Browse entries in the PDBbind-CN Database
HEADER 3KTR_COMPLEX COMPND 3KTR_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 81 SER PRO LEU THR ALA SER MET LEU ALA SER ALA PRO PRO SEQRES 2 A 81 GLN GLU GLN LYS GLN MET LEU GLY GLU ARG LEU PHE PRO SEQRES 3 A 81 LEU ILE GLN ALA MET HIS PRO THR LEU ALA GLY LYS ILE SEQRES 4 A 81 THR GLY MET LEU LEU GLU ILE ASP ASN SER GLU LEU LEU SEQRES 5 A 81 HIS MET LEU GLU SER PRO GLU SER LEU ARG SER LYS VAL SEQRES 6 A 81 ASP GLU ALA VAL ALA VAL LEU GLN ALA HIS GLN ALA LYS SEQRES 7 A 81 GLU ALA ALA HET CD A 1 1 HET THR A 109 256 ATOM 1 N SER A 543 -16.228 -2.248 -19.887 1.00 45.12 N ATOM 2 CA SER A 543 -14.873 -1.715 -20.216 1.00 45.10 C ATOM 3 C SER A 543 -14.146 -1.250 -18.952 1.00 45.12 C ATOM 4 O SER A 543 -14.268 -0.088 -18.550 1.00 45.29 O ATOM 5 CB SER A 543 -14.975 -0.580 -21.240 1.00 45.02 C ATOM 6 OG SER A 543 -13.694 -0.085 -21.592 1.00 45.48 O ATOM 7 HA SER A 543 -14.288 -2.521 -20.659 1.00 0.00 H ATOM 8 HB2 SER A 543 -15.564 0.232 -20.813 1.00 0.00 H ATOM 9 HB3 SER A 543 -15.470 -0.954 -22.136 1.00 0.00 H ATOM 10 HG SER A 543 -13.241 0.261 -20.782 1.00 0.00 H ATOM 11 HN3 SER A 543 -16.792 -1.502 -19.432 1.00 0.00 H ATOM 12 HN2 SER A 543 -16.133 -3.056 -19.239 1.00 0.00 H ATOM 13 HN1 SER A 543 -16.700 -2.556 -20.761 1.00 0.00 H ATOM 14 N PRO A 544 -13.390 -2.160 -18.311 1.00 45.05 N ATOM 15 CA PRO A 544 -12.624 -1.793 -17.121 1.00 44.80 C ATOM 16 C PRO A 544 -11.465 -0.835 -17.410 1.00 44.50 C ATOM 17 O PRO A 544 -11.004 -0.720 -18.549 1.00 44.51 O ATOM 18 CB PRO A 544 -12.088 -3.142 -16.613 1.00 45.08 C ATOM 19 CG PRO A 544 -12.936 -4.192 -17.297 1.00 45.17 C ATOM 20 CD PRO A 544 -13.234 -3.590 -18.635 1.00 45.17 C ATOM 21 HA PRO A 544 -13.245 -1.257 -16.403 1.00 0.00 H ATOM 22 HD3 PRO A 544 -12.411 -3.749 -19.332 1.00 0.00 H ATOM 23 HD2 PRO A 544 -14.151 -4.001 -19.058 1.00 0.00 H ATOM 24 HG3 PRO A 544 -13.854 -4.374 -16.739 1.00 0.00 H ATOM 25 HG2 PRO A 544 -12.386 -5.127 -17.405 1.00 0.00 H ATOM 26 HB2 PRO A 544 -11.039 -3.263 -16.883 1.00 0.00 H ATOM 27 HB3 PRO A 544 -12.193 -3.212 -15.530 1.00 0.00 H ATOM 28 N LEU A 545 -11.024 -0.138 -16.370 1.00 43.82 N ATOM 29 CA LEU A 545 -9.873 0.743 -16.460 1.00 43.18 C ATOM 30 C LEU A 545 -8.614 -0.097 -16.362 1.00 42.82 C ATOM 31 O LEU A 545 -8.476 -0.915 -15.452 1.00 42.66 O ATOM 32 CB LEU A 545 -9.917 1.769 -15.326 1.00 43.08 C ATOM 33 CG LEU A 545 -8.843 2.852 -15.268 1.00 43.89 C ATOM 34 CD1 LEU A 545 -8.850 3.728 -16.519 1.00 41.38 C ATOM 35 CD2 LEU A 545 -9.070 3.706 -14.041 1.00 43.92 C ATOM 36 HA LEU A 545 -9.883 1.279 -17.409 1.00 0.00 H ATOM 37 HB2 LEU A 545 -10.880 2.276 -15.390 1.00 0.00 H ATOM 38 HB3 LEU A 545 -9.862 1.214 -14.390 1.00 0.00 H ATOM 39 HG LEU A 545 -7.869 2.365 -15.216 1.00 0.00 H ATOM 40 HD21 LEU A 545 -10.056 4.168 -14.099 1.00 0.00 H ATOM 41 HD22 LEU A 545 -9.012 3.082 -13.149 1.00 0.00 H ATOM 42 HD23 LEU A 545 -8.306 4.482 -13.994 1.00 0.00 H ATOM 43 HD11 LEU A 545 -8.664 3.108 -17.396 1.00 0.00 H ATOM 44 HD12 LEU A 545 -9.821 4.214 -16.615 1.00 0.00 H ATOM 45 HD13 LEU A 545 -8.070 4.485 -16.435 1.00 0.00 H ATOM 46 H LEU A 545 -11.520 -0.226 -15.460 1.00 0.00 H ATOM 47 N THR A 546 -7.708 0.082 -17.317 1.00 42.25 N ATOM 48 CA THR A 546 -6.456 -0.670 -17.316 1.00 42.38 C ATOM 49 C THR A 546 -5.258 0.282 -17.225 1.00 42.38 C ATOM 50 O THR A 546 -5.378 1.471 -17.543 1.00 41.75 O ATOM 51 CB THR A 546 -6.357 -1.634 -18.534 1.00 42.49 C ATOM 52 OG1 THR A 546 -5.322 -2.599 -18.300 1.00 43.79 O ATOM 53 CG2 THR A 546 -6.075 -0.877 -19.828 1.00 41.60 C ATOM 54 HA THR A 546 -6.441 -1.303 -16.429 1.00 0.00 H ATOM 55 HB THR A 546 -7.317 -2.138 -18.645 1.00 0.00 H ATOM 56 HG1 THR A 546 -5.261 -3.211 -19.076 1.00 0.00 H ATOM 57 HG23 THR A 546 -6.865 -0.146 -19.999 1.00 0.00 H ATOM 58 HG21 THR A 546 -5.116 -0.365 -19.746 1.00 0.00 H ATOM 59 HG22 THR A 546 -6.043 -1.581 -20.660 1.00 0.00 H ATOM 60 H THR A 546 -7.893 0.768 -18.077 1.00 0.00 H ATOM 61 N ALA A 547 -4.123 -0.249 -16.768 1.00 42.52 N ATOM 62 CA ALA A 547 -2.887 0.524 -16.602 1.00 42.92 C ATOM 63 C ALA A 547 -2.402 1.142 -17.917 1.00 43.20 C ATOM 64 O ALA A 547 -1.823 2.238 -17.917 1.00 43.21 O ATOM 65 CB ALA A 547 -1.797 -0.355 -15.995 1.00 42.79 C ATOM 66 HA ALA A 547 -3.109 1.349 -15.925 1.00 0.00 H ATOM 67 HB1 ALA A 547 -2.126 -0.719 -15.022 1.00 0.00 H ATOM 68 HB2 ALA A 547 -1.605 -1.201 -16.655 1.00 0.00 H ATOM 69 HB3 ALA A 547 -0.885 0.230 -15.877 1.00 0.00 H ATOM 70 H ALA A 547 -4.114 -1.258 -16.518 1.00 0.00 H ATOM 71 N SER A 548 -2.635 0.430 -19.024 1.00 43.44 N ATOM 72 CA SER A 548 -2.343 0.935 -20.369 1.00 43.75 C ATOM 73 C SER A 548 -3.274 2.076 -20.802 1.00 44.03 C ATOM 74 O SER A 548 -2.829 3.020 -21.467 1.00 44.42 O ATOM 75 CB SER A 548 -2.373 -0.198 -21.397 1.00 43.85 C ATOM 76 OG SER A 548 -1.224 -1.018 -21.275 1.00 43.28 O ATOM 77 HA SER A 548 -1.337 1.351 -20.325 1.00 0.00 H ATOM 78 HB2 SER A 548 -2.403 0.229 -22.399 1.00 0.00 H ATOM 79 HB3 SER A 548 -3.264 -0.804 -21.235 1.00 0.00 H ATOM 80 HG SER A 548 -1.264 -1.743 -21.948 1.00 0.00 H ATOM 81 H SER A 548 -3.041 -0.523 -18.927 1.00 0.00 H ATOM 82 N MET A 549 -4.557 1.984 -20.439 1.00 44.11 N ATOM 83 CA MET A 549 -5.507 3.087 -20.642 1.00 44.20 C ATOM 84 C MET A 549 -4.989 4.360 -19.971 1.00 43.86 C ATOM 85 O MET A 549 -4.950 5.434 -20.584 1.00 43.43 O ATOM 86 CB MET A 549 -6.901 2.739 -20.085 1.00 44.19 C ATOM 87 CG MET A 549 -7.959 2.383 -21.131 1.00 44.88 C ATOM 88 SD MET A 549 -9.650 2.144 -20.488 1.00 45.40 S ATOM 89 CE MET A 549 -9.970 3.745 -19.758 1.00 44.94 C ATOM 90 HA MET A 549 -5.599 3.252 -21.716 1.00 0.00 H ATOM 91 HB2 MET A 549 -6.792 1.887 -19.414 1.00 0.00 H ATOM 92 HB3 MET A 549 -7.262 3.599 -19.521 1.00 0.00 H ATOM 93 HG2 MET A 549 -7.651 1.458 -21.619 1.00 0.00 H ATOM 94 HG3 MET A 549 -7.989 3.188 -21.866 1.00 0.00 H ATOM 95 HE1 MET A 549 -9.233 3.942 -18.980 1.00 0.00 H ATOM 96 HE2 MET A 549 -9.902 4.514 -20.528 1.00 0.00 H ATOM 97 HE3 MET A 549 -10.970 3.751 -19.323 1.00 0.00 H ATOM 98 H MET A 549 -4.894 1.104 -19.999 1.00 0.00 H ATOM 99 N LEU A 550 -4.586 4.224 -18.710 1.00 43.62 N ATOM 100 CA LEU A 550 -4.085 5.353 -17.922 1.00 43.48 C ATOM 101 C LEU A 550 -2.807 5.946 -18.507 1.00 43.56 C ATOM 102 O LEU A 550 -2.598 7.159 -18.443 1.00 43.33 O ATOM 103 CB LEU A 550 -3.846 4.923 -16.475 1.00 43.67 C ATOM 104 CG LEU A 550 -5.106 4.620 -15.668 1.00 43.53 C ATOM 105 CD1 LEU A 550 -4.777 3.760 -14.486 1.00 45.84 C ATOM 106 CD2 LEU A 550 -5.758 5.929 -15.223 1.00 43.05 C ATOM 107 HA LEU A 550 -4.849 6.130 -17.952 1.00 0.00 H ATOM 108 HB2 LEU A 550 -3.230 4.024 -16.488 1.00 0.00 H ATOM 109 HB3 LEU A 550 -3.307 5.724 -15.970 1.00 0.00 H ATOM 110 HG LEU A 550 -5.810 4.073 -16.295 1.00 0.00 H ATOM 111 HD21 LEU A 550 -5.058 6.490 -14.605 1.00 0.00 H ATOM 112 HD22 LEU A 550 -6.023 6.518 -16.101 1.00 0.00 H ATOM 113 HD23 LEU A 550 -6.657 5.708 -14.647 1.00 0.00 H ATOM 114 HD11 LEU A 550 -4.342 2.822 -14.831 1.00 0.00 H ATOM 115 HD12 LEU A 550 -4.063 4.280 -13.847 1.00 0.00 H ATOM 116 HD13 LEU A 550 -5.687 3.555 -13.923 1.00 0.00 H ATOM 117 H LEU A 550 -4.628 3.283 -18.268 1.00 0.00 H ATOM 118 N ALA A 551 -1.957 5.088 -19.067 1.00 43.30 N ATOM 119 CA ALA A 551 -0.708 5.527 -19.668 1.00 43.43 C ATOM 120 C ALA A 551 -0.936 6.475 -20.850 1.00 43.48 C ATOM 121 O ALA A 551 -0.069 7.292 -21.169 1.00 43.80 O ATOM 122 CB ALA A 551 0.141 4.329 -20.093 1.00 43.32 C ATOM 123 HA ALA A 551 -0.166 6.087 -18.906 1.00 0.00 H ATOM 124 HB1 ALA A 551 0.367 3.717 -19.220 1.00 0.00 H ATOM 125 HB2 ALA A 551 -0.410 3.735 -20.822 1.00 0.00 H ATOM 126 HB3 ALA A 551 1.070 4.684 -20.540 1.00 0.00 H ATOM 127 H ALA A 551 -2.193 4.075 -19.075 1.00 0.00 H ATOM 128 N SER A 552 -2.108 6.378 -21.480 1.00 43.00 N ATOM 129 CA SER A 552 -2.442 7.244 -22.620 1.00 42.35 C ATOM 130 C SER A 552 -2.769 8.686 -22.214 1.00 41.62 C ATOM 131 O SER A 552 -2.982 9.543 -23.082 1.00 41.68 O ATOM 132 CB SER A 552 -3.612 6.660 -23.422 1.00 42.39 C ATOM 133 OG SER A 552 -3.298 5.376 -23.916 1.00 42.42 O ATOM 134 HA SER A 552 -1.546 7.279 -23.239 1.00 0.00 H ATOM 135 HB2 SER A 552 -3.834 7.320 -24.261 1.00 0.00 H ATOM 136 HB3 SER A 552 -4.487 6.589 -22.776 1.00 0.00 H ATOM 137 HG SER A 552 -3.100 4.771 -23.158 1.00 0.00 H ATOM 138 H SER A 552 -2.801 5.673 -21.157 1.00 0.00 H ATOM 139 N ALA A 553 -2.802 8.955 -20.908 1.00 40.62 N ATOM 140 CA ALA A 553 -3.332 10.221 -20.427 1.00 39.25 C ATOM 141 C ALA A 553 -2.359 11.054 -19.600 1.00 38.54 C ATOM 142 O ALA A 553 -1.515 10.501 -18.883 1.00 39.51 O ATOM 143 CB ALA A 553 -4.626 9.971 -19.647 1.00 39.21 C ATOM 144 HA ALA A 553 -3.526 10.822 -21.316 1.00 0.00 H ATOM 145 HB1 ALA A 553 -5.357 9.496 -20.301 1.00 0.00 H ATOM 146 HB2 ALA A 553 -4.417 9.319 -18.799 1.00 0.00 H ATOM 147 HB3 ALA A 553 -5.021 10.921 -19.288 1.00 0.00 H ATOM 148 H ALA A 553 -2.446 8.253 -20.228 1.00 0.00 H ATOM 149 N PRO A 554 -2.470 12.398 -19.693 1.00 37.04 N ATOM 150 CA PRO A 554 -1.809 13.304 -18.752 1.00 36.55 C ATOM 151 C PRO A 554 -2.107 12.929 -17.286 1.00 35.69 C ATOM 152 O PRO A 554 -3.219 12.490 -16.973 1.00 36.09 O ATOM 153 CB PRO A 554 -2.458 14.651 -19.060 1.00 36.84 C ATOM 154 CG PRO A 554 -2.811 14.571 -20.471 1.00 36.85 C ATOM 155 CD PRO A 554 -3.211 13.146 -20.724 1.00 36.91 C ATOM 156 HA PRO A 554 -0.725 13.283 -18.859 1.00 0.00 H ATOM 157 HD3 PRO A 554 -4.286 13.015 -20.605 1.00 0.00 H ATOM 158 HD2 PRO A 554 -2.916 12.829 -21.724 1.00 0.00 H ATOM 159 HG3 PRO A 554 -1.955 14.839 -21.090 1.00 0.00 H ATOM 160 HG2 PRO A 554 -3.642 15.242 -20.691 1.00 0.00 H ATOM 161 HB2 PRO A 554 -3.347 14.800 -18.448 1.00 0.00 H ATOM 162 HB3 PRO A 554 -1.757 15.466 -18.884 1.00 0.00 H ATOM 163 N PRO A 555 -1.122 13.101 -16.396 1.00 34.68 N ATOM 164 CA PRO A 555 -1.292 12.866 -14.955 1.00 32.64 C ATOM 165 C PRO A 555 -2.601 13.397 -14.334 1.00 31.55 C ATOM 166 O PRO A 555 -3.239 12.693 -13.538 1.00 32.21 O ATOM 167 CB PRO A 555 -0.063 13.561 -14.328 1.00 33.01 C ATOM 168 CG PRO A 555 0.773 14.043 -15.454 1.00 34.53 C ATOM 169 CD PRO A 555 0.263 13.489 -16.734 1.00 34.00 C ATOM 170 HA PRO A 555 -1.363 11.796 -14.762 1.00 0.00 H ATOM 171 HD3 PRO A 555 0.279 14.242 -17.522 1.00 0.00 H ATOM 172 HD2 PRO A 555 0.847 12.624 -17.048 1.00 0.00 H ATOM 173 HG3 PRO A 555 1.803 13.719 -15.304 1.00 0.00 H ATOM 174 HG2 PRO A 555 0.737 15.132 -15.491 1.00 0.00 H ATOM 175 HB2 PRO A 555 -0.380 14.400 -13.709 1.00 0.00 H ATOM 176 HB3 PRO A 555 0.499 12.853 -13.718 1.00 0.00 H ATOM 177 N GLN A 556 -3.007 14.622 -14.657 1.00 27.41 N ATOM 178 CA GLN A 556 -4.219 15.138 -14.026 1.00 24.82 C ATOM 179 C GLN A 556 -5.448 14.366 -14.524 1.00 21.44 C ATOM 180 O GLN A 556 -6.390 14.100 -13.759 1.00 20.56 O ATOM 181 CB GLN A 556 -4.384 16.637 -14.237 1.00 25.57 C ATOM 182 CG GLN A 556 -5.085 17.326 -13.062 1.00 28.61 C ATOM 183 CD GLN A 556 -4.145 17.667 -11.907 1.00 30.84 C ATOM 184 OE1 GLN A 556 -3.687 18.807 -11.784 1.00 33.29 O ATOM 185 NE2 GLN A 556 -3.867 16.687 -11.047 1.00 31.20 N ATOM 186 HA GLN A 556 -4.124 14.984 -12.951 1.00 0.00 H ATOM 187 HB2 GLN A 556 -3.397 17.082 -14.364 1.00 0.00 H ATOM 188 HB3 GLN A 556 -4.974 16.800 -15.139 1.00 0.00 H ATOM 189 HG2 GLN A 556 -5.537 18.250 -13.423 1.00 0.00 H ATOM 190 HG3 GLN A 556 -5.865 16.663 -12.688 1.00 0.00 H ATOM 191 HE22 GLN A 556 -4.274 15.740 -11.188 1.00 0.00 H ATOM 192 HE21 GLN A 556 -3.243 16.869 -10.235 1.00 0.00 H ATOM 193 H GLN A 556 -2.475 15.197 -15.341 1.00 0.00 H ATOM 194 N GLU A 557 -5.417 13.969 -15.791 1.00 18.33 N ATOM 195 CA GLU A 557 -6.553 13.218 -16.362 1.00 15.91 C ATOM 196 C GLU A 557 -6.576 11.816 -15.765 1.00 16.36 C ATOM 197 O GLU A 557 -7.645 11.259 -15.507 1.00 15.34 O ATOM 198 CB GLU A 557 -6.451 13.135 -17.881 1.00 16.69 C ATOM 199 CG GLU A 557 -6.933 14.392 -18.592 1.00 17.28 C ATOM 200 CD GLU A 557 -6.881 14.250 -20.097 1.00 21.15 C ATOM 201 OE1 GLU A 557 -6.480 13.163 -20.563 1.00 25.03 O ATOM 202 OE2 GLU A 557 -7.185 15.225 -20.826 1.00 20.68 O ATOM 203 HA GLU A 557 -7.477 13.742 -16.117 1.00 0.00 H ATOM 204 HB2 GLU A 557 -5.408 12.966 -18.148 1.00 0.00 H ATOM 205 HB3 GLU A 557 -7.053 12.293 -18.222 1.00 0.00 H ATOM 206 HG2 GLU A 557 -7.962 14.593 -18.293 1.00 0.00 H ATOM 207 HG3 GLU A 557 -6.300 15.228 -18.296 1.00 0.00 H ATOM 208 H GLU A 557 -4.590 14.188 -16.383 1.00 0.00 H ATOM 209 N GLN A 558 -5.391 11.245 -15.551 1.00 15.78 N ATOM 210 CA GLN A 558 -5.328 9.931 -14.907 1.00 16.38 C ATOM 211 C GLN A 558 -6.024 9.934 -13.538 1.00 16.75 C ATOM 212 O GLN A 558 -6.753 8.969 -13.214 1.00 16.76 O ATOM 213 CB GLN A 558 -3.889 9.448 -14.752 1.00 17.00 C ATOM 214 CG GLN A 558 -3.144 9.259 -16.030 1.00 16.42 C ATOM 215 CD GLN A 558 -1.802 8.588 -15.804 1.00 19.33 C ATOM 216 OE1 GLN A 558 -1.568 7.970 -14.759 1.00 21.10 O ATOM 217 NE2 GLN A 558 -0.907 8.724 -16.772 1.00 21.65 N ATOM 218 HA GLN A 558 -5.858 9.240 -15.563 1.00 0.00 H ATOM 219 HB2 GLN A 558 -3.350 10.180 -14.151 1.00 0.00 H ATOM 220 HB3 GLN A 558 -3.908 8.493 -14.227 1.00 0.00 H ATOM 221 HG2 GLN A 558 -3.741 8.639 -16.699 1.00 0.00 H ATOM 222 HG3 GLN A 558 -2.979 10.233 -16.490 1.00 0.00 H ATOM 223 HE22 GLN A 558 -1.150 9.253 -17.634 1.00 0.00 H ATOM 224 HE21 GLN A 558 0.038 8.302 -16.670 1.00 0.00 H ATOM 225 H GLN A 558 -4.517 11.729 -15.839 1.00 0.00 H ATOM 226 N LYS A 559 -5.820 10.999 -12.742 1.00 16.78 N ATOM 227 CA LYS A 559 -6.502 11.114 -11.427 1.00 17.56 C ATOM 228 C LYS A 559 -8.017 11.108 -11.616 1.00 17.01 C ATOM 229 O LYS A 559 -8.743 10.429 -10.883 1.00 17.71 O ATOM 230 CB LYS A 559 -6.101 12.391 -10.681 1.00 16.61 C ATOM 231 CG LYS A 559 -4.673 12.424 -10.246 1.00 19.01 C ATOM 232 CD LYS A 559 -4.491 11.505 -9.076 1.00 16.03 C ATOM 233 CE LYS A 559 -3.110 11.706 -8.513 1.00 14.25 C ATOM 234 NZ LYS A 559 -2.729 10.620 -7.640 1.00 15.05 N ATOM 235 HA LYS A 559 -6.192 10.256 -10.831 1.00 0.00 H ATOM 236 HB2 LYS A 559 -6.278 13.241 -11.339 1.00 0.00 H ATOM 237 HB3 LYS A 559 -6.730 12.482 -9.796 1.00 0.00 H ATOM 238 HG2 LYS A 559 -4.034 12.099 -11.067 1.00 0.00 H ATOM 239 HG3 LYS A 559 -4.403 13.440 -9.957 1.00 0.00 H ATOM 240 HD2 LYS A 559 -5.235 11.732 -8.312 1.00 0.00 H ATOM 241 HD3 LYS A 559 -4.608 10.471 -9.400 1.00 0.00 H ATOM 242 HE2 LYS A 559 -3.090 12.638 -7.948 1.00 0.00 H ATOM 243 HE3 LYS A 559 -2.397 11.766 -9.336 1.00 0.00 H ATOM 244 HZ1 LYS A 559 -3.401 10.561 -6.849 1.00 0.00 H ATOM 245 HZ2 LYS A 559 -2.740 9.728 -8.174 1.00 0.00 H ATOM 246 HZ3 LYS A 559 -1.772 10.793 -7.271 1.00 0.00 H ATOM 247 H LYS A 559 -5.175 11.754 -13.052 1.00 0.00 H ATOM 248 N GLN A 560 -8.490 11.863 -12.599 1.00 15.77 N ATOM 249 CA GLN A 560 -9.919 11.963 -12.847 1.00 15.85 C ATOM 250 C GLN A 560 -10.456 10.592 -13.265 1.00 15.77 C ATOM 251 O GLN A 560 -11.538 10.184 -12.829 1.00 16.26 O ATOM 252 CB GLN A 560 -10.240 13.023 -13.904 1.00 15.55 C ATOM 253 CG GLN A 560 -11.762 13.286 -14.123 1.00 16.71 C ATOM 254 CD GLN A 560 -12.508 13.903 -12.927 1.00 17.46 C ATOM 255 OE1 GLN A 560 -11.944 14.674 -12.130 1.00 18.58 O ATOM 256 NE2 GLN A 560 -13.812 13.605 -12.834 1.00 17.44 N ATOM 257 HA GLN A 560 -10.409 12.279 -11.926 1.00 0.00 H ATOM 258 HB2 GLN A 560 -9.774 13.960 -13.598 1.00 0.00 H ATOM 259 HB3 GLN A 560 -9.812 12.698 -14.852 1.00 0.00 H ATOM 260 HG2 GLN A 560 -11.867 13.964 -14.970 1.00 0.00 H ATOM 261 HG3 GLN A 560 -12.237 12.334 -14.360 1.00 0.00 H ATOM 262 HE22 GLN A 560 -14.247 12.956 -13.520 1.00 0.00 H ATOM 263 HE21 GLN A 560 -14.388 14.023 -12.076 1.00 0.00 H ATOM 264 H GLN A 560 -7.828 12.392 -13.202 1.00 0.00 H ATOM 265 N MET A 561 -9.713 9.898 -14.126 1.00 16.03 N ATOM 266 CA MET A 561 -10.123 8.591 -14.620 1.00 16.26 C ATOM 267 C MET A 561 -10.222 7.597 -13.471 1.00 16.96 C ATOM 268 O MET A 561 -11.159 6.822 -13.400 1.00 17.21 O ATOM 269 CB MET A 561 -9.121 8.075 -15.654 1.00 16.32 C ATOM 270 CG MET A 561 -9.197 8.896 -16.972 1.00 17.40 C ATOM 271 SD MET A 561 -7.834 8.526 -18.095 1.00 22.15 S ATOM 272 CE MET A 561 -8.005 6.793 -18.140 1.00 18.77 C ATOM 273 HA MET A 561 -11.101 8.695 -15.089 1.00 0.00 H ATOM 274 HB2 MET A 561 -8.114 8.154 -15.244 1.00 0.00 H ATOM 275 HB3 MET A 561 -9.342 7.030 -15.873 1.00 0.00 H ATOM 276 HG2 MET A 561 -9.169 9.957 -16.725 1.00 0.00 H ATOM 277 HG3 MET A 561 -10.137 8.666 -17.474 1.00 0.00 H ATOM 278 HE1 MET A 561 -7.888 6.391 -17.133 1.00 0.00 H ATOM 279 HE2 MET A 561 -8.993 6.536 -18.522 1.00 0.00 H ATOM 280 HE3 MET A 561 -7.241 6.371 -18.792 1.00 0.00 H ATOM 281 H MET A 561 -8.813 10.302 -14.455 1.00 0.00 H ATOM 282 N LEU A 562 -9.217 7.620 -12.602 1.00 15.64 N ATOM 283 CA LEU A 562 -9.211 6.754 -11.411 1.00 15.46 C ATOM 284 C LEU A 562 -10.387 7.094 -10.503 1.00 15.84 C ATOM 285 O LEU A 562 -11.112 6.175 -10.020 1.00 16.34 O ATOM 286 CB LEU A 562 -7.878 6.875 -10.667 1.00 14.95 C ATOM 287 CG LEU A 562 -6.806 6.148 -11.445 1.00 15.80 C ATOM 288 CD1 LEU A 562 -5.417 6.583 -10.935 1.00 18.19 C ATOM 289 CD2 LEU A 562 -7.050 4.669 -11.193 1.00 15.18 C ATOM 290 HA LEU A 562 -9.321 5.717 -11.729 1.00 0.00 H ATOM 291 HB2 LEU A 562 -7.609 7.927 -10.570 1.00 0.00 H ATOM 292 HB3 LEU A 562 -7.972 6.433 -9.675 1.00 0.00 H ATOM 293 HG LEU A 562 -6.838 6.369 -12.512 1.00 0.00 H ATOM 294 HD21 LEU A 562 -6.973 4.466 -10.125 1.00 0.00 H ATOM 295 HD22 LEU A 562 -8.047 4.402 -11.544 1.00 0.00 H ATOM 296 HD23 LEU A 562 -6.305 4.082 -11.730 1.00 0.00 H ATOM 297 HD11 LEU A 562 -5.301 7.658 -11.073 1.00 0.00 H ATOM 298 HD12 LEU A 562 -5.327 6.339 -9.876 1.00 0.00 H ATOM 299 HD13 LEU A 562 -4.644 6.058 -11.497 1.00 0.00 H ATOM 300 H LEU A 562 -8.417 8.264 -12.767 1.00 0.00 H ATOM 301 N GLY A 563 -10.622 8.391 -10.295 1.00 15.45 N ATOM 302 CA GLY A 563 -11.735 8.823 -9.425 1.00 16.02 C ATOM 303 C GLY A 563 -13.080 8.365 -9.969 1.00 15.36 C ATOM 304 O GLY A 563 -13.972 7.983 -9.182 1.00 15.61 O ATOM 305 HA3 GLY A 563 -11.731 9.911 -9.359 1.00 0.00 H ATOM 306 HA2 GLY A 563 -11.592 8.400 -8.431 1.00 0.00 H ATOM 307 H GLY A 563 -10.016 9.104 -10.749 1.00 0.00 H ATOM 308 N GLU A 564 -13.254 8.401 -11.301 1.00 15.50 N ATOM 309 CA GLU A 564 -14.512 7.960 -11.912 1.00 16.21 C ATOM 310 C GLU A 564 -14.852 6.519 -11.574 1.00 16.02 C ATOM 311 O GLU A 564 -16.032 6.200 -11.407 1.00 16.71 O ATOM 312 CB GLU A 564 -14.507 8.146 -13.445 1.00 16.90 C ATOM 313 CG GLU A 564 -14.349 9.575 -13.896 1.00 22.00 C ATOM 314 CD GLU A 564 -15.568 10.476 -13.668 1.00 25.23 C ATOM 315 OE1 GLU A 564 -16.561 10.091 -12.987 1.00 28.33 O ATOM 316 OE2 GLU A 564 -15.516 11.611 -14.193 1.00 25.01 O ATOM 317 HA GLU A 564 -15.284 8.599 -11.484 1.00 0.00 H ATOM 318 HB2 GLU A 564 -13.682 7.565 -13.857 1.00 0.00 H ATOM 319 HB3 GLU A 564 -15.450 7.766 -13.838 1.00 0.00 H ATOM 320 HG2 GLU A 564 -13.506 10.007 -13.357 1.00 0.00 H ATOM 321 HG3 GLU A 564 -14.131 9.569 -14.964 1.00 0.00 H ATOM 322 H GLU A 564 -12.484 8.747 -11.908 1.00 0.00 H ATOM 323 N ARG A 565 -13.831 5.662 -11.472 1.00 15.95 N ATOM 324 CA ARG A 565 -14.062 4.252 -11.174 1.00 15.93 C ATOM 325 C ARG A 565 -14.228 4.028 -9.678 1.00 14.41 C ATOM 326 O ARG A 565 -15.007 3.178 -9.238 1.00 13.80 O ATOM 327 CB ARG A 565 -12.924 3.368 -11.713 1.00 16.43 C ATOM 328 CG ARG A 565 -12.634 3.564 -13.201 1.00 18.31 C ATOM 329 CD ARG A 565 -13.890 3.392 -14.064 1.00 22.94 C ATOM 330 NE ARG A 565 -13.536 3.310 -15.488 1.00 25.77 N ATOM 331 CZ ARG A 565 -13.608 2.206 -16.228 1.00 27.59 C ATOM 332 NH1 ARG A 565 -14.041 1.059 -15.704 1.00 27.55 N ATOM 333 NH2 ARG A 565 -13.263 2.250 -17.507 1.00 28.34 N ATOM 334 HA ARG A 565 -14.986 3.966 -11.676 1.00 0.00 H ATOM 335 HB2 ARG A 565 -12.017 3.598 -11.154 1.00 0.00 H ATOM 336 HB3 ARG A 565 -13.194 2.325 -11.551 1.00 0.00 H ATOM 337 HG2 ARG A 565 -12.239 4.568 -13.352 1.00 0.00 H ATOM 338 HG3 ARG A 565 -11.890 2.831 -13.513 1.00 0.00 H ATOM 339 HD2 ARG A 565 -14.551 4.245 -13.908 1.00 0.00 H ATOM 340 HD3 ARG A 565 -14.404 2.477 -13.770 1.00 0.00 H ATOM 341 HE ARG A 565 -13.204 4.180 -15.952 1.00 0.00 H ATOM 342 HH12 ARG A 565 -14.092 0.204 -16.294 1.00 0.00 H ATOM 343 HH11 ARG A 565 -14.328 1.019 -14.705 1.00 0.00 H ATOM 344 HH22 ARG A 565 -13.317 1.391 -18.090 1.00 0.00 H ATOM 345 HH21 ARG A 565 -12.938 3.144 -17.927 1.00 0.00 H ATOM 346 H ARG A 565 -12.858 6.005 -11.607 1.00 0.00 H ATOM 347 N LEU A 566 -13.474 4.782 -8.898 1.00 15.71 N ATOM 348 CA LEU A 566 -13.550 4.664 -7.446 1.00 16.42 C ATOM 349 C LEU A 566 -14.842 5.227 -6.827 1.00 16.93 C ATOM 350 O LEU A 566 -15.366 4.695 -5.846 1.00 16.24 O ATOM 351 CB LEU A 566 -12.355 5.343 -6.794 1.00 17.99 C ATOM 352 CG LEU A 566 -11.032 4.597 -6.943 1.00 20.67 C ATOM 353 CD1 LEU A 566 -9.892 5.536 -6.687 1.00 21.92 C ATOM 354 CD2 LEU A 566 -10.985 3.372 -5.998 1.00 22.01 C ATOM 355 HA LEU A 566 -13.548 3.592 -7.248 1.00 0.00 H ATOM 356 HB2 LEU A 566 -12.240 6.330 -7.242 1.00 0.00 H ATOM 357 HB3 LEU A 566 -12.565 5.451 -5.730 1.00 0.00 H ATOM 358 HG LEU A 566 -10.944 4.221 -7.962 1.00 0.00 H ATOM 359 HD21 LEU A 566 -11.087 3.707 -4.966 1.00 0.00 H ATOM 360 HD22 LEU A 566 -11.802 2.694 -6.244 1.00 0.00 H ATOM 361 HD23 LEU A 566 -10.033 2.856 -6.122 1.00 0.00 H ATOM 362 HD11 LEU A 566 -9.929 6.355 -7.405 1.00 0.00 H ATOM 363 HD12 LEU A 566 -9.971 5.934 -5.676 1.00 0.00 H ATOM 364 HD13 LEU A 566 -8.950 4.999 -6.794 1.00 0.00 H ATOM 365 H LEU A 566 -12.819 5.468 -9.324 1.00 0.00 H ATOM 366 N PHE A 567 -15.339 6.312 -7.411 1.00 16.37 N ATOM 367 CA PHE A 567 -16.424 7.049 -6.798 1.00 16.55 C ATOM 368 C PHE A 567 -17.674 6.197 -6.520 1.00 16.49 C ATOM 369 O PHE A 567 -18.182 6.231 -5.405 1.00 16.97 O ATOM 370 CB PHE A 567 -16.789 8.282 -7.641 1.00 16.89 C ATOM 371 CG PHE A 567 -17.910 9.061 -7.052 1.00 15.07 C ATOM 372 CD1 PHE A 567 -17.663 9.986 -6.048 1.00 17.71 C ATOM 373 CD2 PHE A 567 -19.210 8.823 -7.464 1.00 17.26 C ATOM 374 CE1 PHE A 567 -18.721 10.714 -5.447 1.00 18.62 C ATOM 375 CE2 PHE A 567 -20.276 9.516 -6.891 1.00 16.89 C ATOM 376 CZ PHE A 567 -20.022 10.466 -5.864 1.00 18.06 C ATOM 377 HA PHE A 567 -16.054 7.370 -5.824 1.00 0.00 H ATOM 378 HB2 PHE A 567 -15.914 8.928 -7.714 1.00 0.00 H ATOM 379 HB3 PHE A 567 -17.079 7.951 -8.638 1.00 0.00 H ATOM 380 HD2 PHE A 567 -19.402 8.086 -8.244 1.00 0.00 H ATOM 381 HE2 PHE A 567 -21.296 9.331 -7.228 1.00 0.00 H ATOM 382 HZ PHE A 567 -20.852 11.002 -5.402 1.00 0.00 H ATOM 383 HE1 PHE A 567 -18.517 11.454 -4.673 1.00 0.00 H ATOM 384 HD1 PHE A 567 -16.639 10.156 -5.716 1.00 0.00 H ATOM 385 H PHE A 567 -14.945 6.635 -8.318 1.00 0.00 H ATOM 386 N PRO A 568 -18.190 5.457 -7.534 1.00 17.18 N ATOM 387 CA PRO A 568 -19.400 4.653 -7.249 1.00 16.55 C ATOM 388 C PRO A 568 -19.219 3.664 -6.082 1.00 16.35 C ATOM 389 O PRO A 568 -20.183 3.394 -5.336 1.00 16.05 O ATOM 390 CB PRO A 568 -19.669 3.886 -8.549 1.00 17.54 C ATOM 391 CG PRO A 568 -18.628 4.289 -9.519 1.00 18.36 C ATOM 392 CD PRO A 568 -17.726 5.325 -8.921 1.00 17.62 C ATOM 393 HA PRO A 568 -20.221 5.301 -6.943 1.00 0.00 H ATOM 394 HD3 PRO A 568 -16.687 4.996 -8.951 1.00 0.00 H ATOM 395 HD2 PRO A 568 -17.821 6.272 -9.452 1.00 0.00 H ATOM 396 HG3 PRO A 568 -19.106 4.699 -10.409 1.00 0.00 H ATOM 397 HG2 PRO A 568 -18.038 3.415 -9.796 1.00 0.00 H ATOM 398 HB2 PRO A 568 -19.615 2.813 -8.367 1.00 0.00 H ATOM 399 HB3 PRO A 568 -20.657 4.139 -8.934 1.00 0.00 H ATOM 400 N LEU A 569 -18.007 3.137 -5.953 1.00 14.48 N ATOM 401 CA LEU A 569 -17.688 2.187 -4.895 1.00 14.69 C ATOM 402 C LEU A 569 -17.665 2.894 -3.558 1.00 14.65 C ATOM 403 O LEU A 569 -18.224 2.419 -2.577 1.00 15.98 O ATOM 404 CB LEU A 569 -16.360 1.455 -5.151 1.00 14.32 C ATOM 405 CG LEU A 569 -16.255 0.719 -6.510 1.00 15.96 C ATOM 406 CD1 LEU A 569 -14.830 0.118 -6.684 1.00 16.49 C ATOM 407 CD2 LEU A 569 -17.384 -0.307 -6.717 1.00 16.69 C ATOM 408 HA LEU A 569 -18.468 1.426 -4.885 1.00 0.00 H ATOM 409 HB2 LEU A 569 -15.557 2.190 -5.104 1.00 0.00 H ATOM 410 HB3 LEU A 569 -16.224 0.719 -4.359 1.00 0.00 H ATOM 411 HG LEU A 569 -16.400 1.448 -7.307 1.00 0.00 H ATOM 412 HD21 LEU A 569 -17.342 -1.056 -5.926 1.00 0.00 H ATOM 413 HD22 LEU A 569 -18.347 0.203 -6.686 1.00 0.00 H ATOM 414 HD23 LEU A 569 -17.260 -0.792 -7.685 1.00 0.00 H ATOM 415 HD11 LEU A 569 -14.093 0.920 -6.653 1.00 0.00 H ATOM 416 HD12 LEU A 569 -14.634 -0.589 -5.878 1.00 0.00 H ATOM 417 HD13 LEU A 569 -14.769 -0.397 -7.643 1.00 0.00 H ATOM 418 H LEU A 569 -17.264 3.410 -6.627 1.00 0.00 H ATOM 419 N ILE A 570 -16.994 4.038 -3.513 1.00 15.09 N ATOM 420 CA ILE A 570 -16.948 4.830 -2.281 1.00 15.22 C ATOM 421 C ILE A 570 -18.344 5.343 -1.899 1.00 14.88 C ATOM 422 O ILE A 570 -18.717 5.301 -0.725 1.00 15.68 O ATOM 423 CB ILE A 570 -15.887 5.920 -2.411 1.00 14.79 C ATOM 424 CG1 ILE A 570 -14.524 5.234 -2.568 1.00 14.42 C ATOM 425 CG2 ILE A 570 -15.918 6.862 -1.199 1.00 17.48 C ATOM 426 CD1 ILE A 570 -13.429 6.185 -2.970 1.00 17.43 C ATOM 427 HA ILE A 570 -16.644 4.202 -1.443 1.00 0.00 H ATOM 428 HB ILE A 570 -16.083 6.540 -3.286 1.00 0.00 H ATOM 429 HG12 ILE A 570 -14.254 4.775 -1.617 1.00 0.00 H ATOM 430 HG13 ILE A 570 -14.610 4.461 -3.331 1.00 0.00 H ATOM 431 HD11 ILE A 570 -13.681 6.644 -3.926 1.00 0.00 H ATOM 432 HD12 ILE A 570 -13.325 6.959 -2.210 1.00 0.00 H ATOM 433 HD13 ILE A 570 -12.491 5.638 -3.064 1.00 0.00 H ATOM 434 HG21 ILE A 570 -16.899 7.333 -1.131 1.00 0.00 H ATOM 435 HG22 ILE A 570 -15.725 6.290 -0.291 1.00 0.00 H ATOM 436 HG23 ILE A 570 -15.153 7.629 -1.317 1.00 0.00 H ATOM 437 H ILE A 570 -16.496 4.376 -4.361 1.00 0.00 H ATOM 438 N GLN A 571 -19.109 5.821 -2.864 1.00 15.12 N ATOM 439 CA GLN A 571 -20.472 6.296 -2.586 1.00 15.43 C ATOM 440 C GLN A 571 -21.345 5.187 -2.038 1.00 16.37 C ATOM 441 O GLN A 571 -22.229 5.445 -1.227 1.00 16.17 O ATOM 442 CB GLN A 571 -21.106 6.832 -3.854 1.00 14.94 C ATOM 443 CG GLN A 571 -22.506 7.452 -3.643 1.00 17.63 C ATOM 444 CD GLN A 571 -23.102 7.994 -4.936 1.00 17.37 C ATOM 445 OE1 GLN A 571 -23.401 9.169 -5.002 1.00 18.38 O ATOM 446 NE2 GLN A 571 -23.267 7.138 -5.955 1.00 19.55 N ATOM 447 HA GLN A 571 -20.396 7.086 -1.839 1.00 0.00 H ATOM 448 HB2 GLN A 571 -20.450 7.598 -4.268 1.00 0.00 H ATOM 449 HB3 GLN A 571 -21.198 6.011 -4.565 1.00 0.00 H ATOM 450 HG2 GLN A 571 -23.172 6.687 -3.244 1.00 0.00 H ATOM 451 HG3 GLN A 571 -22.423 8.269 -2.926 1.00 0.00 H ATOM 452 HE22 GLN A 571 -22.994 6.140 -5.846 1.00 0.00 H ATOM 453 HE21 GLN A 571 -23.668 7.472 -6.855 1.00 0.00 H ATOM 454 H GLN A 571 -18.741 5.862 -3.836 1.00 0.00 H ATOM 455 N ALA A 572 -21.132 3.951 -2.510 1.00 15.95 N ATOM 456 CA ALA A 572 -21.910 2.801 -1.967 1.00 16.98 C ATOM 457 C ALA A 572 -21.669 2.619 -0.456 1.00 16.95 C ATOM 458 O ALA A 572 -22.579 2.302 0.303 1.00 16.60 O ATOM 459 CB ALA A 572 -21.571 1.536 -2.712 1.00 16.58 C ATOM 460 HA ALA A 572 -22.968 3.019 -2.110 1.00 0.00 H ATOM 461 HB1 ALA A 572 -21.813 1.661 -3.767 1.00 0.00 H ATOM 462 HB2 ALA A 572 -20.507 1.327 -2.604 1.00 0.00 H ATOM 463 HB3 ALA A 572 -22.149 0.708 -2.301 1.00 0.00 H ATOM 464 H ALA A 572 -20.424 3.794 -3.255 1.00 0.00 H ATOM 465 N MET A 573 -20.418 2.806 -0.039 1.00 18.05 N ATOM 466 CA MET A 573 -19.987 2.657 1.335 1.00 20.15 C ATOM 467 C MET A 573 -20.430 3.838 2.200 1.00 19.26 C ATOM 468 O MET A 573 -20.815 3.668 3.358 1.00 19.26 O ATOM 469 CB MET A 573 -18.453 2.487 1.340 1.00 20.44 C ATOM 470 CG MET A 573 -17.971 1.449 0.267 1.00 22.53 C ATOM 471 SD MET A 573 -16.175 1.399 -0.125 1.00 28.55 S ATOM 472 CE MET A 573 -15.730 1.258 1.541 1.00 24.27 C ATOM 473 HA MET A 573 -20.455 1.776 1.773 1.00 0.00 H ATOM 474 HB2 MET A 573 -17.991 3.452 1.129 1.00 0.00 H ATOM 475 HB3 MET A 573 -18.140 2.144 2.326 1.00 0.00 H ATOM 476 HG2 MET A 573 -18.501 1.668 -0.660 1.00 0.00 H ATOM 477 HG3 MET A 573 -18.255 0.458 0.621 1.00 0.00 H ATOM 478 HE1 MET A 573 -16.094 2.128 2.088 1.00 0.00 H ATOM 479 HE2 MET A 573 -16.172 0.353 1.958 1.00 0.00 H ATOM 480 HE3 MET A 573 -14.644 1.205 1.623 1.00 0.00 H ATOM 481 H MET A 573 -19.705 3.076 -0.746 1.00 0.00 H ATOM 482 N HIS A 574 -20.343 5.041 1.635 1.00 18.63 N ATOM 483 CA HIS A 574 -20.614 6.286 2.368 1.00 19.52 C ATOM 484 C HIS A 574 -21.193 7.347 1.447 1.00 19.77 C ATOM 485 O HIS A 574 -20.431 8.197 0.945 1.00 19.51 O ATOM 486 CB HIS A 574 -19.287 6.829 2.895 1.00 19.27 C ATOM 487 CG HIS A 574 -18.685 6.003 3.969 1.00 22.57 C ATOM 488 ND1 HIS A 574 -19.154 6.028 5.261 1.00 23.42 N ATOM 489 CD2 HIS A 574 -17.654 5.127 3.951 1.00 22.09 C ATOM 490 CE1 HIS A 574 -18.446 5.189 5.995 1.00 24.81 C ATOM 491 NE2 HIS A 574 -17.535 4.626 5.222 1.00 23.57 N ATOM 492 HA HIS A 574 -21.322 6.068 3.168 1.00 0.00 H ATOM 493 HB2 HIS A 574 -18.583 6.880 2.065 1.00 0.00 H ATOM 494 HB3 HIS A 574 -19.457 7.832 3.287 1.00 0.00 H ATOM 495 HD2 HIS A 574 -17.036 4.869 3.091 1.00 0.00 H ATOM 496 HE1 HIS A 574 -18.589 4.994 7.058 1.00 0.00 H ATOM 497 H HIS A 574 -20.072 5.102 0.633 1.00 0.00 H ATOM 498 N PRO A 575 -22.516 7.300 1.186 1.00 18.95 N ATOM 499 CA PRO A 575 -23.110 8.197 0.203 1.00 19.66 C ATOM 500 C PRO A 575 -22.885 9.686 0.520 1.00 20.49 C ATOM 501 O PRO A 575 -22.677 10.473 -0.397 1.00 21.42 O ATOM 502 CB PRO A 575 -24.603 7.839 0.259 1.00 19.85 C ATOM 503 CG PRO A 575 -24.626 6.410 0.741 1.00 19.44 C ATOM 504 CD PRO A 575 -23.520 6.383 1.764 1.00 19.95 C ATOM 505 HA PRO A 575 -22.661 8.069 -0.782 1.00 0.00 H ATOM 506 HD3 PRO A 575 -23.871 6.743 2.731 1.00 0.00 H ATOM 507 HD2 PRO A 575 -23.114 5.378 1.878 1.00 0.00 H ATOM 508 HG3 PRO A 575 -24.423 5.717 -0.075 1.00 0.00 H ATOM 509 HG2 PRO A 575 -25.586 6.164 1.194 1.00 0.00 H ATOM 510 HB2 PRO A 575 -25.131 8.490 0.956 1.00 0.00 H ATOM 511 HB3 PRO A 575 -25.057 7.921 -0.728 1.00 0.00 H ATOM 512 N THR A 576 -22.906 10.066 1.794 1.00 20.93 N ATOM 513 CA THR A 576 -22.783 11.495 2.164 1.00 21.84 C ATOM 514 C THR A 576 -21.378 12.043 1.938 1.00 22.40 C ATOM 515 O THR A 576 -21.192 13.153 1.426 1.00 23.21 O ATOM 516 CB THR A 576 -23.135 11.710 3.648 1.00 22.43 C ATOM 517 OG1 THR A 576 -24.462 11.242 3.885 1.00 23.35 O ATOM 518 CG2 THR A 576 -23.023 13.185 4.053 1.00 23.82 C ATOM 519 HA THR A 576 -23.480 12.028 1.517 1.00 0.00 H ATOM 520 HB THR A 576 -22.422 11.149 4.253 1.00 0.00 H ATOM 521 HG1 THR A 576 -24.693 11.378 4.838 1.00 0.00 H ATOM 522 HG23 THR A 576 -22.007 13.535 3.869 1.00 0.00 H ATOM 523 HG21 THR A 576 -23.724 13.776 3.464 1.00 0.00 H ATOM 524 HG22 THR A 576 -23.258 13.288 5.112 1.00 0.00 H ATOM 525 H THR A 576 -23.010 9.350 2.541 1.00 0.00 H ATOM 526 N LEU A 577 -20.391 11.275 2.362 1.00 21.38 N ATOM 527 CA LEU A 577 -19.040 11.765 2.376 1.00 21.87 C ATOM 528 C LEU A 577 -18.318 11.482 1.059 1.00 21.20 C ATOM 529 O LEU A 577 -17.159 11.839 0.924 1.00 20.52 O ATOM 530 CB LEU A 577 -18.297 11.135 3.565 1.00 21.72 C ATOM 531 CG LEU A 577 -18.780 11.428 5.004 1.00 24.05 C ATOM 532 CD1 LEU A 577 -17.806 10.809 6.008 1.00 25.82 C ATOM 533 CD2 LEU A 577 -18.916 12.924 5.254 1.00 24.82 C ATOM 534 HA LEU A 577 -19.058 12.849 2.489 1.00 0.00 H ATOM 535 HB2 LEU A 577 -18.339 10.054 3.430 1.00 0.00 H ATOM 536 HB3 LEU A 577 -17.261 11.467 3.504 1.00 0.00 H ATOM 537 HG LEU A 577 -19.767 10.983 5.131 1.00 0.00 H ATOM 538 HD21 LEU A 577 -17.948 13.405 5.110 1.00 0.00 H ATOM 539 HD22 LEU A 577 -19.639 13.344 4.555 1.00 0.00 H ATOM 540 HD23 LEU A 577 -19.257 13.091 6.276 1.00 0.00 H ATOM 541 HD11 LEU A 577 -17.762 9.731 5.852 1.00 0.00 H ATOM 542 HD12 LEU A 577 -16.815 11.239 5.863 1.00 0.00 H ATOM 543 HD13 LEU A 577 -18.149 11.017 7.021 1.00 0.00 H ATOM 544 H LEU A 577 -20.593 10.308 2.688 1.00 0.00 H ATOM 545 N ALA A 578 -19.006 10.864 0.087 1.00 20.73 N ATOM 546 CA ALA A 578 -18.320 10.261 -1.064 1.00 19.47 C ATOM 547 C ALA A 578 -17.380 11.183 -1.857 1.00 18.42 C ATOM 548 O ALA A 578 -16.270 10.797 -2.144 1.00 18.35 O ATOM 549 CB ALA A 578 -19.324 9.562 -2.013 1.00 20.49 C ATOM 550 HA ALA A 578 -17.657 9.525 -0.609 1.00 0.00 H ATOM 551 HB1 ALA A 578 -19.848 8.776 -1.470 1.00 0.00 H ATOM 552 HB2 ALA A 578 -20.044 10.293 -2.381 1.00 0.00 H ATOM 553 HB3 ALA A 578 -18.784 9.126 -2.854 1.00 0.00 H ATOM 554 H ALA A 578 -20.043 10.811 0.149 1.00 0.00 H ATOM 555 N GLY A 579 -17.831 12.381 -2.197 1.00 17.90 N ATOM 556 CA GLY A 579 -16.983 13.306 -2.948 1.00 17.72 C ATOM 557 C GLY A 579 -15.712 13.655 -2.181 1.00 15.84 C ATOM 558 O GLY A 579 -14.614 13.670 -2.740 1.00 17.94 O ATOM 559 HA3 GLY A 579 -17.542 14.221 -3.141 1.00 0.00 H ATOM 560 HA2 GLY A 579 -16.708 12.843 -3.896 1.00 0.00 H ATOM 561 H GLY A 579 -18.794 12.666 -1.928 1.00 0.00 H ATOM 562 N LYS A 580 -15.857 13.887 -0.886 1.00 15.98 N ATOM 563 CA LYS A 580 -14.723 14.272 -0.076 1.00 16.27 C ATOM 564 C LYS A 580 -13.777 13.117 0.151 1.00 16.09 C ATOM 565 O LYS A 580 -12.572 13.263 0.047 1.00 15.55 O ATOM 566 CB LYS A 580 -15.202 14.862 1.261 1.00 16.20 C ATOM 567 CG LYS A 580 -14.037 15.296 2.167 1.00 19.43 C ATOM 568 CD LYS A 580 -13.180 16.398 1.492 1.00 23.58 C ATOM 569 CE LYS A 580 -13.038 17.618 2.405 1.00 23.18 C ATOM 570 NZ LYS A 580 -11.985 18.568 1.977 1.00 20.26 N ATOM 571 HA LYS A 580 -14.168 15.037 -0.619 1.00 0.00 H ATOM 572 HB2 LYS A 580 -15.827 15.731 1.056 1.00 0.00 H ATOM 573 HB3 LYS A 580 -15.790 14.108 1.785 1.00 0.00 H ATOM 574 HG2 LYS A 580 -14.440 15.682 3.103 1.00 0.00 H ATOM 575 HG3 LYS A 580 -13.406 14.432 2.374 1.00 0.00 H ATOM 576 HD2 LYS A 580 -12.190 15.997 1.275 1.00 0.00 H ATOM 577 HD3 LYS A 580 -13.659 16.703 0.561 1.00 0.00 H ATOM 578 HE2 LYS A 580 -12.799 17.269 3.410 1.00 0.00 H ATOM 579 HE3 LYS A 580 -13.991 18.147 2.423 1.00 0.00 H ATOM 580 HZ1 LYS A 580 -11.065 18.082 1.966 1.00 0.00 H ATOM 581 HZ2 LYS A 580 -12.204 18.920 1.023 1.00 0.00 H ATOM 582 HZ3 LYS A 580 -11.949 19.366 2.643 1.00 0.00 H ATOM 583 H LYS A 580 -16.795 13.791 -0.447 1.00 0.00 H ATOM 584 N ILE A 581 -14.345 11.952 0.441 1.00 15.58 N ATOM 585 CA ILE A 581 -13.513 10.772 0.610 1.00 16.63 C ATOM 586 C ILE A 581 -12.736 10.464 -0.657 1.00 16.70 C ATOM 587 O ILE A 581 -11.539 10.167 -0.580 1.00 16.54 O ATOM 588 CB ILE A 581 -14.328 9.541 1.064 1.00 17.97 C ATOM 589 CG1 ILE A 581 -14.987 9.820 2.403 1.00 17.22 C ATOM 590 CG2 ILE A 581 -13.429 8.290 1.106 1.00 18.02 C ATOM 591 CD1 ILE A 581 -16.089 8.795 2.681 1.00 23.08 C ATOM 592 HA ILE A 581 -12.802 10.999 1.404 1.00 0.00 H ATOM 593 HB ILE A 581 -15.121 9.343 0.343 1.00 0.00 H ATOM 594 HG12 ILE A 581 -14.236 9.763 3.191 1.00 0.00 H ATOM 595 HG13 ILE A 581 -15.422 10.819 2.388 1.00 0.00 H ATOM 596 HD11 ILE A 581 -16.843 8.852 1.896 1.00 0.00 H ATOM 597 HD12 ILE A 581 -15.657 7.795 2.700 1.00 0.00 H ATOM 598 HD13 ILE A 581 -16.550 9.011 3.645 1.00 0.00 H ATOM 599 HG21 ILE A 581 -13.023 8.102 0.112 1.00 0.00 H ATOM 600 HG22 ILE A 581 -12.612 8.455 1.808 1.00 0.00 H ATOM 601 HG23 ILE A 581 -14.018 7.431 1.428 1.00 0.00 H ATOM 602 H ILE A 581 -15.377 11.884 0.546 1.00 0.00 H ATOM 603 N THR A 582 -13.419 10.489 -1.819 1.00 16.05 N ATOM 604 CA THR A 582 -12.727 10.221 -3.079 1.00 17.02 C ATOM 605 C THR A 582 -11.551 11.199 -3.290 1.00 16.80 C ATOM 606 O THR A 582 -10.426 10.796 -3.627 1.00 16.35 O ATOM 607 CB THR A 582 -13.714 10.213 -4.258 1.00 17.09 C ATOM 608 OG1 THR A 582 -14.760 9.286 -3.987 1.00 15.59 O ATOM 609 CG2 THR A 582 -12.996 9.846 -5.574 1.00 18.76 C ATOM 610 HA THR A 582 -12.292 9.223 -3.028 1.00 0.00 H ATOM 611 HB THR A 582 -14.135 11.212 -4.376 1.00 0.00 H ATOM 612 HG1 THR A 582 -15.232 9.556 -3.160 1.00 0.00 H ATOM 613 HG23 THR A 582 -12.200 10.565 -5.765 1.00 0.00 H ATOM 614 HG21 THR A 582 -12.571 8.846 -5.488 1.00 0.00 H ATOM 615 HG22 THR A 582 -13.712 9.868 -6.396 1.00 0.00 H ATOM 616 H THR A 582 -14.438 10.699 -1.819 1.00 0.00 H ATOM 617 N GLY A 583 -11.819 12.481 -3.061 1.00 15.67 N ATOM 618 CA GLY A 583 -10.799 13.531 -3.151 1.00 17.05 C ATOM 619 C GLY A 583 -9.587 13.236 -2.289 1.00 16.93 C ATOM 620 O GLY A 583 -8.412 13.415 -2.706 1.00 17.83 O ATOM 621 HA3 GLY A 583 -11.238 14.474 -2.827 1.00 0.00 H ATOM 622 HA2 GLY A 583 -10.478 13.619 -4.189 1.00 0.00 H ATOM 623 H GLY A 583 -12.791 12.750 -2.808 1.00 0.00 H ATOM 624 N MET A 584 -9.855 12.795 -1.062 1.00 16.28 N ATOM 625 CA MET A 584 -8.772 12.417 -0.142 1.00 16.75 C ATOM 626 C MET A 584 -7.938 11.273 -0.680 1.00 16.67 C ATOM 627 O MET A 584 -6.697 11.356 -0.668 1.00 17.65 O ATOM 628 CB MET A 584 -9.336 12.070 1.251 1.00 15.93 C ATOM 629 CG MET A 584 -9.913 13.304 2.002 1.00 15.15 C ATOM 630 SD MET A 584 -10.750 12.822 3.525 1.00 16.69 S ATOM 631 CE MET A 584 -9.332 12.161 4.423 1.00 15.29 C ATOM 632 HA MET A 584 -8.113 13.281 -0.049 1.00 0.00 H ATOM 633 HB2 MET A 584 -10.131 11.334 1.130 1.00 0.00 H ATOM 634 HB3 MET A 584 -8.535 11.641 1.853 1.00 0.00 H ATOM 635 HG2 MET A 584 -10.625 13.813 1.352 1.00 0.00 H ATOM 636 HG3 MET A 584 -9.096 13.983 2.246 1.00 0.00 H ATOM 637 HE1 MET A 584 -8.902 11.332 3.861 1.00 0.00 H ATOM 638 HE2 MET A 584 -8.584 12.944 4.546 1.00 0.00 H ATOM 639 HE3 MET A 584 -9.656 11.809 5.402 1.00 0.00 H ATOM 640 H MET A 584 -10.844 12.717 -0.750 1.00 0.00 H ATOM 641 N LEU A 585 -8.597 10.245 -1.220 1.00 16.33 N ATOM 642 CA LEU A 585 -7.884 9.058 -1.708 1.00 16.78 C ATOM 643 C LEU A 585 -7.084 9.381 -2.959 1.00 17.41 C ATOM 644 O LEU A 585 -6.040 8.776 -3.209 1.00 17.17 O ATOM 645 CB LEU A 585 -8.845 7.887 -1.964 1.00 16.93 C ATOM 646 CG LEU A 585 -9.043 6.890 -0.810 1.00 17.34 C ATOM 647 CD1 LEU A 585 -9.770 7.520 0.361 1.00 18.48 C ATOM 648 CD2 LEU A 585 -9.806 5.650 -1.291 1.00 17.31 C ATOM 649 HA LEU A 585 -7.189 8.750 -0.927 1.00 0.00 H ATOM 650 HB2 LEU A 585 -9.820 8.307 -2.208 1.00 0.00 H ATOM 651 HB3 LEU A 585 -8.466 7.330 -2.821 1.00 0.00 H ATOM 652 HG LEU A 585 -8.051 6.592 -0.469 1.00 0.00 H ATOM 653 HD21 LEU A 585 -10.783 5.950 -1.670 1.00 0.00 H ATOM 654 HD22 LEU A 585 -9.241 5.163 -2.086 1.00 0.00 H ATOM 655 HD23 LEU A 585 -9.935 4.958 -0.458 1.00 0.00 H ATOM 656 HD11 LEU A 585 -9.191 8.365 0.734 1.00 0.00 H ATOM 657 HD12 LEU A 585 -10.751 7.865 0.035 1.00 0.00 H ATOM 658 HD13 LEU A 585 -9.889 6.781 1.153 1.00 0.00 H ATOM 659 H LEU A 585 -9.633 10.286 -1.296 1.00 0.00 H ATOM 660 N LEU A 586 -7.583 10.337 -3.746 1.00 16.46 N ATOM 661 CA LEU A 586 -6.882 10.714 -4.987 1.00 18.13 C ATOM 662 C LEU A 586 -5.486 11.332 -4.772 1.00 19.27 C ATOM 663 O LEU A 586 -4.717 11.430 -5.719 1.00 20.47 O ATOM 664 CB LEU A 586 -7.777 11.548 -5.922 1.00 17.99 C ATOM 665 CG LEU A 586 -8.904 10.792 -6.646 1.00 18.74 C ATOM 666 CD1 LEU A 586 -9.681 11.791 -7.482 1.00 18.41 C ATOM 667 CD2 LEU A 586 -8.442 9.595 -7.512 1.00 20.93 C ATOM 668 HA LEU A 586 -6.675 9.774 -5.499 1.00 0.00 H ATOM 669 HB2 LEU A 586 -8.236 12.336 -5.325 1.00 0.00 H ATOM 670 HB3 LEU A 586 -7.137 11.996 -6.682 1.00 0.00 H ATOM 671 HG LEU A 586 -9.528 10.339 -5.876 1.00 0.00 H ATOM 672 HD21 LEU A 586 -7.758 9.949 -8.284 1.00 0.00 H ATOM 673 HD22 LEU A 586 -7.933 8.866 -6.881 1.00 0.00 H ATOM 674 HD23 LEU A 586 -9.310 9.130 -7.979 1.00 0.00 H ATOM 675 HD11 LEU A 586 -10.101 12.559 -6.832 1.00 0.00 H ATOM 676 HD12 LEU A 586 -9.012 12.254 -8.208 1.00 0.00 H ATOM 677 HD13 LEU A 586 -10.487 11.276 -8.005 1.00 0.00 H ATOM 678 H LEU A 586 -8.468 10.817 -3.483 1.00 0.00 H ATOM 679 N GLU A 587 -5.139 11.694 -3.523 1.00 19.26 N ATOM 680 CA GLU A 587 -3.770 12.122 -3.171 1.00 19.66 C ATOM 681 C GLU A 587 -2.753 10.972 -3.273 1.00 19.19 C ATOM 682 O GLU A 587 -1.548 11.205 -3.398 1.00 19.31 O ATOM 683 CB GLU A 587 -3.704 12.632 -1.729 1.00 19.74 C ATOM 684 CG GLU A 587 -4.785 13.644 -1.256 1.00 22.30 C ATOM 685 CD GLU A 587 -4.719 13.869 0.281 1.00 22.75 C ATOM 686 OE1 GLU A 587 -5.429 13.172 1.047 1.00 23.82 O ATOM 687 OE2 GLU A 587 -3.936 14.740 0.733 1.00 29.63 O ATOM 688 HA GLU A 587 -3.521 12.909 -3.883 1.00 0.00 H ATOM 689 HB2 GLU A 587 -3.768 11.762 -1.075 1.00 0.00 H ATOM 690 HB3 GLU A 587 -2.734 13.112 -1.600 1.00 0.00 H ATOM 691 HG2 GLU A 587 -4.625 14.596 -1.761 1.00 0.00 H ATOM 692 HG3 GLU A 587 -5.771 13.258 -1.516 1.00 0.00 H ATOM 693 H GLU A 587 -5.863 11.671 -2.777 1.00 0.00 H ATOM 694 N ILE A 588 -3.235 9.743 -3.157 1.00 17.78 N ATOM 695 CA ILE A 588 -2.394 8.530 -3.203 1.00 18.63 C ATOM 696 C ILE A 588 -1.828 8.317 -4.608 1.00 18.59 C ATOM 697 O ILE A 588 -2.468 8.699 -5.589 1.00 18.26 O ATOM 698 CB ILE A 588 -3.229 7.324 -2.756 1.00 19.00 C ATOM 699 CG1 ILE A 588 -3.560 7.455 -1.266 1.00 18.99 C ATOM 700 CG2 ILE A 588 -2.568 5.971 -3.085 1.00 20.67 C ATOM 701 CD1 ILE A 588 -4.657 6.512 -0.828 1.00 20.57 C ATOM 702 HA ILE A 588 -1.548 8.649 -2.526 1.00 0.00 H ATOM 703 HB ILE A 588 -4.156 7.331 -3.329 1.00 0.00 H ATOM 704 HG12 ILE A 588 -2.662 7.238 -0.688 1.00 0.00 H ATOM 705 HG13 ILE A 588 -3.879 8.478 -1.068 1.00 0.00 H ATOM 706 HD11 ILE A 588 -5.565 6.725 -1.393 1.00 0.00 H ATOM 707 HD12 ILE A 588 -4.346 5.484 -1.013 1.00 0.00 H ATOM 708 HD13 ILE A 588 -4.849 6.649 0.236 1.00 0.00 H ATOM 709 HG21 ILE A 588 -2.424 5.891 -4.162 1.00 0.00 H ATOM 710 HG22 ILE A 588 -1.603 5.908 -2.583 1.00 0.00 H ATOM 711 HG23 ILE A 588 -3.211 5.161 -2.742 1.00 0.00 H ATOM 712 H ILE A 588 -4.260 9.627 -3.027 1.00 0.00 H ATOM 713 N ASP A 589 -0.631 7.716 -4.692 1.00 19.70 N ATOM 714 CA ASP A 589 0.004 7.425 -6.000 1.00 20.79 C ATOM 715 C ASP A 589 -0.925 6.573 -6.904 1.00 20.53 C ATOM 716 O ASP A 589 -1.697 5.734 -6.422 1.00 18.78 O ATOM 717 CB ASP A 589 1.384 6.769 -5.824 1.00 22.31 C ATOM 718 CG ASP A 589 2.512 7.784 -5.527 1.00 25.99 C ATOM 719 OD1 ASP A 589 2.248 9.008 -5.400 1.00 31.41 O ATOM 720 OD2 ASP A 589 3.691 7.357 -5.438 1.00 30.70 O ATOM 721 HA ASP A 589 0.163 8.378 -6.506 1.00 0.00 H ATOM 722 HB2 ASP A 589 1.328 6.062 -4.996 1.00 0.00 H ATOM 723 HB3 ASP A 589 1.632 6.234 -6.741 1.00 0.00 H ATOM 724 H ASP A 589 -0.136 7.448 -3.818 1.00 0.00 H ATOM 725 N ASN A 590 -0.884 6.825 -8.205 1.00 19.69 N ATOM 726 CA ASN A 590 -1.796 6.154 -9.136 1.00 19.42 C ATOM 727 C ASN A 590 -1.678 4.630 -9.162 1.00 18.89 C ATOM 728 O ASN A 590 -2.684 3.946 -9.332 1.00 17.85 O ATOM 729 CB ASN A 590 -1.631 6.731 -10.539 1.00 20.07 C ATOM 730 CG ASN A 590 -2.177 8.145 -10.652 1.00 19.98 C ATOM 731 OD1 ASN A 590 -2.749 8.679 -9.705 1.00 21.70 O ATOM 732 ND2 ASN A 590 -1.992 8.761 -11.813 1.00 21.30 N ATOM 733 HA ASN A 590 -2.800 6.354 -8.761 1.00 0.00 H ATOM 734 HB2 ASN A 590 -0.570 6.744 -10.790 1.00 0.00 H ATOM 735 HB3 ASN A 590 -2.162 6.093 -11.245 1.00 0.00 H ATOM 736 HD22 ASN A 590 -1.502 8.272 -12.589 1.00 0.00 H ATOM 737 HD21 ASN A 590 -2.337 9.733 -11.947 1.00 0.00 H ATOM 738 H ASN A 590 -0.193 7.510 -8.571 1.00 0.00 H ATOM 739 N SER A 591 -0.455 4.101 -9.030 1.00 18.07 N ATOM 740 CA SER A 591 -0.271 2.649 -8.930 1.00 19.16 C ATOM 741 C SER A 591 -0.980 2.053 -7.726 1.00 19.84 C ATOM 742 O SER A 591 -1.621 0.996 -7.831 1.00 20.52 O ATOM 743 CB SER A 591 1.212 2.282 -8.923 1.00 19.91 C ATOM 744 OG SER A 591 1.723 2.536 -10.202 1.00 23.27 O ATOM 745 HA SER A 591 -0.732 2.214 -9.817 1.00 0.00 H ATOM 746 HB2 SER A 591 1.332 1.227 -8.679 1.00 0.00 H ATOM 747 HB3 SER A 591 1.740 2.887 -8.186 1.00 0.00 H ATOM 748 HG SER A 591 2.686 2.305 -10.223 1.00 0.00 H ATOM 749 H SER A 591 0.375 4.727 -8.998 1.00 0.00 H ATOM 750 N GLU A 592 -0.908 2.747 -6.593 1.00 19.09 N ATOM 751 CA GLU A 592 -1.616 2.310 -5.400 1.00 20.64 C ATOM 752 C GLU A 592 -3.128 2.412 -5.590 1.00 19.79 C ATOM 753 O GLU A 592 -3.879 1.550 -5.123 1.00 20.80 O ATOM 754 CB GLU A 592 -1.134 3.103 -4.186 1.00 20.75 C ATOM 755 CG GLU A 592 -1.646 2.540 -2.873 1.00 26.91 C ATOM 756 CD GLU A 592 -0.864 3.039 -1.670 1.00 32.65 C ATOM 757 OE1 GLU A 592 0.099 3.829 -1.848 1.00 35.94 O ATOM 758 OE2 GLU A 592 -1.216 2.632 -0.539 1.00 35.91 O ATOM 759 HA GLU A 592 -1.393 1.258 -5.222 1.00 0.00 H ATOM 760 HB2 GLU A 592 -0.044 3.088 -4.170 1.00 0.00 H ATOM 761 HB3 GLU A 592 -1.480 4.132 -4.282 1.00 0.00 H ATOM 762 HG2 GLU A 592 -2.690 2.830 -2.754 1.00 0.00 H ATOM 763 HG3 GLU A 592 -1.574 1.453 -2.909 1.00 0.00 H ATOM 764 H GLU A 592 -0.337 3.615 -6.560 1.00 0.00 H ATOM 765 N LEU A 593 -3.582 3.456 -6.281 1.00 18.76 N ATOM 766 CA LEU A 593 -5.017 3.582 -6.583 1.00 17.95 C ATOM 767 C LEU A 593 -5.517 2.449 -7.476 1.00 17.54 C ATOM 768 O LEU A 593 -6.623 1.922 -7.236 1.00 17.79 O ATOM 769 CB LEU A 593 -5.318 4.935 -7.241 1.00 18.12 C ATOM 770 CG LEU A 593 -5.194 6.129 -6.288 1.00 19.35 C ATOM 771 CD1 LEU A 593 -5.352 7.425 -7.040 1.00 19.11 C ATOM 772 CD2 LEU A 593 -6.180 6.003 -5.106 1.00 23.65 C ATOM 773 HA LEU A 593 -5.547 3.518 -5.633 1.00 0.00 H ATOM 774 HB2 LEU A 593 -4.620 5.079 -8.065 1.00 0.00 H ATOM 775 HB3 LEU A 593 -6.336 4.909 -7.629 1.00 0.00 H ATOM 776 HG LEU A 593 -4.193 6.130 -5.856 1.00 0.00 H ATOM 777 HD21 LEU A 593 -7.200 5.966 -5.488 1.00 0.00 H ATOM 778 HD22 LEU A 593 -5.965 5.090 -4.551 1.00 0.00 H ATOM 779 HD23 LEU A 593 -6.068 6.865 -4.448 1.00 0.00 H ATOM 780 HD11 LEU A 593 -4.576 7.498 -7.802 1.00 0.00 H ATOM 781 HD12 LEU A 593 -6.333 7.451 -7.514 1.00 0.00 H ATOM 782 HD13 LEU A 593 -5.261 8.260 -6.345 1.00 0.00 H ATOM 783 H LEU A 593 -2.919 4.187 -6.609 1.00 0.00 H ATOM 784 N LEU A 594 -4.719 2.083 -8.490 1.00 17.57 N ATOM 785 CA LEU A 594 -5.029 0.889 -9.296 1.00 19.20 C ATOM 786 C LEU A 594 -5.170 -0.372 -8.432 1.00 19.25 C ATOM 787 O LEU A 594 -6.118 -1.162 -8.614 1.00 20.45 O ATOM 788 CB LEU A 594 -3.964 0.663 -10.366 1.00 19.52 C ATOM 789 CG LEU A 594 -4.073 1.441 -11.657 1.00 22.85 C ATOM 790 CD1 LEU A 594 -2.905 1.036 -12.568 1.00 25.54 C ATOM 791 CD2 LEU A 594 -5.427 1.139 -12.334 1.00 24.07 C ATOM 792 HA LEU A 594 -5.989 1.076 -9.777 1.00 0.00 H ATOM 793 HB2 LEU A 594 -3.000 0.909 -9.920 1.00 0.00 H ATOM 794 HB3 LEU A 594 -3.984 -0.396 -10.624 1.00 0.00 H ATOM 795 HG LEU A 594 -4.024 2.512 -11.462 1.00 0.00 H ATOM 796 HD21 LEU A 594 -5.495 0.072 -12.547 1.00 0.00 H ATOM 797 HD22 LEU A 594 -6.238 1.430 -11.667 1.00 0.00 H ATOM 798 HD23 LEU A 594 -5.500 1.702 -13.264 1.00 0.00 H ATOM 799 HD11 LEU A 594 -1.962 1.266 -12.072 1.00 0.00 H ATOM 800 HD12 LEU A 594 -2.958 -0.034 -12.771 1.00 0.00 H ATOM 801 HD13 LEU A 594 -2.968 1.589 -13.505 1.00 0.00 H ATOM 802 H LEU A 594 -3.873 2.647 -8.709 1.00 0.00 H ATOM 803 N HIS A 595 -4.239 -0.558 -7.487 1.00 18.96 N ATOM 804 CA HIS A 595 -4.312 -1.694 -6.561 1.00 19.52 C ATOM 805 C HIS A 595 -5.631 -1.655 -5.763 1.00 19.40 C ATOM 806 O HIS A 595 -6.298 -2.677 -5.567 1.00 19.82 O ATOM 807 CB HIS A 595 -3.124 -1.713 -5.596 1.00 19.32 C ATOM 808 CG HIS A 595 -3.230 -2.769 -4.546 1.00 21.12 C ATOM 809 ND1 HIS A 595 -3.099 -2.497 -3.203 1.00 22.81 N ATOM 810 CD2 HIS A 595 -3.456 -4.100 -4.642 1.00 20.34 C ATOM 811 CE1 HIS A 595 -3.234 -3.616 -2.518 1.00 20.22 C ATOM 812 NE2 HIS A 595 -3.454 -4.602 -3.366 1.00 20.99 N ATOM 813 HA HIS A 595 -4.278 -2.605 -7.159 1.00 0.00 H ATOM 814 HB2 HIS A 595 -2.214 -1.887 -6.171 1.00 0.00 H ATOM 815 HB3 HIS A 595 -3.062 -0.742 -5.105 1.00 0.00 H ATOM 816 HD2 HIS A 595 -3.610 -4.666 -5.561 1.00 0.00 H ATOM 817 HE1 HIS A 595 -3.174 -3.710 -1.434 1.00 0.00 H ATOM 818 H HIS A 595 -3.450 0.115 -7.408 1.00 0.00 H ATOM 819 N MET A 596 -6.017 -0.465 -5.333 1.00 19.96 N ATOM 820 CA MET A 596 -7.243 -0.311 -4.570 1.00 20.98 C ATOM 821 C MET A 596 -8.461 -0.676 -5.409 1.00 19.43 C ATOM 822 O MET A 596 -9.414 -1.288 -4.919 1.00 19.35 O ATOM 823 CB MET A 596 -7.313 1.102 -4.008 1.00 20.34 C ATOM 824 CG MET A 596 -6.226 1.305 -2.928 1.00 24.32 C ATOM 825 SD MET A 596 -5.846 3.039 -2.655 1.00 28.55 S ATOM 826 CE MET A 596 -7.498 3.657 -2.426 1.00 24.47 C ATOM 827 HA MET A 596 -7.241 -1.004 -3.729 1.00 0.00 H ATOM 828 HB2 MET A 596 -7.157 1.818 -4.815 1.00 0.00 H ATOM 829 HB3 MET A 596 -8.295 1.265 -3.565 1.00 0.00 H ATOM 830 HG2 MET A 596 -5.317 0.793 -3.245 1.00 0.00 H ATOM 831 HG3 MET A 596 -6.578 0.872 -1.992 1.00 0.00 H ATOM 832 HE1 MET A 596 -8.086 3.461 -3.323 1.00 0.00 H ATOM 833 HE2 MET A 596 -7.957 3.157 -1.573 1.00 0.00 H ATOM 834 HE3 MET A 596 -7.461 4.731 -2.242 1.00 0.00 H ATOM 835 H MET A 596 -5.435 0.371 -5.544 1.00 0.00 H ATOM 836 N LEU A 597 -8.407 -0.349 -6.693 1.00 19.06 N ATOM 837 CA LEU A 597 -9.508 -0.717 -7.600 1.00 20.19 C ATOM 838 C LEU A 597 -9.632 -2.230 -7.801 1.00 20.46 C ATOM 839 O LEU A 597 -10.743 -2.742 -8.036 1.00 21.51 O ATOM 840 CB LEU A 597 -9.327 -0.015 -8.938 1.00 20.55 C ATOM 841 CG LEU A 597 -9.895 1.395 -8.957 1.00 23.69 C ATOM 842 CD1 LEU A 597 -9.427 2.100 -10.226 1.00 27.94 C ATOM 843 CD2 LEU A 597 -11.433 1.321 -8.918 1.00 25.14 C ATOM 844 HA LEU A 597 -10.437 -0.389 -7.133 1.00 0.00 H ATOM 845 HB2 LEU A 597 -8.261 0.038 -9.160 1.00 0.00 H ATOM 846 HB3 LEU A 597 -9.829 -0.601 -9.708 1.00 0.00 H ATOM 847 HG LEU A 597 -9.548 1.956 -8.089 1.00 0.00 H ATOM 848 HD21 LEU A 597 -11.791 0.770 -9.787 1.00 0.00 H ATOM 849 HD22 LEU A 597 -11.748 0.811 -8.008 1.00 0.00 H ATOM 850 HD23 LEU A 597 -11.844 2.330 -8.931 1.00 0.00 H ATOM 851 HD11 LEU A 597 -8.338 2.141 -10.237 1.00 0.00 H ATOM 852 HD12 LEU A 597 -9.780 1.549 -11.098 1.00 0.00 H ATOM 853 HD13 LEU A 597 -9.830 3.112 -10.247 1.00 0.00 H ATOM 854 H LEU A 597 -7.584 0.169 -7.061 1.00 0.00 H ATOM 855 N GLU A 598 -8.500 -2.929 -7.688 1.00 19.20 N ATOM 856 CA GLU A 598 -8.411 -4.384 -7.856 1.00 20.09 C ATOM 857 C GLU A 598 -8.683 -5.161 -6.569 1.00 19.74 C ATOM 858 O GLU A 598 -8.973 -6.362 -6.608 1.00 21.00 O ATOM 859 CB GLU A 598 -7.012 -4.757 -8.358 1.00 20.27 C ATOM 860 CG GLU A 598 -6.667 -4.182 -9.699 1.00 22.82 C ATOM 861 CD GLU A 598 -5.272 -4.573 -10.149 1.00 27.00 C ATOM 862 OE1 GLU A 598 -4.474 -5.027 -9.293 1.00 28.54 O ATOM 863 OE2 GLU A 598 -4.973 -4.406 -11.350 1.00 28.98 O ATOM 864 HA GLU A 598 -9.182 -4.658 -8.576 1.00 0.00 H ATOM 865 HB2 GLU A 598 -6.281 -4.398 -7.633 1.00 0.00 H ATOM 866 HB3 GLU A 598 -6.951 -5.843 -8.425 1.00 0.00 H ATOM 867 HG2 GLU A 598 -7.387 -4.545 -10.432 1.00 0.00 H ATOM 868 HG3 GLU A 598 -6.726 -3.095 -9.641 1.00 0.00 H ATOM 869 H GLU A 598 -7.627 -2.410 -7.467 1.00 0.00 H ATOM 870 N SER A 599 -8.574 -4.504 -5.426 1.00 17.94 N ATOM 871 CA SER A 599 -8.645 -5.182 -4.148 1.00 17.43 C ATOM 872 C SER A 599 -9.695 -4.541 -3.231 1.00 17.01 C ATOM 873 O SER A 599 -9.394 -3.565 -2.511 1.00 16.19 O ATOM 874 CB SER A 599 -7.279 -5.236 -3.468 1.00 18.71 C ATOM 875 OG SER A 599 -7.395 -5.724 -2.137 1.00 19.64 O ATOM 876 HA SER A 599 -8.958 -6.208 -4.342 1.00 0.00 H ATOM 877 HB2 SER A 599 -6.851 -4.234 -3.445 1.00 0.00 H ATOM 878 HB3 SER A 599 -6.623 -5.897 -4.035 1.00 0.00 H ATOM 879 HG SER A 599 -7.987 -5.124 -1.617 1.00 0.00 H ATOM 880 H SER A 599 -8.434 -3.474 -5.446 1.00 0.00 H ATOM 881 N PRO A 600 -10.932 -5.059 -3.274 1.00 15.53 N ATOM 882 CA PRO A 600 -12.000 -4.528 -2.384 1.00 15.23 C ATOM 883 C PRO A 600 -11.595 -4.414 -0.910 1.00 15.47 C ATOM 884 O PRO A 600 -11.942 -3.430 -0.262 1.00 15.21 O ATOM 885 CB PRO A 600 -13.136 -5.547 -2.556 1.00 15.29 C ATOM 886 CG PRO A 600 -12.930 -6.096 -3.932 1.00 15.78 C ATOM 887 CD PRO A 600 -11.447 -6.079 -4.209 1.00 16.18 C ATOM 888 HA PRO A 600 -12.262 -3.505 -2.656 1.00 0.00 H ATOM 889 HD3 PRO A 600 -11.002 -7.053 -4.007 1.00 0.00 H ATOM 890 HD2 PRO A 600 -11.247 -5.797 -5.243 1.00 0.00 H ATOM 891 HG3 PRO A 600 -13.452 -5.478 -4.662 1.00 0.00 H ATOM 892 HG2 PRO A 600 -13.307 -7.117 -3.986 1.00 0.00 H ATOM 893 HB2 PRO A 600 -13.063 -6.337 -1.809 1.00 0.00 H ATOM 894 HB3 PRO A 600 -14.108 -5.060 -2.475 1.00 0.00 H ATOM 895 N GLU A 601 -10.866 -5.401 -0.382 1.00 14.72 N ATOM 896 CA GLU A 601 -10.381 -5.298 1.017 1.00 15.83 C ATOM 897 C GLU A 601 -9.465 -4.082 1.222 1.00 15.79 C ATOM 898 O GLU A 601 -9.562 -3.396 2.245 1.00 16.62 O ATOM 899 CB GLU A 601 -9.660 -6.588 1.436 1.00 16.83 C ATOM 900 CG GLU A 601 -10.604 -7.735 1.659 1.00 20.93 C ATOM 901 CD GLU A 601 -11.462 -7.556 2.895 1.00 25.33 C ATOM 902 OE1 GLU A 601 -12.403 -8.361 3.072 1.00 30.03 O ATOM 903 OE2 GLU A 601 -11.184 -6.649 3.704 1.00 28.55 O ATOM 904 HA GLU A 601 -11.256 -5.159 1.652 1.00 0.00 H ATOM 905 HB2 GLU A 601 -8.955 -6.864 0.652 1.00 0.00 H ATOM 906 HB3 GLU A 601 -9.116 -6.399 2.362 1.00 0.00 H ATOM 907 HG2 GLU A 601 -11.257 -7.823 0.791 1.00 0.00 H ATOM 908 HG3 GLU A 601 -10.022 -8.650 1.768 1.00 0.00 H ATOM 909 H GLU A 601 -10.638 -6.241 -0.951 1.00 0.00 H ATOM 910 N SER A 602 -8.583 -3.826 0.249 1.00 16.15 N ATOM 911 CA SER A 602 -7.640 -2.708 0.349 1.00 16.03 C ATOM 912 C SER A 602 -8.391 -1.392 0.276 1.00 16.58 C ATOM 913 O SER A 602 -8.142 -0.454 1.072 1.00 16.87 O ATOM 914 CB SER A 602 -6.586 -2.800 -0.758 1.00 16.31 C ATOM 915 OG SER A 602 -5.690 -3.869 -0.503 1.00 13.94 O ATOM 916 HA SER A 602 -7.125 -2.759 1.309 1.00 0.00 H ATOM 917 HB2 SER A 602 -6.027 -1.865 -0.800 1.00 0.00 H ATOM 918 HB3 SER A 602 -7.083 -2.968 -1.714 1.00 0.00 H ATOM 919 HG SER A 602 -6.195 -4.720 -0.467 1.00 0.00 H ATOM 920 H SER A 602 -8.566 -4.433 -0.596 1.00 0.00 H ATOM 921 N LEU A 603 -9.333 -1.332 -0.642 1.00 15.26 N ATOM 922 CA LEU A 603 -10.111 -0.098 -0.783 1.00 15.05 C ATOM 923 C LEU A 603 -10.890 0.159 0.486 1.00 15.80 C ATOM 924 O LEU A 603 -10.929 1.290 0.959 1.00 15.35 O ATOM 925 CB LEU A 603 -11.027 -0.174 -1.997 1.00 13.99 C ATOM 926 CG LEU A 603 -11.964 1.049 -2.135 1.00 15.23 C ATOM 927 CD1 LEU A 603 -11.122 2.322 -2.322 1.00 13.49 C ATOM 928 CD2 LEU A 603 -12.921 0.865 -3.287 1.00 14.48 C ATOM 929 HA LEU A 603 -9.431 0.739 -0.944 1.00 0.00 H ATOM 930 HB2 LEU A 603 -10.410 -0.240 -2.893 1.00 0.00 H ATOM 931 HB3 LEU A 603 -11.640 -1.072 -1.913 1.00 0.00 H ATOM 932 HG LEU A 603 -12.557 1.146 -1.226 1.00 0.00 H ATOM 933 HD21 LEU A 603 -12.356 0.749 -4.212 1.00 0.00 H ATOM 934 HD22 LEU A 603 -13.527 -0.025 -3.116 1.00 0.00 H ATOM 935 HD23 LEU A 603 -13.569 1.738 -3.363 1.00 0.00 H ATOM 936 HD11 LEU A 603 -10.473 2.457 -1.457 1.00 0.00 H ATOM 937 HD12 LEU A 603 -10.515 2.226 -3.222 1.00 0.00 H ATOM 938 HD13 LEU A 603 -11.784 3.183 -2.419 1.00 0.00 H ATOM 939 H LEU A 603 -9.522 -2.148 -1.258 1.00 0.00 H ATOM 940 N ARG A 604 -11.501 -0.885 1.056 1.00 15.92 N ATOM 941 CA ARG A 604 -12.350 -0.694 2.227 1.00 17.77 C ATOM 942 C ARG A 604 -11.496 -0.200 3.411 1.00 18.14 C ATOM 943 O ARG A 604 -11.892 0.736 4.117 1.00 18.80 O ATOM 944 CB ARG A 604 -13.102 -1.980 2.535 1.00 17.71 C ATOM 945 CG ARG A 604 -13.975 -1.914 3.734 1.00 20.85 C ATOM 946 CD ARG A 604 -13.994 -3.295 4.273 1.00 24.14 C ATOM 947 NE ARG A 604 -15.324 -3.646 4.695 1.00 30.39 N ATOM 948 CZ ARG A 604 -15.642 -4.834 5.180 1.00 25.93 C ATOM 949 NH1 ARG A 604 -14.704 -5.759 5.326 1.00 29.67 N ATOM 950 NH2 ARG A 604 -16.886 -5.073 5.534 1.00 29.08 N ATOM 951 HA ARG A 604 -13.100 0.072 2.031 1.00 0.00 H ATOM 952 HB2 ARG A 604 -13.724 -2.225 1.674 1.00 0.00 H ATOM 953 HB3 ARG A 604 -12.370 -2.773 2.690 1.00 0.00 H ATOM 954 HG2 ARG A 604 -13.565 -1.221 4.469 1.00 0.00 H ATOM 955 HG3 ARG A 604 -14.981 -1.596 3.459 1.00 0.00 H ATOM 956 HD2 ARG A 604 -13.317 -3.359 5.125 1.00 0.00 H ATOM 957 HD3 ARG A 604 -13.667 -3.989 3.498 1.00 0.00 H ATOM 958 HE ARG A 604 -16.073 -2.929 4.614 1.00 0.00 H ATOM 959 HH12 ARG A 604 -14.951 -6.695 5.707 1.00 0.00 H ATOM 960 HH11 ARG A 604 -13.721 -5.549 5.059 1.00 0.00 H ATOM 961 HH22 ARG A 604 -17.148 -6.004 5.917 1.00 0.00 H ATOM 962 HH21 ARG A 604 -17.608 -4.331 5.431 1.00 0.00 H ATOM 963 H ARG A 604 -11.370 -1.839 0.662 1.00 0.00 H ATOM 964 N SER A 605 -10.310 -0.768 3.594 1.00 17.59 N ATOM 965 CA SER A 605 -9.423 -0.318 4.693 1.00 18.88 C ATOM 966 C SER A 605 -9.065 1.170 4.508 1.00 18.84 C ATOM 967 O SER A 605 -9.136 1.948 5.469 1.00 19.41 O ATOM 968 CB SER A 605 -8.188 -1.219 4.880 1.00 20.81 C ATOM 969 OG SER A 605 -7.273 -1.093 3.799 1.00 26.44 O ATOM 970 HA SER A 605 -9.974 -0.415 5.629 1.00 0.00 H ATOM 971 HB2 SER A 605 -8.515 -2.257 4.947 1.00 0.00 H ATOM 972 HB3 SER A 605 -7.683 -0.938 5.804 1.00 0.00 H ATOM 973 HG SER A 605 -7.722 -1.352 2.956 1.00 0.00 H ATOM 974 H SER A 605 -10.001 -1.534 2.962 1.00 0.00 H ATOM 975 N LYS A 606 -8.736 1.573 3.283 1.00 17.19 N ATOM 976 CA LYS A 606 -8.365 2.963 3.011 1.00 17.70 C ATOM 977 C LYS A 606 -9.535 3.915 3.199 1.00 17.08 C ATOM 978 O LYS A 606 -9.377 5.054 3.667 1.00 15.89 O ATOM 979 CB LYS A 606 -7.824 3.100 1.596 1.00 19.05 C ATOM 980 CG LYS A 606 -6.892 4.287 1.417 1.00 23.36 C ATOM 981 CD LYS A 606 -5.840 4.425 2.533 1.00 27.60 C ATOM 982 CE LYS A 606 -4.781 3.339 2.479 1.00 29.55 C ATOM 983 NZ LYS A 606 -3.643 3.631 3.435 1.00 32.32 N ATOM 984 HA LYS A 606 -7.592 3.233 3.730 1.00 0.00 H ATOM 985 HB2 LYS A 606 -7.278 2.191 1.345 1.00 0.00 H ATOM 986 HB3 LYS A 606 -8.666 3.216 0.914 1.00 0.00 H ATOM 987 HG2 LYS A 606 -6.372 4.175 0.466 1.00 0.00 H ATOM 988 HG3 LYS A 606 -7.493 5.196 1.396 1.00 0.00 H ATOM 989 HD2 LYS A 606 -5.351 5.394 2.434 1.00 0.00 H ATOM 990 HD3 LYS A 606 -6.345 4.372 3.497 1.00 0.00 H ATOM 991 HE2 LYS A 606 -4.386 3.278 1.465 1.00 0.00 H ATOM 992 HE3 LYS A 606 -5.236 2.386 2.749 1.00 0.00 H ATOM 993 HZ1 LYS A 606 -3.201 4.537 3.180 1.00 0.00 H ATOM 994 HZ2 LYS A 606 -4.013 3.685 4.406 1.00 0.00 H ATOM 995 HZ3 LYS A 606 -2.937 2.870 3.374 1.00 0.00 H ATOM 996 H LYS A 606 -8.743 0.886 2.502 1.00 0.00 H ATOM 997 N VAL A 607 -10.713 3.462 2.799 1.00 16.39 N ATOM 998 CA VAL A 607 -11.896 4.308 2.972 1.00 17.22 C ATOM 999 C VAL A 607 -12.217 4.471 4.471 1.00 17.90 C ATOM 1000 O VAL A 607 -12.561 5.572 4.922 1.00 17.45 O ATOM 1001 CB VAL A 607 -13.092 3.757 2.235 1.00 17.18 C ATOM 1002 CG1 VAL A 607 -14.373 4.531 2.625 1.00 15.44 C ATOM 1003 CG2 VAL A 607 -12.880 3.864 0.721 1.00 16.28 C ATOM 1004 HA VAL A 607 -11.671 5.285 2.545 1.00 0.00 H ATOM 1005 HB VAL A 607 -13.207 2.709 2.512 1.00 0.00 H ATOM 1006 HG11 VAL A 607 -14.542 4.434 3.697 1.00 0.00 H ATOM 1007 HG12 VAL A 607 -14.252 5.583 2.368 1.00 0.00 H ATOM 1008 HG13 VAL A 607 -15.224 4.119 2.083 1.00 0.00 H ATOM 1009 HG21 VAL A 607 -12.744 4.910 0.448 1.00 0.00 H ATOM 1010 HG22 VAL A 607 -11.994 3.295 0.438 1.00 0.00 H ATOM 1011 HG23 VAL A 607 -13.752 3.462 0.204 1.00 0.00 H ATOM 1012 H VAL A 607 -10.797 2.519 2.368 1.00 0.00 H ATOM 1013 N ASP A 608 -12.088 3.379 5.221 1.00 18.20 N ATOM 1014 CA ASP A 608 -12.255 3.413 6.685 1.00 19.41 C ATOM 1015 C ASP A 608 -11.291 4.429 7.300 1.00 19.62 C ATOM 1016 O ASP A 608 -11.685 5.219 8.168 1.00 18.90 O ATOM 1017 CB ASP A 608 -12.000 2.037 7.289 1.00 19.96 C ATOM 1018 CG ASP A 608 -13.105 1.016 6.980 1.00 23.26 C ATOM 1019 OD1 ASP A 608 -14.209 1.386 6.517 1.00 25.29 O ATOM 1020 OD2 ASP A 608 -12.873 -0.190 7.238 1.00 26.04 O ATOM 1021 HA ASP A 608 -13.281 3.708 6.905 1.00 0.00 H ATOM 1022 HB2 ASP A 608 -11.058 1.656 6.894 1.00 0.00 H ATOM 1023 HB3 ASP A 608 -11.922 2.144 8.371 1.00 0.00 H ATOM 1024 H ASP A 608 -11.863 2.474 4.760 1.00 0.00 H ATOM 1025 N GLU A 609 -10.036 4.403 6.851 1.00 19.15 N ATOM 1026 CA GLU A 609 -9.033 5.365 7.328 1.00 19.53 C ATOM 1027 C GLU A 609 -9.436 6.805 7.005 1.00 18.79 C ATOM 1028 O GLU A 609 -9.352 7.718 7.868 1.00 18.27 O ATOM 1029 CB GLU A 609 -7.677 5.089 6.692 1.00 20.35 C ATOM 1030 CG GLU A 609 -6.976 3.860 7.235 1.00 24.98 C ATOM 1031 CD GLU A 609 -5.679 3.566 6.513 1.00 31.37 C ATOM 1032 OE1 GLU A 609 -5.166 2.436 6.663 1.00 34.63 O ATOM 1033 OE2 GLU A 609 -5.168 4.461 5.804 1.00 34.13 O ATOM 1034 HA GLU A 609 -8.970 5.245 8.410 1.00 0.00 H ATOM 1035 HB2 GLU A 609 -7.823 4.955 5.620 1.00 0.00 H ATOM 1036 HB3 GLU A 609 -7.036 5.953 6.865 1.00 0.00 H ATOM 1037 HG2 GLU A 609 -6.760 4.019 8.292 1.00 0.00 H ATOM 1038 HG3 GLU A 609 -7.639 3.002 7.126 1.00 0.00 H ATOM 1039 H GLU A 609 -9.761 3.687 6.149 1.00 0.00 H ATOM 1040 N ALA A 610 -9.872 7.024 5.768 1.00 17.30 N ATOM 1041 CA ALA A 610 -10.256 8.357 5.317 1.00 16.12 C ATOM 1042 C ALA A 610 -11.460 8.898 6.095 1.00 15.84 C ATOM 1043 O ALA A 610 -11.465 10.063 6.487 1.00 15.67 O ATOM 1044 CB ALA A 610 -10.549 8.336 3.810 1.00 16.13 C ATOM 1045 HA ALA A 610 -9.420 9.030 5.510 1.00 0.00 H ATOM 1046 HB1 ALA A 610 -9.656 8.018 3.272 1.00 0.00 H ATOM 1047 HB2 ALA A 610 -11.363 7.640 3.609 1.00 0.00 H ATOM 1048 HB3 ALA A 610 -10.835 9.336 3.483 1.00 0.00 H ATOM 1049 H ALA A 610 -9.941 6.225 5.106 1.00 0.00 H ATOM 1050 N VAL A 611 -12.466 8.067 6.313 1.00 15.81 N ATOM 1051 CA VAL A 611 -13.663 8.493 7.070 1.00 16.14 C ATOM 1052 C VAL A 611 -13.287 8.855 8.514 1.00 16.60 C ATOM 1053 O VAL A 611 -13.734 9.876 9.063 1.00 15.91 O ATOM 1054 CB VAL A 611 -14.773 7.427 6.985 1.00 16.31 C ATOM 1055 CG1 VAL A 611 -15.941 7.762 7.955 1.00 15.72 C ATOM 1056 CG2 VAL A 611 -15.288 7.355 5.557 1.00 15.47 C ATOM 1057 HA VAL A 611 -14.069 9.397 6.616 1.00 0.00 H ATOM 1058 HB VAL A 611 -14.358 6.462 7.277 1.00 0.00 H ATOM 1059 HG11 VAL A 611 -15.564 7.795 8.977 1.00 0.00 H ATOM 1060 HG12 VAL A 611 -16.364 8.731 7.691 1.00 0.00 H ATOM 1061 HG13 VAL A 611 -16.710 6.994 7.875 1.00 0.00 H ATOM 1062 HG21 VAL A 611 -15.690 8.326 5.268 1.00 0.00 H ATOM 1063 HG22 VAL A 611 -14.469 7.085 4.890 1.00 0.00 H ATOM 1064 HG23 VAL A 611 -16.073 6.602 5.493 1.00 0.00 H ATOM 1065 H VAL A 611 -12.414 7.096 5.945 1.00 0.00 H ATOM 1066 N ALA A 612 -12.430 8.043 9.112 1.00 16.12 N ATOM 1067 CA ALA A 612 -11.991 8.285 10.493 1.00 16.62 C ATOM 1068 C ALA A 612 -11.202 9.597 10.584 1.00 17.41 C ATOM 1069 O ALA A 612 -11.397 10.375 11.508 1.00 16.89 O ATOM 1070 CB ALA A 612 -11.158 7.116 10.983 1.00 17.37 C ATOM 1071 HA ALA A 612 -12.869 8.377 11.133 1.00 0.00 H ATOM 1072 HB1 ALA A 612 -11.757 6.206 10.950 1.00 0.00 H ATOM 1073 HB2 ALA A 612 -10.284 7.001 10.342 1.00 0.00 H ATOM 1074 HB3 ALA A 612 -10.837 7.304 12.008 1.00 0.00 H ATOM 1075 H ALA A 612 -12.061 7.219 8.595 1.00 0.00 H ATOM 1076 N VAL A 613 -10.326 9.838 9.615 1.00 16.73 N ATOM 1077 CA VAL A 613 -9.563 11.124 9.561 1.00 17.67 C ATOM 1078 C VAL A 613 -10.500 12.334 9.350 1.00 17.71 C ATOM 1079 O VAL A 613 -10.430 13.353 10.059 1.00 16.78 O ATOM 1080 CB VAL A 613 -8.470 11.042 8.469 1.00 17.93 C ATOM 1081 CG1 VAL A 613 -7.944 12.432 8.081 1.00 17.72 C ATOM 1082 CG2 VAL A 613 -7.311 10.148 8.951 1.00 16.87 C ATOM 1083 HA VAL A 613 -9.074 11.278 10.523 1.00 0.00 H ATOM 1084 HB VAL A 613 -8.921 10.603 7.579 1.00 0.00 H ATOM 1085 HG11 VAL A 613 -8.766 13.036 7.698 1.00 0.00 H ATOM 1086 HG12 VAL A 613 -7.515 12.915 8.959 1.00 0.00 H ATOM 1087 HG13 VAL A 613 -7.179 12.328 7.312 1.00 0.00 H ATOM 1088 HG21 VAL A 613 -6.881 10.571 9.859 1.00 0.00 H ATOM 1089 HG22 VAL A 613 -7.688 9.147 9.158 1.00 0.00 H ATOM 1090 HG23 VAL A 613 -6.547 10.097 8.176 1.00 0.00 H ATOM 1091 H VAL A 613 -10.167 9.119 8.880 1.00 0.00 H ATOM 1092 N LEU A 614 -11.383 12.214 8.378 1.00 17.45 N ATOM 1093 CA LEU A 614 -12.331 13.287 8.067 1.00 16.55 C ATOM 1094 C LEU A 614 -13.173 13.584 9.286 1.00 17.12 C ATOM 1095 O LEU A 614 -13.322 14.739 9.677 1.00 17.33 O ATOM 1096 CB LEU A 614 -13.243 12.784 6.960 1.00 17.55 C ATOM 1097 CG LEU A 614 -13.531 13.695 5.791 1.00 21.70 C ATOM 1098 CD1 LEU A 614 -14.887 13.291 5.138 1.00 20.17 C ATOM 1099 CD2 LEU A 614 -13.404 15.187 6.067 1.00 18.20 C ATOM 1100 HA LEU A 614 -11.800 14.189 7.764 1.00 0.00 H ATOM 1101 HB2 LEU A 614 -12.791 11.878 6.558 1.00 0.00 H ATOM 1102 HB3 LEU A 614 -14.200 12.538 7.419 1.00 0.00 H ATOM 1103 HG LEU A 614 -12.729 13.537 5.069 1.00 0.00 H ATOM 1104 HD21 LEU A 614 -14.103 15.470 6.854 1.00 0.00 H ATOM 1105 HD22 LEU A 614 -12.386 15.411 6.385 1.00 0.00 H ATOM 1106 HD23 LEU A 614 -13.633 15.744 5.159 1.00 0.00 H ATOM 1107 HD11 LEU A 614 -14.828 12.260 4.790 1.00 0.00 H ATOM 1108 HD12 LEU A 614 -15.685 13.382 5.875 1.00 0.00 H ATOM 1109 HD13 LEU A 614 -15.093 13.950 4.294 1.00 0.00 H ATOM 1110 H LEU A 614 -11.407 11.337 7.819 1.00 0.00 H ATOM 1111 N GLN A 615 -13.678 12.532 9.938 1.00 16.89 N ATOM 1112 CA GLN A 615 -14.530 12.731 11.115 1.00 17.40 C ATOM 1113 C GLN A 615 -13.795 13.324 12.328 1.00 17.53 C ATOM 1114 O GLN A 615 -14.355 14.160 13.049 1.00 16.40 O ATOM 1115 CB GLN A 615 -15.263 11.452 11.467 1.00 17.28 C ATOM 1116 CG GLN A 615 -16.253 11.090 10.396 1.00 20.78 C ATOM 1117 CD GLN A 615 -17.049 9.859 10.730 1.00 26.19 C ATOM 1118 OE1 GLN A 615 -16.705 9.110 11.646 1.00 26.73 O ATOM 1119 NE2 GLN A 615 -18.118 9.622 9.960 1.00 27.66 N ATOM 1120 HA GLN A 615 -15.263 13.488 10.836 1.00 0.00 H ATOM 1121 HB2 GLN A 615 -14.540 10.643 11.573 1.00 0.00 H ATOM 1122 HB3 GLN A 615 -15.792 11.591 12.410 1.00 0.00 H ATOM 1123 HG2 GLN A 615 -16.941 11.924 10.261 1.00 0.00 H ATOM 1124 HG3 GLN A 615 -15.712 10.914 9.466 1.00 0.00 H ATOM 1125 HE22 GLN A 615 -18.368 10.285 9.199 1.00 0.00 H ATOM 1126 HE21 GLN A 615 -18.699 8.775 10.123 1.00 0.00 H ATOM 1127 H GLN A 615 -13.466 11.568 9.609 1.00 0.00 H ATOM 1128 N ALA A 616 -12.544 12.922 12.531 1.00 16.34 N ATOM 1129 CA ALA A 616 -11.712 13.502 13.578 1.00 17.36 C ATOM 1130 C ALA A 616 -11.442 15.001 13.321 1.00 17.70 C ATOM 1131 O ALA A 616 -11.525 15.833 14.234 1.00 18.94 O ATOM 1132 CB ALA A 616 -10.405 12.706 13.712 1.00 16.21 C ATOM 1133 HA ALA A 616 -12.251 13.438 14.523 1.00 0.00 H ATOM 1134 HB1 ALA A 616 -10.636 11.672 13.968 1.00 0.00 H ATOM 1135 HB2 ALA A 616 -9.864 12.736 12.766 1.00 0.00 H ATOM 1136 HB3 ALA A 616 -9.791 13.148 14.497 1.00 0.00 H ATOM 1137 H ALA A 616 -12.148 12.174 11.927 1.00 0.00 H ATOM 1138 N HIS A 617 -11.130 15.334 12.075 1.00 17.60 N ATOM 1139 CA HIS A 617 -10.956 16.731 11.660 1.00 20.04 C ATOM 1140 C HIS A 617 -12.233 17.534 11.927 1.00 21.54 C ATOM 1141 O HIS A 617 -12.176 18.630 12.477 1.00 21.19 O ATOM 1142 CB HIS A 617 -10.553 16.781 10.179 1.00 18.92 C ATOM 1143 CG HIS A 617 -10.209 18.154 9.676 1.00 18.87 C ATOM 1144 ND1 HIS A 617 -9.123 18.863 10.132 1.00 18.87 N ATOM 1145 CD2 HIS A 617 -10.782 18.915 8.718 1.00 20.28 C ATOM 1146 CE1 HIS A 617 -9.063 20.026 9.503 1.00 18.93 C ATOM 1147 NE2 HIS A 617 -10.056 20.077 8.634 1.00 16.66 N ATOM 1148 HA HIS A 617 -10.159 17.188 12.246 1.00 0.00 H ATOM 1149 HB2 HIS A 617 -9.683 16.139 10.040 1.00 0.00 H ATOM 1150 HB3 HIS A 617 -11.384 16.399 9.586 1.00 0.00 H ATOM 1151 HD2 HIS A 617 -11.657 18.655 8.123 1.00 0.00 H ATOM 1152 HE1 HIS A 617 -8.322 20.807 9.673 1.00 0.00 H ATOM 1153 H HIS A 617 -11.005 14.580 11.369 1.00 0.00 H ATOM 1154 N GLN A 618 -13.372 16.969 11.529 1.00 24.12 N ATOM 1155 CA GLN A 618 -14.670 17.614 11.667 1.00 26.25 C ATOM 1156 C GLN A 618 -14.980 17.886 13.120 1.00 27.24 C ATOM 1157 O GLN A 618 -15.580 18.922 13.447 1.00 27.60 O ATOM 1158 CB GLN A 618 -15.781 16.765 11.011 1.00 26.37 C ATOM 1159 CG GLN A 618 -15.762 16.825 9.474 1.00 27.91 C ATOM 1160 CD GLN A 618 -16.828 15.961 8.782 1.00 28.33 C ATOM 1161 OE1 GLN A 618 -17.252 14.931 9.308 1.00 34.02 O ATOM 1162 NE2 GLN A 618 -17.213 16.352 7.567 1.00 26.02 N ATOM 1163 HA GLN A 618 -14.631 18.571 11.146 1.00 0.00 H ATOM 1164 HB2 GLN A 618 -15.652 15.727 11.319 1.00 0.00 H ATOM 1165 HB3 GLN A 618 -16.747 17.129 11.360 1.00 0.00 H ATOM 1166 HG2 GLN A 618 -15.917 17.861 9.173 1.00 0.00 H ATOM 1167 HG3 GLN A 618 -14.782 16.492 9.133 1.00 0.00 H ATOM 1168 HE22 GLN A 618 -16.832 17.229 7.158 1.00 0.00 H ATOM 1169 HE21 GLN A 618 -17.895 15.780 7.029 1.00 0.00 H ATOM 1170 H GLN A 618 -13.332 16.023 11.100 1.00 0.00 H ATOM 1171 N ALA A 619 -14.572 16.965 13.997 1.00 28.38 N ATOM 1172 CA ALA A 619 -14.756 17.146 15.432 1.00 29.66 C ATOM 1173 C ALA A 619 -13.955 18.352 15.927 1.00 30.28 C ATOM 1174 O ALA A 619 -14.466 19.187 16.695 1.00 30.64 O ATOM 1175 CB ALA A 619 -14.359 15.887 16.193 1.00 29.16 C ATOM 1176 HA ALA A 619 -15.813 17.334 15.619 1.00 0.00 H ATOM 1177 HB1 ALA A 619 -14.978 15.053 15.862 1.00 0.00 H ATOM 1178 HB2 ALA A 619 -13.310 15.662 15.999 1.00 0.00 H ATOM 1179 HB3 ALA A 619 -14.506 16.048 17.261 1.00 0.00 H ATOM 1180 H ALA A 619 -14.113 16.099 13.649 1.00 0.00 H ATOM 1181 N LYS A 620 -12.715 18.460 15.474 1.00 31.45 N ATOM 1182 CA LYS A 620 -11.900 19.614 15.834 1.00 32.21 C ATOM 1183 C LYS A 620 -12.500 20.934 15.340 1.00 32.81 C ATOM 1184 O LYS A 620 -12.571 21.912 16.094 1.00 32.73 O ATOM 1185 CB LYS A 620 -10.470 19.459 15.339 1.00 32.32 C ATOM 1186 CG LYS A 620 -9.570 20.604 15.787 1.00 32.66 C ATOM 1187 CD LYS A 620 -8.118 20.237 15.641 1.00 35.44 C ATOM 1188 CE LYS A 620 -7.591 19.524 16.876 1.00 35.79 C ATOM 1189 NZ LYS A 620 -6.106 19.474 16.831 1.00 34.32 N ATOM 1190 HA LYS A 620 -11.887 19.653 16.923 1.00 0.00 H ATOM 1191 HB2 LYS A 620 -10.065 18.524 15.726 1.00 0.00 H ATOM 1192 HB3 LYS A 620 -10.479 19.426 14.250 1.00 0.00 H ATOM 1193 HG2 LYS A 620 -9.779 21.482 15.176 1.00 0.00 H ATOM 1194 HG3 LYS A 620 -9.777 20.832 16.833 1.00 0.00 H ATOM 1195 HD2 LYS A 620 -8.004 19.581 14.778 1.00 0.00 H ATOM 1196 HD3 LYS A 620 -7.538 21.146 15.483 1.00 0.00 H ATOM 1197 HE2 LYS A 620 -7.987 18.509 16.905 1.00 0.00 H ATOM 1198 HE3 LYS A 620 -7.909 20.063 17.769 1.00 0.00 H ATOM 1199 HZ1 LYS A 620 -5.803 18.959 15.980 1.00 0.00 H ATOM 1200 HZ2 LYS A 620 -5.728 20.443 16.804 1.00 0.00 H ATOM 1201 HZ3 LYS A 620 -5.751 18.985 17.678 1.00 0.00 H ATOM 1202 H LYS A 620 -12.321 17.719 14.859 1.00 0.00 H ATOM 1203 N GLU A 621 -12.951 20.964 14.092 1.00 33.42 N ATOM 1204 CA GLU A 621 -13.586 22.174 13.547 1.00 34.05 C ATOM 1205 C GLU A 621 -14.945 22.490 14.192 1.00 34.08 C ATOM 1206 O GLU A 621 -15.289 23.674 14.378 1.00 33.96 O ATOM 1207 CB GLU A 621 -13.708 22.070 12.022 1.00 34.01 C ATOM 1208 CG GLU A 621 -12.361 22.044 11.314 1.00 35.37 C ATOM 1209 CD GLU A 621 -12.461 21.928 9.788 1.00 35.76 C ATOM 1210 OE1 GLU A 621 -13.373 21.232 9.277 1.00 39.66 O ATOM 1211 OE2 GLU A 621 -11.605 22.537 9.102 1.00 37.90 O ATOM 1212 HA GLU A 621 -12.935 23.012 13.797 1.00 0.00 H ATOM 1213 HB2 GLU A 621 -14.246 21.153 11.779 1.00 0.00 H ATOM 1214 HB3 GLU A 621 -14.274 22.928 11.660 1.00 0.00 H ATOM 1215 HG2 GLU A 621 -11.829 22.965 11.554 1.00 0.00 H ATOM 1216 HG3 GLU A 621 -11.794 21.191 11.687 1.00 0.00 H ATOM 1217 H GLU A 621 -12.854 20.121 13.491 1.00 0.00 H ATOM 1218 N ALA A 622 -15.710 21.449 14.532 1.00 33.94 N ATOM 1219 CA ALA A 622 -17.052 21.620 15.130 1.00 33.88 C ATOM 1220 C ALA A 622 -16.999 22.232 16.523 1.00 34.38 C ATOM 1221 O ALA A 622 -17.899 22.982 16.917 1.00 33.55 O ATOM 1222 CB ALA A 622 -17.791 20.295 15.179 1.00 33.85 C ATOM 1223 HA ALA A 622 -17.591 22.315 14.487 1.00 0.00 H ATOM 1224 HB1 ALA A 622 -17.903 19.905 14.167 1.00 0.00 H ATOM 1225 HB2 ALA A 622 -17.224 19.586 15.782 1.00 0.00 H ATOM 1226 HB3 ALA A 622 -18.775 20.446 15.623 1.00 0.00 H ATOM 1227 H ALA A 622 -15.350 20.487 14.371 1.00 0.00 H ATOM 1228 N ALA A 623 -15.928 21.911 17.247 1.00 35.09 N ATOM 1229 CA ALA A 623 -15.730 22.319 18.628 1.00 35.21 C ATOM 1230 C ALA A 623 -15.420 23.804 18.722 1.00 35.62 C ATOM 1231 O ALA A 623 -15.298 24.353 19.816 1.00 35.88 O ATOM 1232 CB ALA A 623 -14.603 21.499 19.253 1.00 35.48 C ATOM 1233 HA ALA A 623 -16.654 22.136 19.177 1.00 0.00 H ATOM 1234 HB1 ALA A 623 -14.865 20.441 19.223 1.00 0.00 H ATOM 1235 HB2 ALA A 623 -13.683 21.663 18.693 1.00 0.00 H ATOM 1236 HB3 ALA A 623 -14.460 21.810 20.288 1.00 0.00 H ATOM 1237 H ALA A 623 -15.189 21.334 16.797 1.00 0.00 H TER 1238 ALA A 623 HETATM 1239 O HOH 2 -12.710 9.643 13.868 1.00 35.06 O HETATM 1240 O HOH 3 -0.475 11.698 -6.452 1.00 43.30 O HETATM 1241 O HOH 4 -11.971 -2.514 -5.306 1.00 28.31 O HETATM 1242 O HOH 5 -4.245 21.106 -10.908 1.00 57.57 O HETATM 1243 O HOH 6 0.790 9.135 -9.055 1.00 37.99 O HETATM 1244 O HOH 7 -1.862 14.653 -10.844 1.00 49.73 O HETATM 1245 O HOH 8 -12.787 16.131 -9.850 1.00 33.42 O HETATM 1246 O HOH 9 -14.444 -2.594 -4.075 1.00 25.44 O HETATM 1247 O HOH 10 -14.165 -2.005 -1.196 1.00 23.14 O HETATM 1248 O HOH 11 -8.098 -6.436 5.006 1.00 59.32 O HETATM 1249 O HOH 12 -7.645 15.211 -4.422 1.00 38.42 O HETATM 1250 O HOH 13 -6.670 -4.406 4.487 1.00 63.10 O HETATM 1251 O HOH 14 -13.743 4.402 9.808 1.00 38.04 O HETATM 1252 O HOH 15 -16.229 1.339 -10.447 1.00 45.90 O HETATM 1253 O HOH 16 -16.213 -4.082 -5.517 1.00 24.84 O HETATM 1254 O HOH 17 -12.126 21.277 0.040 1.00 49.12 O HETATM 1255 O HOH 18 -20.670 13.192 -2.190 1.00 39.38 O HETATM 1256 O HOH 19 -16.156 18.081 18.681 1.00 46.44 O HETATM 1257 O HOH 20 -19.386 0.477 -10.227 1.00 50.88 O HETATM 1258 O HOH 21 -12.442 5.944 -15.878 1.00 34.23 O HETATM 1259 O HOH 22 0.808 6.826 -2.298 1.00 41.35 O HETATM 1260 O HOH 23 -12.593 18.826 6.010 1.00 36.14 O HETATM 1261 O HOH 24 -9.813 22.641 1.807 1.00 28.97 O HETATM 1262 O HOH 25 -11.317 21.384 3.590 1.00 38.86 O HETATM 1263 O HOH 26 -8.086 23.174 8.165 1.00 28.83 O HETATM 1264 O HOH 27 -13.060 21.270 -2.287 1.00 41.01 O HETATM 1265 N THR A 28 0.193 10.464 3.799 1.00 0.24 N HETATM 1266 CA THR A 28 -1.065 10.184 4.566 1.00 0.09 C HETATM 1267 C THR A 28 -2.206 11.098 4.112 1.00 0.23 C HETATM 1268 O THR A 28 -1.989 12.049 3.360 1.00 -0.39 O HETATM 1269 N THR A 28 -3.409 10.812 4.601 1.00 -0.26 N HETATM 1270 CA THR A 28 -4.646 11.415 4.110 1.00 0.13 C HETATM 1271 C THR A 28 -4.900 12.796 4.719 1.00 0.20 C HETATM 1272 O THR A 28 -4.859 12.956 5.938 1.00 -0.39 O HETATM 1273 N THR A 28 -5.141 13.778 3.854 1.00 -0.26 N HETATM 1274 CA THR A 28 -5.394 15.157 4.277 1.00 0.15 C HETATM 1275 C THR A 28 -6.878 15.488 4.113 1.00 0.21 C HETATM 1276 O THR A 28 -7.396 15.513 2.972 1.00 -0.39 O HETATM 1277 N THR A 28 -7.568 15.760 5.232 1.00 -0.25 N HETATM 1278 CA THR A 28 -8.993 16.046 5.194 1.00 0.13 C HETATM 1279 C THR A 28 -9.299 17.379 4.519 1.00 0.20 C HETATM 1280 O THR A 28 -10.470 17.681 4.316 1.00 -0.39 O HETATM 1281 N THR A 28 -8.270 18.171 4.189 1.00 -0.26 N HETATM 1282 CA THR A 28 -8.460 19.400 3.420 1.00 0.15 C HETATM 1283 C THR A 28 -8.361 19.216 1.911 1.00 0.21 C HETATM 1284 O THR A 28 -8.419 20.169 1.177 1.00 -0.39 O HETATM 1285 N THR A 28 -8.265 17.971 1.451 1.00 -0.26 N HETATM 1286 CA THR A 28 -8.158 17.690 0.024 1.00 0.13 C HETATM 1287 C THR A 28 -9.342 18.209 -0.797 1.00 0.20 C HETATM 1288 O THR A 28 -10.474 18.312 -0.296 1.00 -0.39 O HETATM 1289 N THR A 28 -9.065 18.545 -2.060 1.00 -0.26 N HETATM 1290 CA THR A 28 -10.095 18.942 -3.016 1.00 0.13 C HETATM 1291 C THR A 28 -11.147 17.845 -3.125 1.00 0.20 C HETATM 1292 O THR A 28 -10.801 16.677 -3.324 1.00 -0.39 O HETATM 1293 N THR A 28 -12.421 18.209 -3.038 1.00 -0.26 N HETATM 1294 CA THR A 28 -13.479 17.238 -3.312 1.00 0.13 C HETATM 1295 C THR A 28 -13.450 16.792 -4.777 1.00 0.20 C HETATM 1296 O THR A 28 -13.123 17.570 -5.672 1.00 -0.39 O HETATM 1297 N THR A 28 -13.796 15.527 -4.994 1.00 -0.26 N HETATM 1298 CA THR A 28 -13.890 14.961 -6.328 1.00 0.14 C HETATM 1299 C THR A 28 -15.282 15.161 -6.911 1.00 0.21 C HETATM 1300 O THR A 28 -16.281 14.923 -6.234 1.00 -0.39 O HETATM 1301 N THR A 28 -15.331 15.556 -8.187 1.00 -0.26 N HETATM 1302 CA THR A 28 -16.592 15.660 -8.913 1.00 0.15 C HETATM 1303 C THR A 28 -16.703 14.619 -10.034 1.00 0.21 C HETATM 1304 O THR A 28 -15.948 14.668 -11.009 1.00 -0.39 O HETATM 1305 N THR A 28 -17.627 13.649 -9.880 1.00 -0.25 N HETATM 1306 CA THR A 28 -17.799 12.602 -10.885 1.00 0.13 C HETATM 1307 C THR A 28 -18.518 13.157 -12.110 1.00 0.20 C HETATM 1308 O THR A 28 -19.109 14.253 -12.044 1.00 -0.39 O HETATM 1309 N THR A 28 -18.463 12.407 -13.208 1.00 -0.26 N HETATM 1310 CA THR A 28 -19.186 12.761 -14.426 1.00 0.13 C HETATM 1311 C THR A 28 -20.678 12.666 -14.187 1.00 0.20 C HETATM 1312 O THR A 28 -21.453 13.441 -14.750 1.00 -0.39 O HETATM 1313 N THR A 28 -21.070 11.690 -13.368 1.00 -0.26 N HETATM 1314 CA THR A 28 -22.460 11.556 -12.910 1.00 0.15 C HETATM 1315 C THR A 28 -22.516 10.858 -11.540 1.00 0.21 C HETATM 1316 O THR A 28 -21.597 10.147 -11.172 1.00 -0.39 O HETATM 1317 N THR A 28 -23.620 11.059 -10.813 1.00 -0.26 N HETATM 1318 CA THR A 28 -23.835 10.451 -9.494 1.00 0.14 C HETATM 1319 C THR A 28 -24.494 9.083 -9.577 1.00 0.21 C HETATM 1320 O THR A 28 -24.400 8.283 -8.640 1.00 -0.39 O HETATM 1321 N THR A 28 -25.177 8.833 -10.694 1.00 -0.26 N HETATM 1322 CA THR A 28 -25.771 7.529 -10.991 1.00 0.15 C HETATM 1323 C THR A 28 -24.681 6.477 -11.151 1.00 0.21 C HETATM 1324 O THR A 28 -24.963 5.276 -11.151 1.00 -0.39 O HETATM 1325 N THR A 28 -23.443 6.954 -11.306 1.00 -0.27 N HETATM 1326 CA THR A 28 -22.244 6.161 -11.067 1.00 0.10 C HETATM 1327 C THR A 28 -22.381 5.553 -9.682 1.00 0.06 C HETATM 1328 O THR A 28 -22.720 4.380 -9.511 1.00 -0.57 O HETATM 1329 OXT THR A 28 -22.169 6.252 -8.692 1.00 -0.57 O HETATM 1330 CB THR A 28 -20.992 7.056 -11.084 1.00 -0.00 C HETATM 1331 CG THR A 28 -20.555 7.533 -12.455 1.00 0.04 C HETATM 1332 CD THR A 28 -19.180 8.193 -12.442 1.00 0.17 C HETATM 1333 OE1 THR A 28 -18.200 7.629 -11.937 1.00 -0.40 O HETATM 1334 NE2 THR A 28 -19.096 9.385 -13.026 1.00 -0.30 N HETATM 1335 H THR A 28 -18.199 9.869 -13.070 1.00 0.18 H HETATM 1336 H THR A 28 -19.928 9.815 -13.430 1.00 0.18 H HETATM 1337 H THR A 28 -21.277 8.274 -12.796 1.00 0.05 H HETATM 1338 H THR A 28 -20.501 6.663 -13.109 1.00 0.05 H HETATM 1339 H THR A 28 -20.174 6.455 -10.687 1.00 0.03 H HETATM 1340 H THR A 28 -21.238 7.948 -10.507 1.00 0.03 H HETATM 1341 H THR A 28 -22.140 5.400 -11.840 1.00 0.07 H HETATM 1342 H THR A 28 -23.331 7.922 -11.607 1.00 0.19 H HETATM 1343 CB THR A 28 -26.651 7.597 -12.240 1.00 0.08 C HETATM 1344 OG THR A 28 -26.140 8.532 -13.176 1.00 -0.39 O HETATM 1345 H THR A 28 -25.255 8.269 -13.438 1.00 0.21 H HETATM 1346 H THR A 28 -27.652 7.912 -11.944 1.00 0.06 H HETATM 1347 H THR A 28 -26.670 6.612 -12.707 1.00 0.06 H HETATM 1348 H THR A 28 -26.407 7.244 -10.153 1.00 0.08 H HETATM 1349 H THR A 28 -25.291 9.585 -11.373 1.00 0.19 H HETATM 1350 CB THR A 28 -24.666 11.372 -8.593 1.00 0.02 C HETATM 1351 CG THR A 28 -23.911 12.571 -8.114 1.00 -0.04 C HETATM 1352 CD1 THR A 28 -24.132 13.817 -8.681 1.00 -0.06 C HETATM 1353 CE1 THR A 28 -23.406 14.926 -8.238 1.00 -0.07 C HETATM 1354 CZ THR A 28 -22.439 14.789 -7.241 1.00 -0.07 C HETATM 1355 CE2 THR A 28 -22.208 13.558 -6.683 1.00 -0.07 C HETATM 1356 CD2 THR A 28 -22.953 12.452 -7.113 1.00 -0.06 C HETATM 1357 H THR A 28 -22.778 11.479 -6.654 1.00 0.06 H HETATM 1358 H THR A 28 -21.449 13.441 -5.909 1.00 0.06 H HETATM 1359 H THR A 28 -21.870 15.657 -6.907 1.00 0.06 H HETATM 1360 H THR A 28 -23.597 15.906 -8.675 1.00 0.06 H HETATM 1361 H THR A 28 -24.872 13.932 -9.473 1.00 0.06 H HETATM 1362 H THR A 28 -24.960 10.796 -7.715 1.00 0.05 H HETATM 1363 H THR A 28 -25.513 11.729 -9.179 1.00 0.05 H HETATM 1364 H THR A 28 -22.846 10.313 -9.058 1.00 0.08 H HETATM 1365 H THR A 28 -24.348 11.664 -11.193 1.00 0.19 H HETATM 1366 CB THR A 28 -23.308 10.786 -13.939 1.00 0.08 C HETATM 1367 OG THR A 28 -22.982 9.400 -13.978 1.00 -0.39 O HETATM 1368 H THR A 28 -23.533 8.961 -14.630 1.00 0.21 H HETATM 1369 H THR A 28 -23.110 11.208 -14.924 1.00 0.06 H HETATM 1370 H THR A 28 -24.355 10.880 -13.652 1.00 0.06 H HETATM 1371 H THR A 28 -22.877 12.558 -12.806 1.00 0.08 H HETATM 1372 H THR A 28 -20.380 11.011 -13.047 1.00 0.19 H HETATM 1373 CB THR A 28 -18.770 11.835 -15.574 1.00 -0.01 C HETATM 1374 CG THR A 28 -19.618 11.993 -16.840 1.00 -0.02 C HETATM 1375 CD THR A 28 -18.883 11.528 -18.074 1.00 0.06 C HETATM 1376 NE THR A 28 -19.627 11.842 -19.296 1.00 -0.27 N HETATM 1377 CZ THR A 28 -19.529 12.992 -19.965 1.00 0.29 C HETATM 1378 NH1 THR A 28 -18.722 13.959 -19.532 1.00 -0.28 N HETATM 1379 H THR A 28 -18.173 13.823 -18.683 1.00 0.26 H HETATM 1380 H THR A 28 -18.653 14.835 -20.049 1.00 0.26 H HETATM 1381 NH2 THR A 28 -20.235 13.178 -21.074 1.00 -0.28 N HETATM 1382 H THR A 28 -20.853 12.441 -21.415 1.00 0.26 H HETATM 1383 H THR A 28 -20.160 14.057 -21.585 1.00 0.26 H HETATM 1384 H THR A 28 -20.263 11.133 -19.660 1.00 0.26 H HETATM 1385 H THR A 28 -18.760 10.447 -18.014 1.00 0.07 H HETATM 1386 H THR A 28 -17.922 12.040 -18.115 1.00 0.07 H HETATM 1387 H THR A 28 -19.855 13.050 -16.962 1.00 0.03 H HETATM 1388 H THR A 28 -20.515 11.384 -16.728 1.00 0.03 H HETATM 1389 H THR A 28 -18.897 10.810 -15.225 1.00 0.03 H HETATM 1390 H THR A 28 -17.744 12.089 -15.838 1.00 0.03 H HETATM 1391 H THR A 28 -18.939 13.787 -14.700 1.00 0.08 H HETATM 1392 H THR A 28 -17.898 11.558 -13.198 1.00 0.19 H HETATM 1393 CB THR A 28 -18.694 11.593 -10.170 1.00 -0.01 C HETATM 1394 CG THR A 28 -19.535 12.443 -9.283 1.00 -0.03 C HETATM 1395 CD THR A 28 -18.586 13.508 -8.774 1.00 0.04 C HETATM 1396 H THR A 28 -19.091 14.443 -8.529 1.00 0.05 H HETATM 1397 H THR A 28 -18.109 13.235 -7.832 1.00 0.05 H HETATM 1398 H THR A 28 -19.983 11.870 -8.471 1.00 0.03 H HETATM 1399 H THR A 28 -20.386 12.871 -9.812 1.00 0.03 H HETATM 1400 H THR A 28 -18.124 10.847 -9.616 1.00 0.03 H HETATM 1401 H THR A 28 -19.288 10.996 -10.863 1.00 0.03 H HETATM 1402 H THR A 28 -16.857 12.182 -11.238 1.00 0.08 H HETATM 1403 CB THR A 28 -16.778 17.092 -9.421 1.00 0.08 C HETATM 1404 CG THR A 28 -16.670 18.129 -8.291 1.00 0.18 C HETATM 1405 OD1 THR A 28 -17.262 17.969 -7.212 1.00 -0.40 O HETATM 1406 ND2 THR A 28 -15.912 19.194 -8.537 1.00 -0.30 N HETATM 1407 H THR A 28 -15.801 19.916 -7.825 1.00 0.18 H HETATM 1408 H THR A 28 -15.442 19.288 -9.437 1.00 0.18 H HETATM 1409 H THR A 28 -17.773 17.170 -9.858 1.00 0.06 H HETATM 1410 H THR A 28 -15.992 17.299 -10.147 1.00 0.06 H HETATM 1411 H THR A 28 -17.407 15.434 -8.226 1.00 0.08 H HETATM 1412 H THR A 28 -14.462 15.791 -8.667 1.00 0.19 H HETATM 1413 CB THR A 28 -13.581 13.460 -6.274 1.00 0.02 C HETATM 1414 CG THR A 28 -13.694 12.801 -7.593 1.00 -0.04 C HETATM 1415 CD1 THR A 28 -12.709 12.978 -8.554 1.00 -0.06 C HETATM 1416 CE1 THR A 28 -12.841 12.381 -9.815 1.00 -0.07 C HETATM 1417 CZ THR A 28 -13.974 11.630 -10.125 1.00 -0.07 C HETATM 1418 CE2 THR A 28 -14.975 11.445 -9.167 1.00 -0.07 C HETATM 1419 CD2 THR A 28 -14.833 12.039 -7.912 1.00 -0.06 C HETATM 1420 H THR A 28 -15.618 11.910 -7.167 1.00 0.06 H HETATM 1421 H THR A 28 -15.855 10.845 -9.397 1.00 0.06 H HETATM 1422 H THR A 28 -14.079 11.187 -11.115 1.00 0.06 H HETATM 1423 H THR A 28 -12.053 12.505 -10.558 1.00 0.06 H HETATM 1424 H THR A 28 -11.831 13.583 -8.328 1.00 0.06 H HETATM 1425 H THR A 28 -14.306 12.995 -5.606 1.00 0.05 H HETATM 1426 H THR A 28 -12.553 13.344 -5.931 1.00 0.05 H HETATM 1427 H THR A 28 -13.167 15.471 -6.965 1.00 0.08 H HETATM 1428 H THR A 28 -14.003 14.931 -4.193 1.00 0.19 H HETATM 1429 CB THR A 28 -14.856 17.802 -2.963 1.00 -0.00 C HETATM 1430 CG THR A 28 -15.021 18.141 -1.480 1.00 0.00 C HETATM 1431 CD THR A 28 -16.474 18.287 -1.070 1.00 0.04 C HETATM 1432 OE1 THR A 28 -16.732 18.741 0.067 1.00 -0.57 O HETATM 1433 OE2 THR A 28 -17.354 17.942 -1.892 1.00 -0.57 O HETATM 1434 H THR A 28 -14.525 19.094 -1.298 1.00 0.04 H HETATM 1435 H THR A 28 -14.591 17.324 -0.900 1.00 0.04 H HETATM 1436 H THR A 28 -15.594 17.038 -3.208 1.00 0.03 H HETATM 1437 H THR A 28 -14.983 18.727 -3.526 1.00 0.03 H HETATM 1438 H THR A 28 -13.294 16.370 -2.679 1.00 0.08 H HETATM 1439 H THR A 28 -12.662 19.166 -2.780 1.00 0.19 H HETATM 1440 CB THR A 28 -9.498 19.091 -4.424 1.00 -0.01 C HETATM 1441 CG THR A 28 -8.566 20.236 -4.655 1.00 -0.04 C HETATM 1442 CD THR A 28 -7.808 20.037 -5.966 1.00 -0.01 C HETATM 1443 CE THR A 28 -6.987 21.267 -6.354 1.00 -0.04 C HETATM 1444 NZ THR A 28 -5.897 21.571 -5.378 1.00 0.22 N HETATM 1445 H THR A 28 -5.386 22.398 -5.688 1.00 0.20 H HETATM 1446 H THR A 28 -6.304 21.746 -4.459 1.00 0.20 H HETATM 1447 H THR A 28 -5.260 20.776 -5.323 1.00 0.20 H HETATM 1448 H THR A 28 -7.661 22.123 -6.377 1.00 0.08 H HETATM 1449 H THR A 28 -6.523 21.066 -7.319 1.00 0.08 H HETATM 1450 H THR A 28 -8.538 19.855 -6.755 1.00 0.03 H HETATM 1451 H THR A 28 -7.122 19.200 -5.836 1.00 0.03 H HETATM 1452 H THR A 28 -7.852 20.289 -3.833 1.00 0.03 H HETATM 1453 H THR A 28 -9.141 21.160 -4.710 1.00 0.03 H HETATM 1454 H THR A 28 -10.346 19.262 -5.088 1.00 0.03 H HETATM 1455 H THR A 28 -8.907 18.191 -4.591 1.00 0.03 H HETATM 1456 H THR A 28 -10.519 19.883 -2.666 1.00 0.08 H HETATM 1457 H THR A 28 -8.093 18.523 -2.369 1.00 0.19 H HETATM 1458 CB THR A 28 -7.994 16.194 -0.194 1.00 -0.02 C HETATM 1459 H THR A 28 -7.091 15.851 0.311 1.00 0.03 H HETATM 1460 H THR A 28 -8.860 15.672 0.213 1.00 0.03 H HETATM 1461 H THR A 28 -7.915 15.990 -1.262 1.00 0.03 H HETATM 1462 H THR A 28 -7.279 18.228 -0.332 1.00 0.08 H HETATM 1463 H THR A 28 -8.266 17.195 2.112 1.00 0.19 H HETATM 1464 CB THR A 28 -7.458 20.475 3.888 1.00 0.08 C HETATM 1465 CG THR A 28 -7.757 20.956 5.257 1.00 0.18 C HETATM 1466 OD1 THR A 28 -8.928 21.127 5.637 1.00 -0.40 O HETATM 1467 ND2 THR A 28 -6.716 21.231 6.010 1.00 -0.30 N HETATM 1468 H THR A 28 -6.851 21.602 6.951 1.00 0.18 H HETATM 1469 H THR A 28 -5.773 21.074 5.654 1.00 0.18 H HETATM 1470 H THR A 28 -7.526 21.323 3.207 1.00 0.06 H HETATM 1471 H THR A 28 -6.462 20.033 3.893 1.00 0.06 H HETATM 1472 H THR A 28 -9.483 19.720 3.615 1.00 0.08 H HETATM 1473 H THR A 28 -7.329 17.910 4.482 1.00 0.19 H HETATM 1474 CB THR A 28 -9.384 16.094 6.681 1.00 -0.01 C HETATM 1475 CG THR A 28 -8.114 16.538 7.355 1.00 -0.03 C HETATM 1476 CD THR A 28 -7.046 15.818 6.609 1.00 0.04 C HETATM 1477 H THR A 28 -6.082 16.322 6.669 1.00 0.05 H HETATM 1478 H THR A 28 -6.842 14.829 7.021 1.00 0.05 H HETATM 1479 H THR A 28 -8.106 16.305 8.420 1.00 0.03 H HETATM 1480 H THR A 28 -7.984 17.620 7.325 1.00 0.03 H HETATM 1481 H THR A 28 -9.745 15.135 7.053 1.00 0.03 H HETATM 1482 H THR A 28 -10.220 16.766 6.875 1.00 0.03 H HETATM 1483 H THR A 28 -9.544 15.303 4.617 1.00 0.08 H HETATM 1484 CB THR A 28 -4.510 16.136 3.452 1.00 0.08 C HETATM 1485 CG THR A 28 -4.613 17.594 3.925 1.00 0.18 C HETATM 1486 OD1 THR A 28 -5.611 17.999 4.471 1.00 -0.40 O HETATM 1487 ND2 THR A 28 -3.577 18.392 3.664 1.00 -0.30 N HETATM 1488 H THR A 28 -3.613 19.377 3.927 1.00 0.18 H HETATM 1489 H THR A 28 -2.749 18.018 3.201 1.00 0.18 H HETATM 1490 H THR A 28 -4.855 16.100 2.419 1.00 0.06 H HETATM 1491 H THR A 28 -3.473 15.823 3.572 1.00 0.06 H HETATM 1492 H THR A 28 -5.133 15.266 5.330 1.00 0.08 H HETATM 1493 H THR A 28 -5.150 13.562 2.857 1.00 0.19 H HETATM 1494 CB THR A 28 -5.816 10.479 4.416 1.00 -0.01 C HETATM 1495 CG THR A 28 -5.667 9.036 3.907 1.00 -0.04 C HETATM 1496 CD1 THR A 28 -6.649 8.094 4.598 1.00 -0.06 C HETATM 1497 H THR A 28 -6.464 8.102 5.672 1.00 0.02 H HETATM 1498 H THR A 28 -7.668 8.426 4.401 1.00 0.02 H HETATM 1499 H THR A 28 -6.514 7.083 4.212 1.00 0.02 H HETATM 1500 CD2 THR A 28 -5.837 8.991 2.399 1.00 -0.06 C HETATM 1501 H THR A 28 -6.827 9.362 2.135 1.00 0.02 H HETATM 1502 H THR A 28 -5.077 9.615 1.930 1.00 0.02 H HETATM 1503 H THR A 28 -5.729 7.963 2.053 1.00 0.02 H HETATM 1504 H THR A 28 -4.662 8.692 4.154 1.00 0.03 H HETATM 1505 H THR A 28 -6.686 10.897 3.909 1.00 0.03 H HETATM 1506 H THR A 28 -5.886 10.417 5.502 1.00 0.03 H HETATM 1507 H THR A 28 -4.549 11.556 3.034 1.00 0.08 H HETATM 1508 H THR A 28 -3.472 10.134 5.361 1.00 0.19 H HETATM 1509 CB THR A 28 -0.859 10.244 6.115 1.00 0.11 C HETATM 1510 OG1 THR A 28 -1.126 11.564 6.613 1.00 -0.38 O HETATM 1511 H THR A 28 -0.994 11.579 7.564 1.00 0.21 H HETATM 1512 CG2 THR A 28 0.557 9.807 6.518 1.00 -0.03 C HETATM 1513 H THR A 28 1.284 10.503 6.099 1.00 0.03 H HETATM 1514 H THR A 28 0.639 9.804 7.605 1.00 0.03 H HETATM 1515 H THR A 28 0.749 8.805 6.135 1.00 0.03 H HETATM 1516 H THR A 28 -1.567 9.546 6.561 1.00 0.07 H HETATM 1517 H THR A 28 -1.347 9.156 4.338 1.00 0.11 H HETATM 1518 H THR A 28 -0.001 10.411 2.799 1.00 0.20 H HETATM 1519 H THR A 28 0.531 11.398 4.032 1.00 0.20 H HETATM 1520 H THR A 28 0.901 9.773 4.046 1.00 0.20 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1265 1266 1518 1519 1520 CONECT 1266 1265 1267 1509 1517 CONECT 1267 1266 1268 1269 CONECT 1268 1267 CONECT 1269 1267 1270 1508 CONECT 1270 1269 1271 1494 1507 CONECT 1271 1270 1272 1273 CONECT 1272 1271 CONECT 1273 1271 1274 1493 CONECT 1274 1273 1275 1484 1492 CONECT 1275 1274 1276 1277 CONECT 1276 1275 CONECT 1277 1275 1278 1476 CONECT 1278 1277 1279 1474 1483 CONECT 1279 1278 1280 1281 CONECT 1280 1279 CONECT 1281 1279 1282 1473 CONECT 1282 1281 1283 1464 1472 CONECT 1283 1282 1284 1285 CONECT 1284 1283 CONECT 1285 1283 1286 1463 CONECT 1286 1285 1287 1458 1462 CONECT 1287 1286 1288 1289 CONECT 1288 1287 CONECT 1289 1287 1290 1457 CONECT 1290 1289 1291 1440 1456 CONECT 1291 1290 1292 1293 CONECT 1292 1291 CONECT 1293 1291 1294 1439 CONECT 1294 1293 1295 1429 1438 CONECT 1295 1294 1296 1297 CONECT 1296 1295 CONECT 1297 1295 1298 1428 CONECT 1298 1297 1299 1413 1427 CONECT 1299 1298 1300 1301 CONECT 1300 1299 CONECT 1301 1299 1302 1412 CONECT 1302 1301 1303 1403 1411 CONECT 1303 1302 1304 1305 CONECT 1304 1303 CONECT 1305 1303 1306 1395 CONECT 1306 1305 1307 1393 1402 CONECT 1307 1306 1308 1309 CONECT 1308 1307 CONECT 1309 1307 1310 1392 CONECT 1310 1309 1311 1373 1391 CONECT 1311 1310 1312 1313 CONECT 1312 1311 CONECT 1313 1311 1314 1372 CONECT 1314 1313 1315 1366 1371 CONECT 1315 1314 1316 1317 CONECT 1316 1315 CONECT 1317 1315 1318 1365 CONECT 1318 1317 1319 1350 1364 CONECT 1319 1318 1320 1321 CONECT 1320 1319 CONECT 1321 1319 1322 1349 CONECT 1322 1321 1323 1343 1348 CONECT 1323 1322 1324 1325 CONECT 1324 1323 CONECT 1325 1323 1326 1342 CONECT 1326 1325 1327 1330 1341 CONECT 1327 1326 1328 1329 CONECT 1328 1327 CONECT 1329 1327 CONECT 1330 1326 1331 1339 1340 CONECT 1331 1330 1332 1337 1338 CONECT 1332 1331 1333 1334 CONECT 1333 1332 CONECT 1334 1332 1335 1336 CONECT 1335 1334 CONECT 1336 1334 CONECT 1337 1331 CONECT 1338 1331 CONECT 1339 1330 CONECT 1340 1330 CONECT 1341 1326 CONECT 1342 1325 CONECT 1343 1322 1344 1346 1347 CONECT 1344 1343 1345 CONECT 1345 1344 CONECT 1346 1343 CONECT 1347 1343 CONECT 1348 1322 CONECT 1349 1321 CONECT 1350 1318 1351 1362 1363 CONECT 1351 1350 1352 1356 CONECT 1352 1351 1353 1361 CONECT 1353 1352 1354 1360 CONECT 1354 1353 1355 1359 CONECT 1355 1354 1356 1358 CONECT 1356 1351 1355 1357 CONECT 1357 1356 CONECT 1358 1355 CONECT 1359 1354 CONECT 1360 1353 CONECT 1361 1352 CONECT 1362 1350 CONECT 1363 1350 CONECT 1364 1318 CONECT 1365 1317 CONECT 1366 1314 1367 1369 1370 CONECT 1367 1366 1368 CONECT 1368 1367 CONECT 1369 1366 CONECT 1370 1366 CONECT 1371 1314 CONECT 1372 1313 CONECT 1373 1310 1374 1389 1390 CONECT 1374 1373 1375 1387 1388 CONECT 1375 1374 1376 1385 1386 CONECT 1376 1375 1377 1384 CONECT 1377 1376 1378 1381 CONECT 1378 1377 1379 1380 CONECT 1379 1378 CONECT 1380 1378 CONECT 1381 1377 1382 1383 CONECT 1382 1381 CONECT 1383 1381 CONECT 1384 1376 CONECT 1385 1375 CONECT 1386 1375 CONECT 1387 1374 CONECT 1388 1374 CONECT 1389 1373 CONECT 1390 1373 CONECT 1391 1310 CONECT 1392 1309 CONECT 1393 1306 1394 1400 1401 CONECT 1394 1393 1395 1398 1399 CONECT 1395 1305 1394 1396 1397 CONECT 1396 1395 CONECT 1397 1395 CONECT 1398 1394 CONECT 1399 1394 CONECT 1400 1393 CONECT 1401 1393 CONECT 1402 1306 CONECT 1403 1302 1404 1409 1410 CONECT 1404 1403 1405 1406 CONECT 1405 1404 CONECT 1406 1404 1407 1408 CONECT 1407 1406 CONECT 1408 1406 CONECT 1409 1403 CONECT 1410 1403 CONECT 1411 1302 CONECT 1412 1301 CONECT 1413 1298 1414 1425 1426 CONECT 1414 1413 1415 1419 CONECT 1415 1414 1416 1424 CONECT 1416 1415 1417 1423 CONECT 1417 1416 1418 1422 CONECT 1418 1417 1419 1421 CONECT 1419 1414 1418 1420 CONECT 1420 1419 CONECT 1421 1418 CONECT 1422 1417 CONECT 1423 1416 CONECT 1424 1415 CONECT 1425 1413 CONECT 1426 1413 CONECT 1427 1298 CONECT 1428 1297 CONECT 1429 1294 1430 1436 1437 CONECT 1430 1429 1431 1434 1435 CONECT 1431 1430 1432 1433 CONECT 1432 1431 CONECT 1433 1431 CONECT 1434 1430 CONECT 1435 1430 CONECT 1436 1429 CONECT 1437 1429 CONECT 1438 1294 CONECT 1439 1293 CONECT 1440 1290 1441 1454 1455 CONECT 1441 1440 1442 1452 1453 CONECT 1442 1441 1443 1450 1451 CONECT 1443 1442 1444 1448 1449 CONECT 1444 1443 1445 1446 1447 CONECT 1445 1444 CONECT 1446 1444 CONECT 1447 1444 CONECT 1448 1443 CONECT 1449 1443 CONECT 1450 1442 CONECT 1451 1442 CONECT 1452 1441 CONECT 1453 1441 CONECT 1454 1440 CONECT 1455 1440 CONECT 1456 1290 CONECT 1457 1289 CONECT 1458 1286 1459 1460 1461 CONECT 1459 1458 CONECT 1460 1458 CONECT 1461 1458 CONECT 1462 1286 CONECT 1463 1285 CONECT 1464 1282 1465 1470 1471 CONECT 1465 1464 1466 1467 CONECT 1466 1465 CONECT 1467 1465 1468 1469 CONECT 1468 1467 CONECT 1469 1467 CONECT 1470 1464 CONECT 1471 1464 CONECT 1472 1282 CONECT 1473 1281 CONECT 1474 1278 1475 1481 1482 CONECT 1475 1474 1476 1479 1480 CONECT 1476 1277 1475 1477 1478 CONECT 1477 1476 CONECT 1478 1476 CONECT 1479 1475 CONECT 1480 1475 CONECT 1481 1474 CONECT 1482 1474 CONECT 1483 1278 CONECT 1484 1274 1485 1490 1491 CONECT 1485 1484 1486 1487 CONECT 1486 1485 CONECT 1487 1485 1488 1489 CONECT 1488 1487 CONECT 1489 1487 CONECT 1490 1484 CONECT 1491 1484 CONECT 1492 1274 CONECT 1493 1273 CONECT 1494 1270 1495 1505 1506 CONECT 1495 1494 1496 1500 1504 CONECT 1496 1495 1497 1498 1499 CONECT 1497 1496 CONECT 1498 1496 CONECT 1499 1496 CONECT 1500 1495 1501 1502 1503 CONECT 1501 1500 CONECT 1502 1500 CONECT 1503 1500 CONECT 1504 1495 CONECT 1505 1494 CONECT 1506 1494 CONECT 1507 1270 CONECT 1508 1269 CONECT 1509 1266 1510 1512 1516 CONECT 1510 1509 1511 CONECT 1511 1510 CONECT 1512 1509 1513 1514 1515 CONECT 1513 1512 CONECT 1514 1512 CONECT 1515 1512 CONECT 1516 1509 CONECT 1517 1266 CONECT 1518 1265 CONECT 1519 1265 CONECT 1520 1265 MASTER 0 0 0 0 0 0 0 0 1519 1 260 7 END
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Entry Information
PDB ID
3ktr
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Polyadenylate-binding protein 1, poly(A)-binding protein
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=0.7uM
Release Year
2010
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) J.Biol.Chem. Vol. 285: pp. 13599-13606
Ligand Properties
Formula
C
8
1
H
1
2
7
N
2
4
O
2
6
Molecular Weight
1853.020
Exact Mass
1851.940
No. of atoms
258
No. of bonds
261
Polar Surface Area
847.86
LOGP Value
-9.92 (
Computed with XLOGP3
)
-5.66 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 22
No. of Hydrogen Bond Acceptors: 26
No. of Rotatable Bonds: 74
No. of Nitrogen and Oxygen Atoms: 50
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)N1CCC[C@H]1C(=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)CCC(=O)N)CO)Cc1ccccc1)CO)CCC[NH+]=C(N)N)CC(=O)N)Cc1ccccc1)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)[NH3+])CC(C)C)CC(=O)N)CC(=O)N)C
InChI String
InChI=1S/C81H124N24O26/c1-40(2)32-49(99-77(127)64(87)42(4)108)70(120)100-53(36-61(85)111)78(128)105-31-15-23-58(105)76(126)98-52(35-60(84)110)69(119)91-41(3)65(115)92-45(20-11-12-28-82)66(116)93-47(25-27-63(113)114)68(118)96-50(33-43-16-7-5-8-17-43)71(121)101-54(37-62(86)112)79(129)104-30-14-22-57(104)75(125)94-46(21-13-29-90-81(88)89)67(117)102-56(39-107)74(124)97-51(34-44-18-9-6-10-19-44)72(122)103-55(38-106)73(123)95-48(80(130)131)24-26-59(83)109/h5-10,16-19,40-42,45-58,64,106-108H,11-15,20-39,82,87H2,1-4H3,(H2,83,109)(H2,84,110)(H2,85,111)(H2,86,112)(H,91,119)(H,92,115)(H,93,116)(H,94,125)(H,95,123)(H,96,118)(H,97,124)(H,98,126)(H,99,127)(H,100,120)(H,101,121)(H,102,117)(H,103,122)(H,113,114)(H,130,131)(H4,88,89,90)/p+3/t41-,42+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
Q99700
P11940
Entrez Gene ID
NCBI Entrez Gene ID:
6311
26986
ASD
Information of known allosteric effects of PDB entries
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