Browse entries in the PDBbind-CN Database
HEADER 5Y59_COMPLEX COMPND 5Y59_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 141 SER SER GLU SER THR THR PHE ILE VAL ASP VAL SER PRO SEQRES 2 B 141 SER MET MET LYS ASN ASN ASN VAL SER LYS SER MET ALA SEQRES 3 B 141 TYR LEU GLU TYR THR LEU LEU ASN LYS SER LYS LYS SER SEQRES 4 B 141 ARG LYS THR ASP TRP ILE SER CYS TYR LEU ALA ASN CYS SEQRES 5 B 141 PRO VAL SER GLU ASN SER GLN GLU ILE PRO ASN VAL PHE SEQRES 6 B 141 GLN ILE GLN SER PHE LEU ALA PRO VAL THR THR THR ALA SEQRES 7 B 141 THR ILE GLY PHE ILE LYS ARG LEU LYS GLN TYR CYS ASP SEQRES 8 B 141 GLN HIS SER HIS ASP SER SER ASN GLU GLY LEU GLN SER SEQRES 9 B 141 MET ILE GLN CYS LEU LEU VAL VAL SER LEU ASP ILE LYS SEQRES 10 B 141 GLN GLN PHE GLN ALA ARG LYS ILE LEU LYS GLN ILE VAL SEQRES 11 B 141 VAL PHE THR ASP ASN LEU ASP ASP LEU ASP ILE SEQRES 1 B 21 GLU GLU ILE ASP LEU LEU THR GLU GLU LEU SER THR ARG SEQRES 2 B 21 ILE ILE LEU ILE ASP CYS GLY LYS SEQRES 1 B 26 SER ASN TRP LEU LYS LEU VAL GLU ALA ILE PRO ASN SER SEQRES 2 B 26 ARG ILE TYR ASN MET ASN GLU LEU LEU VAL GLU ILE THR HET ASN A 224 208 ATOM 1 N SER B 2 28.303 5.102 5.126 1.00 97.70 N ATOM 2 CA SER B 2 27.778 6.439 5.388 1.00 95.20 C ATOM 3 C SER B 2 28.304 7.482 4.410 1.00 91.23 C ATOM 4 O SER B 2 27.520 8.180 3.768 1.00 97.45 O ATOM 5 CB SER B 2 28.111 6.881 6.810 1.00 97.25 C ATOM 6 OG SER B 2 27.368 6.135 7.749 1.00104.04 O ATOM 7 HG SER B 2 27.598 6.436 8.664 1.00 0.00 H ATOM 8 HN3 SER B 2 29.340 5.117 5.204 1.00 0.00 H ATOM 9 HN2 SER B 2 28.030 4.805 4.167 1.00 0.00 H ATOM 10 HN1 SER B 2 27.912 4.435 5.821 1.00 0.00 H ATOM 11 N SER B 3 29.630 7.583 4.310 1.00 82.10 N ATOM 12 CA SER B 3 30.295 8.630 3.531 1.00 74.48 C ATOM 13 C SER B 3 29.759 8.795 2.105 1.00 68.50 C ATOM 14 O SER B 3 29.574 7.825 1.371 1.00 61.50 O ATOM 15 CB SER B 3 31.802 8.377 3.481 1.00 74.25 C ATOM 16 OG SER B 3 32.405 8.715 4.725 1.00 79.72 O ATOM 17 HG SER B 3 33.379 8.545 4.675 1.00 0.00 H ATOM 18 H SER B 3 30.219 6.886 4.808 1.00 0.00 H ATOM 19 N GLU B 4 29.551 10.040 1.718 1.00 54.70 N ATOM 20 CA GLU B 4 29.034 10.302 0.417 1.00 49.35 C ATOM 21 C GLU B 4 29.584 11.552 -0.237 1.00 45.08 C ATOM 22 O GLU B 4 29.939 12.501 0.398 1.00 39.96 O ATOM 23 CB GLU B 4 27.536 10.331 0.548 1.00 56.97 C ATOM 24 CG GLU B 4 26.775 11.147 -0.450 1.00 76.49 C ATOM 25 CD GLU B 4 25.332 11.265 -0.052 1.00 93.45 C ATOM 26 OE1 GLU B 4 24.982 12.220 0.690 1.00 98.03 O ATOM 27 OE2 GLU B 4 24.565 10.388 -0.474 1.00101.44 O ATOM 28 H GLU B 4 29.764 10.828 2.362 1.00 0.00 H ATOM 29 N SER B 5 29.670 11.498 -1.547 1.00 52.67 N ATOM 30 CA SER B 5 30.103 12.650 -2.320 1.00 41.77 C ATOM 31 C SER B 5 29.005 13.039 -3.283 1.00 36.88 C ATOM 32 O SER B 5 28.602 12.253 -4.132 1.00 42.80 O ATOM 33 CB SER B 5 31.398 12.360 -3.077 1.00 47.45 C ATOM 34 OG SER B 5 31.722 13.406 -3.984 1.00 39.75 O ATOM 35 HG SER B 5 30.991 13.508 -4.644 1.00 0.00 H ATOM 36 H SER B 5 29.424 10.616 -2.039 1.00 0.00 H ATOM 37 N THR B 6 28.505 14.254 -3.132 1.00 34.91 N ATOM 38 CA THR B 6 27.548 14.802 -4.084 1.00 36.04 C ATOM 39 C THR B 6 28.212 15.935 -4.879 1.00 31.97 C ATOM 40 O THR B 6 28.765 16.859 -4.305 1.00 28.76 O ATOM 41 CB THR B 6 26.257 15.307 -3.373 1.00 29.70 C ATOM 42 OG1 THR B 6 25.732 14.269 -2.536 1.00 34.12 O ATOM 43 CG2 THR B 6 25.190 15.697 -4.392 1.00 28.32 C ATOM 44 HG1 THR B 6 26.408 14.022 -1.856 1.00 0.00 H ATOM 45 H THR B 6 28.801 14.829 -2.318 1.00 0.00 H ATOM 46 N THR B 7 28.196 15.817 -6.204 1.00 33.91 N ATOM 47 CA THR B 7 28.591 16.885 -7.117 1.00 26.37 C ATOM 48 C THR B 7 27.315 17.424 -7.700 1.00 27.55 C ATOM 49 O THR B 7 26.543 16.640 -8.268 1.00 25.22 O ATOM 50 CB THR B 7 29.488 16.391 -8.287 1.00 33.20 C ATOM 51 OG1 THR B 7 30.687 15.802 -7.775 1.00 33.13 O ATOM 52 CG2 THR B 7 29.841 17.540 -9.225 1.00 26.06 C ATOM 53 HG1 THR B 7 30.455 15.033 -7.197 1.00 0.00 H ATOM 54 H THR B 7 27.884 14.913 -6.612 1.00 0.00 H ATOM 55 N PHE B 8 27.072 18.732 -7.550 1.00 25.49 N ATOM 56 CA PHE B 8 25.908 19.383 -8.176 1.00 24.14 C ATOM 57 C PHE B 8 26.258 19.984 -9.524 1.00 21.24 C ATOM 58 O PHE B 8 27.272 20.674 -9.655 1.00 21.99 O ATOM 59 CB PHE B 8 25.338 20.480 -7.271 1.00 19.09 C ATOM 60 CG PHE B 8 24.929 19.987 -5.916 1.00 27.55 C ATOM 61 CD1 PHE B 8 23.811 19.170 -5.770 1.00 22.69 C ATOM 62 CD2 PHE B 8 25.671 20.318 -4.783 1.00 22.95 C ATOM 63 CE1 PHE B 8 23.441 18.694 -4.522 1.00 22.89 C ATOM 64 CE2 PHE B 8 25.306 19.858 -3.547 1.00 22.31 C ATOM 65 CZ PHE B 8 24.189 19.045 -3.406 1.00 26.12 C ATOM 66 H PHE B 8 27.723 19.304 -6.976 1.00 0.00 H ATOM 67 N ILE B 9 25.424 19.725 -10.525 1.00 22.35 N ATOM 68 CA ILE B 9 25.536 20.394 -11.801 1.00 22.91 C ATOM 69 C ILE B 9 24.300 21.243 -11.963 1.00 25.31 C ATOM 70 O ILE B 9 23.186 20.724 -11.962 1.00 24.02 O ATOM 71 CB ILE B 9 25.665 19.404 -12.988 1.00 31.64 C ATOM 72 CG1 ILE B 9 26.964 18.586 -12.868 1.00 35.45 C ATOM 73 CG2 ILE B 9 25.640 20.156 -14.324 1.00 26.38 C ATOM 74 CD1 ILE B 9 27.107 17.468 -13.925 1.00 29.81 C ATOM 75 H ILE B 9 24.670 19.022 -10.387 1.00 0.00 H ATOM 76 N VAL B 10 24.481 22.552 -12.104 1.00 25.03 N ATOM 77 CA VAL B 10 23.350 23.445 -12.353 1.00 26.79 C ATOM 78 C VAL B 10 23.415 24.037 -13.772 1.00 28.46 C ATOM 79 O VAL B 10 24.392 24.723 -14.131 1.00 24.63 O ATOM 80 CB VAL B 10 23.288 24.594 -11.329 1.00 20.31 C ATOM 81 CG1 VAL B 10 22.102 25.519 -11.628 1.00 20.64 C ATOM 82 CG2 VAL B 10 23.247 24.048 -9.905 1.00 18.78 C ATOM 83 H VAL B 10 25.441 22.947 -12.036 1.00 0.00 H ATOM 84 N ASP B 11 22.380 23.740 -14.557 1.00 24.73 N ATOM 85 CA ASP B 11 22.171 24.290 -15.888 1.00 26.69 C ATOM 86 C ASP B 11 21.853 25.780 -15.746 1.00 34.82 C ATOM 87 O ASP B 11 20.861 26.139 -15.079 1.00 35.41 O ATOM 88 CB ASP B 11 21.017 23.528 -16.587 1.00 29.08 C ATOM 89 CG ASP B 11 20.812 23.935 -18.035 1.00 35.85 C ATOM 90 OD1 ASP B 11 21.376 24.955 -18.462 1.00 31.68 O ATOM 91 OD2 ASP B 11 20.061 23.236 -18.768 1.00 41.47 O ATOM 92 H ASP B 11 21.673 23.069 -14.194 1.00 0.00 H ATOM 93 N VAL B 12 22.662 26.662 -16.339 1.00 30.67 N ATOM 94 CA VAL B 12 22.335 28.091 -16.219 1.00 31.74 C ATOM 95 C VAL B 12 21.960 28.780 -17.547 1.00 33.98 C ATOM 96 O VAL B 12 22.119 30.000 -17.709 1.00 38.28 O ATOM 97 CB VAL B 12 23.444 28.856 -15.429 1.00 29.71 C ATOM 98 CG1 VAL B 12 23.545 28.275 -14.025 1.00 23.21 C ATOM 99 CG2 VAL B 12 24.806 28.784 -16.119 1.00 32.79 C ATOM 100 H VAL B 12 23.499 26.347 -16.870 1.00 0.00 H ATOM 101 N SER B 13 21.400 27.988 -18.464 1.00 31.65 N ATOM 102 CA SER B 13 20.777 28.492 -19.698 1.00 34.85 C ATOM 103 C SER B 13 19.678 29.538 -19.481 1.00 45.91 C ATOM 104 O SER B 13 19.052 29.564 -18.405 1.00 43.80 O ATOM 105 CB SER B 13 20.103 27.362 -20.464 1.00 43.71 C ATOM 106 OG SER B 13 18.886 27.018 -19.820 1.00 44.90 O ATOM 107 HG SER B 13 18.447 26.283 -20.317 1.00 0.00 H ATOM 108 H SER B 13 21.404 26.961 -18.298 1.00 0.00 H ATOM 109 N PRO B 14 19.433 30.405 -20.494 1.00 44.84 N ATOM 110 CA PRO B 14 18.390 31.417 -20.339 1.00 40.85 C ATOM 111 C PRO B 14 17.043 30.922 -19.867 1.00 50.91 C ATOM 112 O PRO B 14 16.409 31.648 -19.098 1.00 60.71 O ATOM 113 CB PRO B 14 18.281 32.035 -21.738 1.00 50.65 C ATOM 114 CG PRO B 14 19.635 31.810 -22.341 1.00 44.23 C ATOM 115 CD PRO B 14 20.026 30.442 -21.847 1.00 46.47 C ATOM 116 N SER B 15 16.590 29.743 -20.275 1.00 42.45 N ATOM 117 CA SER B 15 15.306 29.280 -19.749 1.00 47.02 C ATOM 118 C SER B 15 15.427 28.916 -18.263 1.00 50.03 C ATOM 119 O SER B 15 14.492 29.160 -17.479 1.00 54.37 O ATOM 120 CB SER B 15 14.757 28.102 -20.555 1.00 48.72 C ATOM 121 OG SER B 15 15.607 26.977 -20.505 1.00 57.77 O ATOM 122 HG SER B 15 16.493 27.217 -20.876 1.00 0.00 H ATOM 123 H SER B 15 17.132 29.165 -20.949 1.00 0.00 H ATOM 124 N MET B 16 16.580 28.373 -17.858 1.00 42.12 N ATOM 125 CA MET B 16 16.801 28.068 -16.448 1.00 40.09 C ATOM 126 C MET B 16 16.868 29.368 -15.650 1.00 39.25 C ATOM 127 O MET B 16 16.311 29.473 -14.551 1.00 37.71 O ATOM 128 CB MET B 16 18.072 27.234 -16.261 1.00 35.50 C ATOM 129 CG MET B 16 17.948 25.762 -16.665 1.00 31.85 C ATOM 130 SD MET B 16 17.074 24.708 -15.474 1.00 31.22 S ATOM 131 CE MET B 16 18.041 24.981 -13.977 1.00 27.49 C ATOM 132 H MET B 16 17.325 28.166 -18.553 1.00 0.00 H ATOM 133 N MET B 17 17.518 30.376 -16.217 1.00 46.55 N ATOM 134 CA MET B 17 17.664 31.648 -15.516 1.00 47.34 C ATOM 135 C MET B 17 16.419 32.537 -15.596 1.00 56.13 C ATOM 136 O MET B 17 16.276 33.450 -14.800 1.00 61.50 O ATOM 137 CB MET B 17 18.874 32.419 -16.060 1.00 44.31 C ATOM 138 CG MET B 17 20.202 31.739 -15.811 1.00 40.61 C ATOM 139 SD MET B 17 20.909 32.101 -14.186 1.00 48.58 S ATOM 140 CE MET B 17 21.635 33.717 -14.480 1.00 58.13 C ATOM 141 H MET B 17 17.926 30.259 -17.167 1.00 0.00 H ATOM 142 N LYS B 18 15.526 32.297 -16.549 1.00 64.75 N ATOM 143 CA LYS B 18 14.368 33.186 -16.686 1.00 72.09 C ATOM 144 C LYS B 18 13.157 32.688 -15.896 1.00 67.95 C ATOM 145 O LYS B 18 12.341 33.485 -15.435 1.00 74.37 O ATOM 146 CB LYS B 18 13.991 33.384 -18.169 1.00 76.49 C ATOM 147 CG LYS B 18 14.840 34.439 -18.880 1.00 79.33 C ATOM 148 CD LYS B 18 14.728 34.384 -20.404 1.00 88.78 C ATOM 149 CE LYS B 18 15.837 35.228 -21.073 1.00 91.31 C ATOM 150 NZ LYS B 18 15.920 35.055 -22.561 1.00 93.38 N ATOM 151 HZ1 LYS B 18 16.116 34.058 -22.782 1.00 0.00 H ATOM 152 HZ2 LYS B 18 15.016 35.336 -22.992 1.00 0.00 H ATOM 153 HZ3 LYS B 18 16.685 35.651 -22.936 1.00 0.00 H ATOM 154 H LYS B 18 15.647 31.488 -17.191 1.00 0.00 H ATOM 155 N ASN B 19 13.045 31.379 -15.726 1.00 51.34 N ATOM 156 CA ASN B 19 11.872 30.818 -15.066 1.00 46.37 C ATOM 157 C ASN B 19 12.106 30.513 -13.585 1.00 41.35 C ATOM 158 O ASN B 19 11.359 29.717 -12.983 1.00 39.55 O ATOM 159 CB ASN B 19 11.420 29.547 -15.796 1.00 51.54 C ATOM 160 CG ASN B 19 11.208 29.776 -17.280 1.00 65.86 C ATOM 161 OD1 ASN B 19 10.628 30.794 -17.681 1.00 66.85 O ATOM 162 ND2 ASN B 19 11.702 28.843 -18.114 1.00 66.78 N ATOM 163 HD22 ASN B 19 12.182 28.004 -17.730 1.00 0.00 H ATOM 164 HD21 ASN B 19 11.604 28.961 -19.143 1.00 0.00 H ATOM 165 H ASN B 19 13.798 30.748 -16.065 1.00 0.00 H ATOM 166 N ASN B 20 13.133 31.149 -13.017 1.00 36.83 N ATOM 167 CA ASN B 20 13.528 30.947 -11.623 1.00 42.82 C ATOM 168 C ASN B 20 13.977 29.519 -11.252 1.00 39.57 C ATOM 169 O ASN B 20 14.057 29.182 -10.076 1.00 37.48 O ATOM 170 CB ASN B 20 12.392 31.375 -10.679 1.00 40.44 C ATOM 171 CG ASN B 20 12.108 32.863 -10.753 1.00 50.02 C ATOM 172 OD1 ASN B 20 10.972 33.280 -11.036 1.00 50.52 O ATOM 173 ND2 ASN B 20 13.151 33.685 -10.502 1.00 51.15 N ATOM 174 HD22 ASN B 20 14.083 33.286 -10.269 1.00 0.00 H ATOM 175 HD21 ASN B 20 13.022 34.716 -10.541 1.00 0.00 H ATOM 176 H ASN B 20 13.679 31.821 -13.594 1.00 0.00 H ATOM 177 N ASN B 21 14.315 28.695 -12.230 1.00 35.39 N ATOM 178 CA ASN B 21 14.824 27.371 -11.914 1.00 33.43 C ATOM 179 C ASN B 21 16.200 27.379 -11.243 1.00 31.28 C ATOM 180 O ASN B 21 16.477 26.528 -10.414 1.00 29.95 O ATOM 181 CB ASN B 21 14.849 26.531 -13.170 1.00 36.81 C ATOM 182 CG ASN B 21 13.456 26.287 -13.705 1.00 41.81 C ATOM 183 OD1 ASN B 21 12.489 26.286 -12.944 1.00 48.97 O ATOM 184 ND2 ASN B 21 13.341 26.071 -15.009 1.00 41.48 N ATOM 185 HD22 ASN B 21 14.187 26.081 -15.614 1.00 0.00 H ATOM 186 HD21 ASN B 21 12.405 25.891 -15.426 1.00 0.00 H ATOM 187 H ASN B 21 14.217 28.994 -13.221 1.00 0.00 H ATOM 188 N VAL B 22 17.056 28.334 -11.574 1.00 26.12 N ATOM 189 CA VAL B 22 18.319 28.444 -10.868 1.00 23.76 C ATOM 190 C VAL B 22 18.071 28.915 -9.411 1.00 27.12 C ATOM 191 O VAL B 22 18.562 28.293 -8.442 1.00 27.43 O ATOM 192 CB VAL B 22 19.308 29.403 -11.615 1.00 24.55 C ATOM 193 CG1 VAL B 22 20.624 29.432 -10.903 1.00 24.43 C ATOM 194 CG2 VAL B 22 19.522 28.953 -13.079 1.00 25.18 C ATOM 195 H VAL B 22 16.824 29.002 -12.337 1.00 0.00 H ATOM 196 N SER B 23 17.308 29.989 -9.244 1.00 24.71 N ATOM 197 CA SER B 23 16.808 30.406 -7.929 1.00 28.82 C ATOM 198 C SER B 23 16.249 29.288 -7.041 1.00 28.55 C ATOM 199 O SER B 23 16.672 29.125 -5.885 1.00 26.42 O ATOM 200 CB SER B 23 15.724 31.449 -8.121 1.00 27.45 C ATOM 201 OG SER B 23 16.297 32.593 -8.695 1.00 53.09 O ATOM 202 HG SER B 23 16.696 32.357 -9.570 1.00 0.00 H ATOM 203 H SER B 23 17.055 30.557 -10.078 1.00 0.00 H ATOM 204 N LYS B 24 15.277 28.555 -7.579 1.00 25.44 N ATOM 205 CA LYS B 24 14.710 27.403 -6.916 1.00 25.47 C ATOM 206 C LYS B 24 15.780 26.372 -6.560 1.00 32.43 C ATOM 207 O LYS B 24 15.761 25.830 -5.453 1.00 32.81 O ATOM 208 CB LYS B 24 13.635 26.754 -7.798 1.00 29.19 C ATOM 209 CG LYS B 24 12.300 27.468 -7.803 1.00 32.91 C ATOM 210 CD LYS B 24 11.235 26.660 -8.557 1.00 42.70 C ATOM 211 CE LYS B 24 11.096 27.107 -10.025 1.00 48.17 C ATOM 212 NZ LYS B 24 9.700 26.880 -10.573 1.00 52.57 N ATOM 213 HZ1 LYS B 24 9.470 25.867 -10.523 1.00 0.00 H ATOM 214 HZ2 LYS B 24 9.015 27.420 -10.007 1.00 0.00 H ATOM 215 HZ3 LYS B 24 9.661 27.198 -11.563 1.00 0.00 H ATOM 216 H LYS B 24 14.911 28.822 -8.515 1.00 0.00 H ATOM 217 N SER B 25 16.704 26.094 -7.486 1.00 25.59 N ATOM 218 CA SER B 25 17.743 25.100 -7.242 1.00 20.92 C ATOM 219 C SER B 25 18.621 25.525 -6.052 1.00 23.03 C ATOM 220 O SER B 25 18.926 24.710 -5.184 1.00 24.53 O ATOM 221 CB SER B 25 18.613 24.889 -8.495 1.00 21.84 C ATOM 222 OG SER B 25 17.855 24.480 -9.626 1.00 24.46 O ATOM 223 HG SER B 25 17.180 25.173 -9.838 1.00 0.00 H ATOM 224 H SER B 25 16.681 26.596 -8.397 1.00 0.00 H ATOM 225 N MET B 26 19.014 26.783 -6.034 1.00 24.23 N ATOM 226 CA MET B 26 19.812 27.355 -4.975 1.00 23.48 C ATOM 227 C MET B 26 19.112 27.259 -3.638 1.00 18.43 C ATOM 228 O MET B 26 19.667 26.839 -2.698 1.00 25.47 O ATOM 229 CB MET B 26 20.126 28.803 -5.265 1.00 31.71 C ATOM 230 CG MET B 26 21.121 29.015 -6.358 1.00 44.31 C ATOM 231 SD MET B 26 21.240 30.724 -6.850 1.00 59.68 S ATOM 232 CE MET B 26 21.581 31.513 -5.302 1.00 40.99 C ATOM 233 H MET B 26 18.734 27.397 -6.825 1.00 0.00 H ATOM 234 N ALA B 27 17.872 27.658 -3.596 1.00 19.90 N ATOM 235 CA ALA B 27 17.056 27.585 -2.386 1.00 26.28 C ATOM 236 C ALA B 27 17.057 26.174 -1.825 1.00 25.92 C ATOM 237 O ALA B 27 17.191 25.985 -0.619 1.00 23.03 O ATOM 238 CB ALA B 27 15.631 28.045 -2.675 1.00 23.00 C ATOM 239 H ALA B 27 17.445 28.045 -4.461 1.00 0.00 H ATOM 240 N TYR B 28 16.925 25.197 -2.730 1.00 26.50 N ATOM 241 CA TYR B 28 16.843 23.782 -2.398 1.00 21.39 C ATOM 242 C TYR B 28 18.181 23.255 -1.876 1.00 23.37 C ATOM 243 O TYR B 28 18.225 22.512 -0.897 1.00 20.04 O ATOM 244 CB TYR B 28 16.393 22.973 -3.627 1.00 24.93 C ATOM 245 CG TYR B 28 16.534 21.488 -3.428 1.00 26.99 C ATOM 246 CD1 TYR B 28 15.528 20.749 -2.815 1.00 25.17 C ATOM 247 CD2 TYR B 28 17.690 20.823 -3.821 1.00 29.10 C ATOM 248 CE1 TYR B 28 15.666 19.390 -2.617 1.00 25.78 C ATOM 249 CE2 TYR B 28 17.833 19.458 -3.638 1.00 32.48 C ATOM 250 CZ TYR B 28 16.815 18.750 -3.031 1.00 31.98 C ATOM 251 OH TYR B 28 16.944 17.393 -2.825 1.00 35.46 O ATOM 252 HH TYR B 28 16.128 17.049 -2.382 1.00 0.00 H ATOM 253 H TYR B 28 16.878 25.466 -3.734 1.00 0.00 H ATOM 254 N LEU B 29 19.257 23.611 -2.570 1.00 18.27 N ATOM 255 CA LEU B 29 20.606 23.305 -2.136 1.00 18.86 C ATOM 256 C LEU B 29 20.847 23.871 -0.724 1.00 20.65 C ATOM 257 O LEU B 29 21.343 23.176 0.164 1.00 24.19 O ATOM 258 CB LEU B 29 21.607 23.864 -3.149 1.00 22.95 C ATOM 259 CG LEU B 29 21.640 23.130 -4.501 1.00 27.35 C ATOM 260 CD1 LEU B 29 22.693 23.689 -5.460 1.00 23.12 C ATOM 261 CD2 LEU B 29 21.888 21.656 -4.254 1.00 27.81 C ATOM 262 H LEU B 29 19.126 24.131 -3.461 1.00 0.00 H ATOM 263 N GLU B 30 20.443 25.109 -0.500 1.00 17.40 N ATOM 264 CA GLU B 30 20.596 25.698 0.814 1.00 24.13 C ATOM 265 C GLU B 30 19.832 24.912 1.900 1.00 27.48 C ATOM 266 O GLU B 30 20.400 24.563 2.949 1.00 21.29 O ATOM 267 CB GLU B 30 20.143 27.151 0.812 1.00 18.49 C ATOM 268 CG GLU B 30 20.474 27.783 2.116 1.00 26.55 C ATOM 269 CD GLU B 30 20.223 29.287 2.155 1.00 36.72 C ATOM 270 OE1 GLU B 30 19.443 29.832 1.328 1.00 37.48 O ATOM 271 OE2 GLU B 30 20.825 29.937 3.034 1.00 50.56 O ATOM 272 H GLU B 30 20.014 25.662 -1.269 1.00 0.00 H ATOM 273 N TYR B 31 18.555 24.631 1.647 1.00 24.19 N ATOM 274 CA TYR B 31 17.776 23.897 2.614 1.00 21.31 C ATOM 275 C TYR B 31 18.460 22.563 2.952 1.00 25.83 C ATOM 276 O TYR B 31 18.753 22.274 4.124 1.00 22.78 O ATOM 277 CB TYR B 31 16.370 23.645 2.109 1.00 22.70 C ATOM 278 CG TYR B 31 15.591 22.843 3.108 1.00 25.43 C ATOM 279 CD1 TYR B 31 14.937 23.470 4.144 1.00 26.96 C ATOM 280 CD2 TYR B 31 15.532 21.445 3.040 1.00 32.29 C ATOM 281 CE1 TYR B 31 14.230 22.760 5.075 1.00 32.37 C ATOM 282 CE2 TYR B 31 14.822 20.710 3.996 1.00 40.82 C ATOM 283 CZ TYR B 31 14.169 21.390 5.006 1.00 41.73 C ATOM 284 OH TYR B 31 13.441 20.719 5.968 1.00 48.61 O ATOM 285 HH TYR B 31 13.050 21.373 6.600 1.00 0.00 H ATOM 286 H TYR B 31 18.120 24.940 0.754 1.00 0.00 H ATOM 287 N THR B 32 18.693 21.777 1.910 1.00 20.89 N ATOM 288 CA THR B 32 19.345 20.480 1.983 1.00 32.14 C ATOM 289 C THR B 32 20.708 20.483 2.718 1.00 27.89 C ATOM 290 O THR B 32 20.898 19.720 3.651 1.00 23.74 O ATOM 291 CB THR B 32 19.524 19.920 0.550 1.00 31.61 C ATOM 292 OG1 THR B 32 18.230 19.775 -0.019 1.00 38.96 O ATOM 293 CG2 THR B 32 20.172 18.579 0.560 1.00 36.50 C ATOM 294 HG1 THR B 32 17.782 20.657 -0.046 1.00 0.00 H ATOM 295 H THR B 32 18.388 22.112 0.974 1.00 0.00 H ATOM 296 N LEU B 33 21.639 21.341 2.301 1.00 22.02 N ATOM 297 CA LEU B 33 22.945 21.364 2.919 1.00 23.58 C ATOM 298 C LEU B 33 22.877 21.793 4.368 1.00 23.19 C ATOM 299 O LEU B 33 23.526 21.178 5.214 1.00 25.23 O ATOM 300 CB LEU B 33 23.905 22.264 2.125 1.00 27.06 C ATOM 301 CG LEU B 33 24.184 21.701 0.721 1.00 24.78 C ATOM 302 CD1 LEU B 33 24.998 22.681 -0.092 1.00 25.35 C ATOM 303 CD2 LEU B 33 24.882 20.363 0.847 1.00 27.80 C ATOM 304 H LEU B 33 21.424 21.999 1.525 1.00 0.00 H ATOM 305 N LEU B 34 22.078 22.818 4.673 1.00 23.23 N ATOM 306 CA LEU B 34 21.907 23.244 6.064 1.00 29.64 C ATOM 307 C LEU B 34 21.234 22.187 6.902 1.00 36.46 C ATOM 308 O LEU B 34 21.334 22.216 8.133 1.00 34.91 O ATOM 309 CB LEU B 34 21.076 24.510 6.182 1.00 26.51 C ATOM 310 CG LEU B 34 21.697 25.806 5.726 1.00 27.09 C ATOM 311 CD1 LEU B 34 20.616 26.879 5.768 1.00 22.14 C ATOM 312 CD2 LEU B 34 22.925 26.115 6.593 1.00 25.42 C ATOM 313 H LEU B 34 21.572 23.319 3.915 1.00 0.00 H ATOM 314 N ASN B 35 20.526 21.275 6.245 1.00 29.73 N ATOM 315 CA ASN B 35 19.790 20.261 6.983 1.00 33.97 C ATOM 316 C ASN B 35 20.552 18.947 7.181 1.00 30.91 C ATOM 317 O ASN B 35 20.017 17.998 7.726 1.00 36.54 O ATOM 318 CB ASN B 35 18.464 19.991 6.288 1.00 39.40 C ATOM 319 CG ASN B 35 17.480 19.286 7.176 1.00 47.09 C ATOM 320 OD1 ASN B 35 17.059 19.809 8.237 1.00 45.55 O ATOM 321 ND2 ASN B 35 17.088 18.083 6.756 1.00 49.18 N ATOM 322 HD22 ASN B 35 17.466 17.693 5.869 1.00 0.00 H ATOM 323 HD21 ASN B 35 16.404 17.534 7.315 1.00 0.00 H ATOM 324 H ASN B 35 20.498 21.286 5.205 1.00 0.00 H ATOM 325 N LYS B 36 21.799 18.900 6.809 1.00 32.83 N ATOM 326 CA LYS B 36 22.561 17.712 6.987 1.00 35.09 C ATOM 327 C LYS B 36 22.821 17.455 8.445 1.00 39.84 C ATOM 328 O LYS B 36 23.062 18.364 9.178 1.00 40.85 O ATOM 329 CB LYS B 36 23.911 17.886 6.326 1.00 33.46 C ATOM 330 CG LYS B 36 23.913 17.727 4.849 1.00 36.27 C ATOM 331 CD LYS B 36 25.273 18.003 4.272 1.00 37.72 C ATOM 332 CE LYS B 36 26.256 16.902 4.545 1.00 38.92 C ATOM 333 NZ LYS B 36 25.968 15.735 3.728 1.00 37.90 N ATOM 334 HZ1 LYS B 36 25.011 15.390 3.943 1.00 0.00 H ATOM 335 HZ2 LYS B 36 26.026 15.994 2.723 1.00 0.00 H ATOM 336 HZ3 LYS B 36 26.662 14.988 3.936 1.00 0.00 H ATOM 337 H LYS B 36 22.241 19.737 6.379 1.00 0.00 H ATOM 338 N SER B 37 22.875 16.217 8.853 1.00 42.45 N ATOM 339 CA SER B 37 23.215 15.932 10.218 1.00 43.39 C ATOM 340 C SER B 37 24.650 16.300 10.485 1.00 41.99 C ATOM 341 O SER B 37 25.446 16.398 9.585 1.00 36.94 O ATOM 342 CB SER B 37 23.053 14.458 10.478 1.00 43.34 C ATOM 343 OG SER B 37 23.606 13.710 9.442 1.00 38.05 O ATOM 344 HG SER B 37 23.488 12.746 9.633 1.00 0.00 H ATOM 345 H SER B 37 22.673 15.440 8.192 1.00 0.00 H ATOM 346 N LYS B 38 24.965 16.510 11.749 1.00 38.95 N ATOM 347 CA LYS B 38 26.339 16.800 12.158 1.00 47.27 C ATOM 348 C LYS B 38 27.336 15.673 11.822 1.00 49.54 C ATOM 349 O LYS B 38 28.472 15.953 11.417 1.00 45.17 O ATOM 350 CB LYS B 38 26.390 17.079 13.667 1.00 53.29 C ATOM 351 CG LYS B 38 25.642 18.331 14.106 1.00 61.02 C ATOM 352 CD LYS B 38 25.622 18.428 15.631 1.00 68.74 C ATOM 353 CE LYS B 38 24.802 19.623 16.135 1.00 70.29 C ATOM 354 NZ LYS B 38 24.775 19.656 17.635 1.00 78.11 N ATOM 355 HZ1 LYS B 38 24.345 18.779 17.992 1.00 0.00 H ATOM 356 HZ2 LYS B 38 25.747 19.739 17.996 1.00 0.00 H ATOM 357 HZ3 LYS B 38 24.215 20.473 17.953 1.00 0.00 H ATOM 358 H LYS B 38 24.218 16.468 12.472 1.00 0.00 H ATOM 359 N LYS B 39 26.925 14.417 12.013 1.00 42.91 N ATOM 360 CA LYS B 39 27.779 13.280 11.684 1.00 50.95 C ATOM 361 C LYS B 39 28.116 13.343 10.204 1.00 54.90 C ATOM 362 O LYS B 39 29.250 13.109 9.775 1.00 62.61 O ATOM 363 CB LYS B 39 27.094 11.944 12.019 1.00 51.47 C ATOM 364 CG LYS B 39 26.893 11.713 13.519 1.00 70.07 C ATOM 365 CD LYS B 39 26.769 10.225 13.897 1.00 72.54 C ATOM 366 CE LYS B 39 26.494 10.059 15.383 1.00 68.22 C ATOM 367 NZ LYS B 39 26.516 8.621 15.761 1.00 77.14 N ATOM 368 HZ1 LYS B 39 25.786 8.111 15.223 1.00 0.00 H ATOM 369 HZ2 LYS B 39 27.451 8.221 15.544 1.00 0.00 H ATOM 370 HZ3 LYS B 39 26.326 8.529 16.779 1.00 0.00 H ATOM 371 H LYS B 39 25.977 14.245 12.404 1.00 0.00 H ATOM 372 N SER B 40 27.093 13.641 9.433 1.00 46.58 N ATOM 373 CA SER B 40 27.141 13.710 8.003 1.00 46.69 C ATOM 374 C SER B 40 28.002 14.791 7.448 1.00 40.70 C ATOM 375 O SER B 40 28.589 14.615 6.426 1.00 37.60 O ATOM 376 CB SER B 40 25.743 13.933 7.494 1.00 49.57 C ATOM 377 OG SER B 40 25.511 13.167 6.382 1.00 56.89 O ATOM 378 HG SER B 40 26.156 13.413 5.672 1.00 0.00 H ATOM 379 H SER B 40 26.183 13.841 9.895 1.00 0.00 H ATOM 380 N ARG B 41 28.084 15.908 8.124 1.00 40.49 N ATOM 381 CA ARG B 41 28.873 16.989 7.643 1.00 42.75 C ATOM 382 C ARG B 41 30.310 16.663 7.756 1.00 45.55 C ATOM 383 O ARG B 41 31.120 17.178 7.035 1.00 45.55 O ATOM 384 CB ARG B 41 28.663 18.238 8.484 1.00 40.47 C ATOM 385 CG ARG B 41 27.260 18.742 8.653 1.00 43.06 C ATOM 386 CD ARG B 41 27.269 20.012 9.476 1.00 41.76 C ATOM 387 NE ARG B 41 25.968 20.616 9.442 1.00 57.43 N ATOM 388 CZ ARG B 41 25.417 21.174 8.373 1.00 74.71 C ATOM 389 NH1 ARG B 41 24.199 21.666 8.464 1.00 74.29 N ATOM 390 NH2 ARG B 41 26.068 21.261 7.227 1.00 80.48 N ATOM 391 HE ARG B 41 25.415 20.616 10.323 1.00 0.00 H ATOM 392 HH12 ARG B 41 23.753 22.107 7.634 1.00 0.00 H ATOM 393 HH11 ARG B 41 23.683 21.614 9.365 1.00 0.00 H ATOM 394 HH22 ARG B 41 25.613 21.703 6.403 1.00 0.00 H ATOM 395 HH21 ARG B 41 27.035 20.887 7.149 1.00 0.00 H ATOM 396 H ARG B 41 27.568 16.006 9.021 1.00 0.00 H ATOM 397 N LYS B 42 30.617 15.817 8.711 1.00 44.62 N ATOM 398 CA LYS B 42 31.997 15.450 9.010 1.00 42.42 C ATOM 399 C LYS B 42 32.500 14.297 8.150 1.00 45.49 C ATOM 400 O LYS B 42 33.703 14.019 8.141 1.00 46.12 O ATOM 401 CB LYS B 42 32.135 15.108 10.497 1.00 43.13 C ATOM 402 CG LYS B 42 32.174 16.361 11.363 1.00 46.16 C ATOM 403 CD LYS B 42 31.671 16.153 12.800 1.00 48.26 C ATOM 404 CE LYS B 42 31.293 17.531 13.435 1.00 76.01 C ATOM 405 NZ LYS B 42 30.350 18.407 12.607 1.00 69.55 N ATOM 406 HZ1 LYS B 42 30.792 18.619 11.690 1.00 0.00 H ATOM 407 HZ2 LYS B 42 29.455 17.901 12.453 1.00 0.00 H ATOM 408 HZ3 LYS B 42 30.165 19.294 13.118 1.00 0.00 H ATOM 409 H LYS B 42 29.851 15.394 9.273 1.00 0.00 H ATOM 410 N THR B 43 31.598 13.627 7.431 1.00 40.50 N ATOM 411 CA THR B 43 32.013 12.559 6.522 1.00 49.70 C ATOM 412 C THR B 43 31.815 12.859 5.021 1.00 48.55 C ATOM 413 O THR B 43 32.443 12.220 4.184 1.00 46.82 O ATOM 414 CB THR B 43 31.271 11.238 6.828 1.00 50.38 C ATOM 415 OG1 THR B 43 29.897 11.365 6.451 1.00 49.07 O ATOM 416 CG2 THR B 43 31.355 10.888 8.303 1.00 47.99 C ATOM 417 HG1 THR B 43 29.839 11.560 5.482 1.00 0.00 H ATOM 418 H THR B 43 30.590 13.866 7.518 1.00 0.00 H ATOM 419 N ASP B 44 30.915 13.755 4.649 1.00 47.13 N ATOM 420 CA ASP B 44 30.620 13.992 3.239 1.00 41.64 C ATOM 421 C ASP B 44 31.326 15.088 2.481 1.00 40.76 C ATOM 422 O ASP B 44 31.989 15.912 3.030 1.00 34.14 O ATOM 423 CB ASP B 44 29.126 14.153 3.034 1.00 36.13 C ATOM 424 CG ASP B 44 28.336 13.023 3.578 1.00 44.83 C ATOM 425 OD1 ASP B 44 28.890 11.978 3.827 1.00 40.69 O ATOM 426 OD2 ASP B 44 27.139 13.165 3.753 1.00 38.58 O ATOM 427 H ASP B 44 30.408 14.301 5.375 1.00 0.00 H ATOM 428 N TRP B 45 31.159 15.052 1.176 1.00 41.26 N ATOM 429 CA TRP B 45 31.747 16.064 0.302 1.00 36.58 C ATOM 430 C TRP B 45 30.717 16.751 -0.579 1.00 33.39 C ATOM 431 O TRP B 45 29.714 16.136 -0.988 1.00 30.41 O ATOM 432 CB TRP B 45 32.803 15.435 -0.606 1.00 31.47 C ATOM 433 CG TRP B 45 34.006 14.939 0.098 1.00 42.86 C ATOM 434 CD1 TRP B 45 34.102 13.830 0.916 1.00 37.51 C ATOM 435 CD2 TRP B 45 35.327 15.497 0.031 1.00 43.76 C ATOM 436 NE1 TRP B 45 35.389 13.686 1.353 1.00 40.38 N ATOM 437 CE2 TRP B 45 36.164 14.686 0.824 1.00 39.40 C ATOM 438 CE3 TRP B 45 35.878 16.603 -0.629 1.00 34.46 C ATOM 439 CZ2 TRP B 45 37.521 14.952 0.989 1.00 41.82 C ATOM 440 CZ3 TRP B 45 37.233 16.858 -0.471 1.00 39.69 C ATOM 441 CH2 TRP B 45 38.035 16.038 0.340 1.00 45.12 C ATOM 442 HE1 TRP B 45 35.728 12.935 1.988 1.00 0.00 H ATOM 443 H TRP B 45 30.595 14.285 0.757 1.00 0.00 H ATOM 444 N ILE B 46 30.980 18.008 -0.930 1.00 34.81 N ATOM 445 CA ILE B 46 30.193 18.623 -1.997 1.00 25.29 C ATOM 446 C ILE B 46 31.053 19.356 -3.016 1.00 30.37 C ATOM 447 O ILE B 46 32.190 19.736 -2.743 1.00 23.52 O ATOM 448 CB ILE B 46 29.122 19.610 -1.452 1.00 30.37 C ATOM 449 CG1 ILE B 46 29.757 20.784 -0.721 1.00 24.89 C ATOM 450 CG2 ILE B 46 28.068 18.874 -0.615 1.00 21.20 C ATOM 451 CD1 ILE B 46 28.796 21.948 -0.532 1.00 26.51 C ATOM 452 H ILE B 46 31.733 18.544 -0.453 1.00 0.00 H ATOM 453 N SER B 47 30.481 19.542 -4.203 1.00 32.88 N ATOM 454 CA SER B 47 31.086 20.348 -5.249 1.00 24.82 C ATOM 455 C SER B 47 29.996 20.825 -6.187 1.00 23.62 C ATOM 456 O SER B 47 28.915 20.242 -6.226 1.00 26.73 O ATOM 457 CB SER B 47 32.158 19.548 -5.995 1.00 25.59 C ATOM 458 OG SER B 47 31.605 18.443 -6.675 1.00 34.53 O ATOM 459 HG SER B 47 31.164 17.842 -6.023 1.00 0.00 H ATOM 460 H SER B 47 29.562 19.091 -4.390 1.00 0.00 H ATOM 461 N CYS B 48 30.256 21.883 -6.942 1.00 22.49 N ATOM 462 CA CYS B 48 29.227 22.395 -7.821 1.00 19.69 C ATOM 463 C CYS B 48 29.810 22.862 -9.149 1.00 25.80 C ATOM 464 O CYS B 48 30.828 23.566 -9.177 1.00 25.99 O ATOM 465 CB CYS B 48 28.455 23.548 -7.150 1.00 19.95 C ATOM 466 SG CYS B 48 26.944 24.043 -8.083 1.00 17.36 S ATOM 467 H CYS B 48 31.189 22.340 -6.903 1.00 0.00 H ATOM 468 N TYR B 49 29.154 22.477 -10.244 1.00 25.29 N ATOM 469 CA TYR B 49 29.534 22.919 -11.584 1.00 21.84 C ATOM 470 C TYR B 49 28.331 23.567 -12.284 1.00 26.66 C ATOM 471 O TYR B 49 27.188 23.116 -12.131 1.00 21.20 O ATOM 472 CB TYR B 49 30.048 21.745 -12.434 1.00 29.84 C ATOM 473 CG TYR B 49 31.329 21.084 -11.955 1.00 38.82 C ATOM 474 CD1 TYR B 49 31.350 20.313 -10.794 1.00 35.68 C ATOM 475 CD2 TYR B 49 32.517 21.189 -12.696 1.00 42.28 C ATOM 476 CE1 TYR B 49 32.499 19.695 -10.368 1.00 36.34 C ATOM 477 CE2 TYR B 49 33.678 20.573 -12.276 1.00 39.22 C ATOM 478 CZ TYR B 49 33.664 19.827 -11.105 1.00 39.00 C ATOM 479 OH TYR B 49 34.821 19.218 -10.664 1.00 38.31 O ATOM 480 HH TYR B 49 35.514 19.906 -10.503 1.00 0.00 H ATOM 481 H TYR B 49 28.340 21.837 -10.140 1.00 0.00 H ATOM 482 N LEU B 50 28.596 24.616 -13.060 1.00 25.95 N ATOM 483 CA LEU B 50 27.563 25.244 -13.861 1.00 27.08 C ATOM 484 C LEU B 50 27.740 24.814 -15.323 1.00 33.85 C ATOM 485 O LEU B 50 28.848 24.895 -15.872 1.00 31.99 O ATOM 486 CB LEU B 50 27.617 26.770 -13.715 1.00 22.25 C ATOM 487 CG LEU B 50 27.607 27.347 -12.290 1.00 24.85 C ATOM 488 CD1 LEU B 50 27.550 28.866 -12.320 1.00 23.52 C ATOM 489 CD2 LEU B 50 26.490 26.748 -11.381 1.00 19.44 C ATOM 490 H LEU B 50 29.565 24.993 -13.092 1.00 0.00 H ATOM 491 N ALA B 51 26.668 24.322 -15.940 1.00 28.22 N ATOM 492 CA ALA B 51 26.717 23.942 -17.357 1.00 31.85 C ATOM 493 C ALA B 51 26.022 25.006 -18.195 1.00 35.25 C ATOM 494 O ALA B 51 25.223 25.778 -17.667 1.00 28.16 O ATOM 495 CB ALA B 51 26.069 22.583 -17.581 1.00 29.42 C ATOM 496 H ALA B 51 25.781 24.205 -15.409 1.00 0.00 H ATOM 497 N ASN B 52 26.315 25.038 -19.494 1.00 34.78 N ATOM 498 CA ASN B 52 25.750 26.033 -20.402 1.00 36.12 C ATOM 499 C ASN B 52 26.077 27.425 -19.884 1.00 39.65 C ATOM 500 O ASN B 52 25.211 28.311 -19.813 1.00 37.88 O ATOM 501 CB ASN B 52 24.236 25.853 -20.561 1.00 34.13 C ATOM 502 CG ASN B 52 23.870 24.483 -21.090 1.00 37.01 C ATOM 503 OD1 ASN B 52 24.659 23.851 -21.794 1.00 42.29 O ATOM 504 ND2 ASN B 52 22.682 24.008 -20.746 1.00 35.94 N ATOM 505 HD22 ASN B 52 22.047 24.577 -20.150 1.00 0.00 H ATOM 506 HD21 ASN B 52 22.384 23.067 -21.072 1.00 0.00 H ATOM 507 H ASN B 52 26.971 24.327 -19.876 1.00 0.00 H ATOM 508 N CYS B 53 27.345 27.608 -19.534 1.00 39.26 N ATOM 509 CA CYS B 53 27.760 28.762 -18.759 1.00 30.56 C ATOM 510 C CYS B 53 28.737 29.641 -19.540 1.00 32.74 C ATOM 511 O CYS B 53 29.616 29.113 -20.211 1.00 37.00 O ATOM 512 CB CYS B 53 28.388 28.272 -17.446 1.00 28.25 C ATOM 513 SG CYS B 53 28.855 29.575 -16.336 1.00 28.94 S ATOM 514 H CYS B 53 28.057 26.907 -19.822 1.00 0.00 H ATOM 515 N PRO B 54 28.602 30.983 -19.453 1.00 37.26 N ATOM 516 CA PRO B 54 29.514 31.849 -20.221 1.00 42.07 C ATOM 517 C PRO B 54 30.907 31.876 -19.622 1.00 44.70 C ATOM 518 O PRO B 54 31.854 32.297 -20.283 1.00 41.82 O ATOM 519 CB PRO B 54 28.870 33.239 -20.127 1.00 39.89 C ATOM 520 CG PRO B 54 27.524 33.018 -19.465 1.00 47.25 C ATOM 521 CD PRO B 54 27.637 31.772 -18.674 1.00 39.11 C ATOM 522 N VAL B 55 31.015 31.443 -18.368 1.00 39.18 N ATOM 523 CA VAL B 55 32.283 31.406 -17.664 1.00 36.02 C ATOM 524 C VAL B 55 32.930 30.061 -17.914 1.00 36.33 C ATOM 525 O VAL B 55 32.325 29.018 -17.653 1.00 36.64 O ATOM 526 CB VAL B 55 32.097 31.642 -16.140 1.00 35.10 C ATOM 527 CG1 VAL B 55 33.386 31.393 -15.373 1.00 34.27 C ATOM 528 CG2 VAL B 55 31.584 33.043 -15.878 1.00 33.33 C ATOM 529 H VAL B 55 30.159 31.119 -17.875 1.00 0.00 H ATOM 530 N SER B 56 34.140 30.079 -18.466 1.00 42.53 N ATOM 531 CA SER B 56 34.908 28.856 -18.629 1.00 41.41 C ATOM 532 C SER B 56 36.119 28.719 -17.695 1.00 39.06 C ATOM 533 O SER B 56 37.175 29.279 -17.959 1.00 52.14 O ATOM 534 CB SER B 56 35.449 28.740 -20.053 1.00 44.86 C ATOM 535 OG SER B 56 34.376 28.609 -20.967 1.00 51.32 O ATOM 536 HG SER B 56 33.791 29.405 -20.903 1.00 0.00 H ATOM 537 H SER B 56 34.543 30.983 -18.786 1.00 0.00 H ATOM 538 N GLU B 57 35.936 28.000 -16.591 1.00 39.42 N ATOM 539 CA GLU B 57 37.001 27.719 -15.642 1.00 36.87 C ATOM 540 C GLU B 57 36.838 26.362 -15.000 1.00 37.30 C ATOM 541 O GLU B 57 35.902 26.132 -14.237 1.00 40.01 O ATOM 542 CB GLU B 57 36.950 28.792 -14.566 1.00 36.11 C ATOM 543 CG GLU B 57 38.113 28.682 -13.565 1.00 45.25 C ATOM 544 CD GLU B 57 37.944 29.598 -12.361 1.00 51.91 C ATOM 545 OE1 GLU B 57 38.375 30.764 -12.430 1.00 56.56 O ATOM 546 OE2 GLU B 57 37.379 29.155 -11.340 1.00 52.08 O ATOM 547 H GLU B 57 34.987 27.621 -16.398 1.00 0.00 H ATOM 548 N ASN B 58 37.750 25.454 -15.310 1.00 36.38 N ATOM 549 CA ASN B 58 37.692 24.099 -14.785 1.00 35.36 C ATOM 550 C ASN B 58 39.032 23.431 -14.996 1.00 46.50 C ATOM 551 O ASN B 58 39.916 23.984 -15.670 1.00 41.26 O ATOM 552 CB ASN B 58 36.587 23.308 -15.463 1.00 34.63 C ATOM 553 CG ASN B 58 36.716 23.339 -16.966 1.00 42.89 C ATOM 554 OD1 ASN B 58 37.588 22.680 -17.528 1.00 45.52 O ATOM 555 ND2 ASN B 58 35.874 24.134 -17.629 1.00 39.37 N ATOM 556 HD22 ASN B 58 35.151 24.673 -17.111 1.00 0.00 H ATOM 557 HD21 ASN B 58 35.941 24.214 -18.664 1.00 0.00 H ATOM 558 H ASN B 58 38.529 25.717 -15.946 1.00 0.00 H ATOM 559 N SER B 59 39.174 22.233 -14.444 1.00 46.13 N ATOM 560 CA SER B 59 40.456 21.562 -14.450 1.00 46.50 C ATOM 561 C SER B 59 40.928 21.307 -15.883 1.00 56.49 C ATOM 562 O SER B 59 42.105 21.511 -16.183 1.00 63.19 O ATOM 563 CB SER B 59 40.383 20.263 -13.651 1.00 43.13 C ATOM 564 OG SER B 59 39.480 19.346 -14.235 1.00 47.14 O ATOM 565 HG SER B 59 39.457 18.517 -13.694 1.00 0.00 H ATOM 566 H SER B 59 38.354 21.771 -14.002 1.00 0.00 H ATOM 567 N GLN B 60 40.016 20.911 -16.768 1.00 51.91 N ATOM 568 CA GLN B 60 40.375 20.561 -18.148 1.00 52.73 C ATOM 569 C GLN B 60 40.380 21.742 -19.122 1.00 55.26 C ATOM 570 O GLN B 60 40.569 21.550 -20.328 1.00 52.98 O ATOM 571 CB GLN B 60 39.417 19.501 -18.698 1.00 52.65 C ATOM 572 CG GLN B 60 39.111 18.373 -17.755 1.00 55.17 C ATOM 573 CD GLN B 60 40.344 17.571 -17.422 1.00 61.67 C ATOM 574 OE1 GLN B 60 41.153 17.261 -18.307 1.00 66.72 O ATOM 575 NE2 GLN B 60 40.511 17.237 -16.144 1.00 56.99 N ATOM 576 HE22 GLN B 60 39.804 17.520 -15.436 1.00 0.00 H ATOM 577 HE21 GLN B 60 41.349 16.693 -15.854 1.00 0.00 H ATOM 578 H GLN B 60 39.021 20.848 -16.474 1.00 0.00 H ATOM 579 N GLU B 61 40.153 22.947 -18.608 1.00 60.45 N ATOM 580 CA GLU B 61 40.050 24.162 -19.427 1.00 62.22 C ATOM 581 C GLU B 61 39.145 24.017 -20.661 1.00 59.07 C ATOM 582 O GLU B 61 39.419 24.542 -21.733 1.00 57.13 O ATOM 583 CB GLU B 61 41.440 24.625 -19.826 1.00 67.45 C ATOM 584 CG GLU B 61 42.274 25.083 -18.625 1.00 71.01 C ATOM 585 CD GLU B 61 43.738 25.286 -18.981 1.00 86.43 C ATOM 586 OE1 GLU B 61 44.066 26.295 -19.666 1.00 83.53 O ATOM 587 OE2 GLU B 61 44.557 24.416 -18.590 1.00 97.72 O ATOM 588 H GLU B 61 40.043 23.033 -17.577 1.00 0.00 H ATOM 589 N ILE B 62 38.050 23.298 -20.457 1.00 56.74 N ATOM 590 CA ILE B 62 36.930 23.179 -21.386 1.00 53.02 C ATOM 591 C ILE B 62 36.104 24.477 -21.487 1.00 52.28 C ATOM 592 O ILE B 62 35.832 25.136 -20.478 1.00 42.41 O ATOM 593 CB ILE B 62 36.003 21.993 -20.924 1.00 54.33 C ATOM 594 CG1 ILE B 62 36.739 20.647 -21.023 1.00 58.53 C ATOM 595 CG2 ILE B 62 34.687 21.949 -21.661 1.00 46.85 C ATOM 596 CD1 ILE B 62 37.406 20.369 -22.371 1.00 55.74 C ATOM 597 H ILE B 62 37.983 22.775 -19.560 1.00 0.00 H ATOM 598 N PRO B 63 35.692 24.849 -22.706 1.00 45.49 N ATOM 599 CA PRO B 63 34.753 25.974 -22.806 1.00 44.05 C ATOM 600 C PRO B 63 33.431 25.750 -22.047 1.00 42.50 C ATOM 601 O PRO B 63 32.902 24.643 -22.012 1.00 40.52 O ATOM 602 CB PRO B 63 34.494 26.084 -24.315 1.00 47.29 C ATOM 603 CG PRO B 63 35.678 25.433 -24.962 1.00 50.69 C ATOM 604 CD PRO B 63 36.117 24.346 -24.026 1.00 49.48 C ATOM 605 N ASN B 64 32.928 26.809 -21.424 1.00 38.75 N ATOM 606 CA ASN B 64 31.550 26.865 -20.951 1.00 36.48 C ATOM 607 C ASN B 64 31.163 25.903 -19.817 1.00 40.20 C ATOM 608 O ASN B 64 29.991 25.576 -19.627 1.00 37.31 O ATOM 609 CB ASN B 64 30.622 26.680 -22.151 1.00 38.42 C ATOM 610 CG ASN B 64 30.779 27.805 -23.157 1.00 40.91 C ATOM 611 OD1 ASN B 64 31.118 27.576 -24.317 1.00 45.76 O ATOM 612 ND2 ASN B 64 30.582 29.043 -22.699 1.00 40.05 N ATOM 613 HD22 ASN B 64 30.296 29.192 -21.710 1.00 0.00 H ATOM 614 HD21 ASN B 64 30.715 29.858 -23.331 1.00 0.00 H ATOM 615 H ASN B 64 33.543 27.633 -21.267 1.00 0.00 H ATOM 616 N VAL B 65 32.155 25.483 -19.050 1.00 39.34 N ATOM 617 CA VAL B 65 31.921 24.728 -17.843 1.00 31.71 C ATOM 618 C VAL B 65 32.620 25.469 -16.729 1.00 33.37 C ATOM 619 O VAL B 65 33.790 25.819 -16.873 1.00 31.47 O ATOM 620 CB VAL B 65 32.441 23.302 -17.958 1.00 32.72 C ATOM 621 CG1 VAL B 65 32.433 22.612 -16.581 1.00 30.91 C ATOM 622 CG2 VAL B 65 31.611 22.561 -18.985 1.00 34.33 C ATOM 623 H VAL B 65 33.133 25.704 -19.325 1.00 0.00 H ATOM 624 N PHE B 66 31.900 25.717 -15.636 1.00 27.54 N ATOM 625 CA PHE B 66 32.396 26.521 -14.536 1.00 26.51 C ATOM 626 C PHE B 66 32.340 25.759 -13.210 1.00 32.45 C ATOM 627 O PHE B 66 31.263 25.605 -12.618 1.00 31.86 O ATOM 628 CB PHE B 66 31.583 27.808 -14.438 1.00 25.75 C ATOM 629 CG PHE B 66 32.049 28.751 -13.355 1.00 28.90 C ATOM 630 CD1 PHE B 66 33.344 28.683 -12.847 1.00 32.33 C ATOM 631 CD2 PHE B 66 31.193 29.719 -12.850 1.00 25.61 C ATOM 632 CE1 PHE B 66 33.769 29.568 -11.848 1.00 31.84 C ATOM 633 CE2 PHE B 66 31.607 30.595 -11.857 1.00 26.75 C ATOM 634 CZ PHE B 66 32.895 30.526 -11.358 1.00 25.44 C ATOM 635 H PHE B 66 30.942 25.317 -15.569 1.00 0.00 H ATOM 636 N GLN B 67 33.483 25.294 -12.725 1.00 31.09 N ATOM 637 CA GLN B 67 33.527 24.705 -11.391 1.00 29.88 C ATOM 638 C GLN B 67 33.499 25.830 -10.383 1.00 25.21 C ATOM 639 O GLN B 67 34.544 26.340 -9.975 1.00 34.03 O ATOM 640 CB GLN B 67 34.765 23.838 -11.183 1.00 30.36 C ATOM 641 CG GLN B 67 34.752 23.107 -9.858 1.00 36.06 C ATOM 642 CD GLN B 67 36.023 22.320 -9.617 1.00 43.22 C ATOM 643 OE1 GLN B 67 35.996 21.091 -9.531 1.00 48.76 O ATOM 644 NE2 GLN B 67 37.150 23.024 -9.510 1.00 48.27 N ATOM 645 HE22 GLN B 67 37.125 24.061 -9.589 1.00 0.00 H ATOM 646 HE21 GLN B 67 38.054 22.537 -9.347 1.00 0.00 H ATOM 647 H GLN B 67 34.350 25.349 -13.297 1.00 0.00 H ATOM 648 N ILE B 68 32.293 26.230 -10.006 1.00 21.97 N ATOM 649 CA ILE B 68 32.093 27.359 -9.109 1.00 26.88 C ATOM 650 C ILE B 68 32.355 26.934 -7.659 1.00 27.41 C ATOM 651 O ILE B 68 32.570 27.775 -6.800 1.00 23.67 O ATOM 652 CB ILE B 68 30.651 27.955 -9.260 1.00 25.29 C ATOM 653 CG1 ILE B 68 30.477 29.220 -8.397 1.00 22.09 C ATOM 654 CG2 ILE B 68 29.594 26.899 -8.956 1.00 20.39 C ATOM 655 CD1 ILE B 68 29.303 30.108 -8.777 1.00 20.11 C ATOM 656 H ILE B 68 31.460 25.719 -10.363 1.00 0.00 H ATOM 657 N GLN B 69 32.364 25.625 -7.391 1.00 24.38 N ATOM 658 CA GLN B 69 32.711 25.133 -6.071 1.00 20.80 C ATOM 659 C GLN B 69 33.579 23.878 -6.129 1.00 26.68 C ATOM 660 O GLN B 69 33.130 22.802 -6.576 1.00 26.58 O ATOM 661 CB GLN B 69 31.458 24.842 -5.253 1.00 19.26 C ATOM 662 CG GLN B 69 31.753 24.264 -3.885 1.00 19.68 C ATOM 663 CD GLN B 69 32.625 25.173 -3.027 1.00 25.55 C ATOM 664 OE1 GLN B 69 32.200 26.252 -2.588 1.00 24.10 O ATOM 665 NE2 GLN B 69 33.846 24.740 -2.775 1.00 22.53 N ATOM 666 HE22 GLN B 69 34.165 23.829 -3.162 1.00 0.00 H ATOM 667 HE21 GLN B 69 34.489 25.310 -2.189 1.00 0.00 H ATOM 668 H GLN B 69 32.118 24.948 -8.141 1.00 0.00 H ATOM 669 N SER B 70 34.817 24.010 -5.672 1.00 31.84 N ATOM 670 CA SER B 70 35.718 22.884 -5.645 1.00 39.72 C ATOM 671 C SER B 70 35.258 21.916 -4.568 1.00 34.52 C ATOM 672 O SER B 70 34.477 22.294 -3.708 1.00 28.16 O ATOM 673 CB SER B 70 37.166 23.339 -5.392 1.00 46.48 C ATOM 674 OG SER B 70 37.318 23.943 -4.100 1.00 55.41 O ATOM 675 HG SER B 70 36.728 24.735 -4.036 1.00 0.00 H ATOM 676 H SER B 70 35.142 24.936 -5.329 1.00 0.00 H ATOM 677 N PHE B 71 35.747 20.673 -4.640 1.00 36.12 N ATOM 678 CA PHE B 71 35.394 19.620 -3.706 1.00 35.64 C ATOM 679 C PHE B 71 35.635 20.110 -2.298 1.00 35.62 C ATOM 680 O PHE B 71 36.691 20.646 -1.993 1.00 35.57 O ATOM 681 CB PHE B 71 36.196 18.348 -3.996 1.00 31.51 C ATOM 682 CG PHE B 71 35.756 17.645 -5.230 1.00 33.97 C ATOM 683 CD1 PHE B 71 34.678 16.767 -5.194 1.00 32.72 C ATOM 684 CD2 PHE B 71 36.383 17.896 -6.442 1.00 35.13 C ATOM 685 CE1 PHE B 71 34.237 16.144 -6.346 1.00 38.75 C ATOM 686 CE2 PHE B 71 35.962 17.270 -7.582 1.00 41.54 C ATOM 687 CZ PHE B 71 34.882 16.388 -7.539 1.00 41.92 C ATOM 688 H PHE B 71 36.415 20.450 -5.405 1.00 0.00 H ATOM 689 N LEU B 72 34.629 19.951 -1.454 1.00 35.69 N ATOM 690 CA LEU B 72 34.587 20.654 -0.192 1.00 32.49 C ATOM 691 C LEU B 72 34.204 19.674 0.889 1.00 32.06 C ATOM 692 O LEU B 72 33.233 18.934 0.731 1.00 35.13 O ATOM 693 CB LEU B 72 33.597 21.812 -0.271 1.00 25.68 C ATOM 694 CG LEU B 72 33.321 22.667 0.972 1.00 28.88 C ATOM 695 CD1 LEU B 72 34.564 23.356 1.432 1.00 26.22 C ATOM 696 CD2 LEU B 72 32.290 23.703 0.592 1.00 28.79 C ATOM 697 H LEU B 72 33.852 19.307 -1.704 1.00 0.00 H ATOM 698 N ALA B 73 35.001 19.662 1.958 1.00 33.72 N ATOM 699 CA ALA B 73 34.797 18.846 3.152 1.00 38.78 C ATOM 700 C ALA B 73 35.724 19.385 4.238 1.00 39.18 C ATOM 701 O ALA B 73 36.898 19.659 3.971 1.00 43.61 O ATOM 702 CB ALA B 73 35.079 17.369 2.880 1.00 34.06 C ATOM 703 H ALA B 73 35.835 20.284 1.940 1.00 0.00 H ATOM 704 N PRO B 74 35.219 19.541 5.468 1.00 38.90 N ATOM 705 CA PRO B 74 33.876 19.129 5.900 1.00 41.96 C ATOM 706 C PRO B 74 32.756 20.020 5.347 1.00 35.80 C ATOM 707 O PRO B 74 33.040 21.156 4.960 1.00 32.30 O ATOM 708 CB PRO B 74 33.961 19.238 7.431 1.00 35.01 C ATOM 709 CG PRO B 74 35.015 20.276 7.665 1.00 36.23 C ATOM 710 CD PRO B 74 36.012 20.109 6.576 1.00 37.39 C ATOM 711 N VAL B 75 31.524 19.515 5.295 1.00 32.40 N ATOM 712 CA VAL B 75 30.422 20.341 4.828 1.00 34.63 C ATOM 713 C VAL B 75 29.850 20.940 6.110 1.00 34.80 C ATOM 714 O VAL B 75 28.880 20.431 6.691 1.00 35.51 O ATOM 715 CB VAL B 75 29.390 19.530 4.038 1.00 35.89 C ATOM 716 CG1 VAL B 75 28.209 20.414 3.685 1.00 32.79 C ATOM 717 CG2 VAL B 75 30.024 18.991 2.757 1.00 35.16 C ATOM 718 H VAL B 75 31.351 18.532 5.588 1.00 0.00 H ATOM 719 N THR B 76 30.462 22.044 6.530 1.00 31.24 N ATOM 720 CA THR B 76 30.058 22.757 7.731 1.00 31.55 C ATOM 721 C THR B 76 29.042 23.814 7.305 1.00 35.93 C ATOM 722 O THR B 76 28.912 24.118 6.103 1.00 38.19 O ATOM 723 CB THR B 76 31.236 23.468 8.431 1.00 34.15 C ATOM 724 OG1 THR B 76 31.855 24.378 7.513 1.00 35.52 O ATOM 725 CG2 THR B 76 32.272 22.460 8.903 1.00 34.64 C ATOM 726 HG1 THR B 76 32.611 24.834 7.961 1.00 0.00 H ATOM 727 H THR B 76 31.262 22.412 5.977 1.00 0.00 H ATOM 728 N THR B 77 28.346 24.380 8.290 1.00 32.30 N ATOM 729 CA THR B 77 27.428 25.490 8.098 1.00 30.98 C ATOM 730 C THR B 77 28.136 26.681 7.464 1.00 32.33 C ATOM 731 O THR B 77 27.618 27.295 6.514 1.00 29.72 O ATOM 732 CB THR B 77 26.796 25.912 9.447 1.00 35.50 C ATOM 733 OG1 THR B 77 26.156 24.774 10.033 1.00 35.92 O ATOM 734 CG2 THR B 77 25.784 27.024 9.264 1.00 26.70 C ATOM 735 HG1 THR B 77 25.749 25.034 10.897 1.00 0.00 H ATOM 736 H THR B 77 28.467 24.005 9.253 1.00 0.00 H ATOM 737 N THR B 78 29.321 27.004 7.978 1.00 31.84 N ATOM 738 CA THR B 78 30.137 28.060 7.388 1.00 39.17 C ATOM 739 C THR B 78 30.448 27.770 5.929 1.00 37.03 C ATOM 740 O THR B 78 30.351 28.657 5.072 1.00 41.28 O ATOM 741 CB THR B 78 31.478 28.244 8.121 1.00 45.83 C ATOM 742 OG1 THR B 78 31.245 28.365 9.531 1.00 54.07 O ATOM 743 CG2 THR B 78 32.163 29.501 7.624 1.00 50.20 C ATOM 744 HG1 THR B 78 30.799 27.546 9.862 1.00 0.00 H ATOM 745 H THR B 78 29.671 26.495 8.815 1.00 0.00 H ATOM 746 N ALA B 79 30.840 26.533 5.645 1.00 28.93 N ATOM 747 CA ALA B 79 31.175 26.184 4.274 1.00 32.26 C ATOM 748 C ALA B 79 29.941 26.311 3.378 1.00 31.04 C ATOM 749 O ALA B 79 30.047 26.777 2.232 1.00 32.38 O ATOM 750 CB ALA B 79 31.762 24.765 4.200 1.00 26.26 C ATOM 751 H ALA B 79 30.907 25.819 6.398 1.00 0.00 H ATOM 752 N THR B 80 28.783 25.904 3.911 1.00 30.24 N ATOM 753 CA THR B 80 27.529 25.902 3.161 1.00 31.79 C ATOM 754 C THR B 80 27.096 27.321 2.831 1.00 28.55 C ATOM 755 O THR B 80 26.760 27.620 1.691 1.00 28.63 O ATOM 756 CB THR B 80 26.396 25.187 3.948 1.00 33.88 C ATOM 757 OG1 THR B 80 26.636 23.762 3.981 1.00 27.77 O ATOM 758 CG2 THR B 80 24.982 25.513 3.375 1.00 18.57 C ATOM 759 HG1 THR B 80 27.503 23.585 4.426 1.00 0.00 H ATOM 760 H THR B 80 28.775 25.576 4.898 1.00 0.00 H ATOM 761 N ILE B 81 27.085 28.185 3.837 1.00 31.52 N ATOM 762 CA ILE B 81 26.712 29.575 3.656 1.00 29.59 C ATOM 763 C ILE B 81 27.593 30.213 2.580 1.00 28.12 C ATOM 764 O ILE B 81 27.096 30.933 1.730 1.00 29.03 O ATOM 765 CB ILE B 81 26.833 30.380 4.982 1.00 34.15 C ATOM 766 CG1 ILE B 81 25.887 29.828 6.055 1.00 41.92 C ATOM 767 CG2 ILE B 81 26.552 31.851 4.741 1.00 26.75 C ATOM 768 CD1 ILE B 81 24.493 29.512 5.545 1.00 45.77 C ATOM 769 H ILE B 81 27.352 27.855 4.786 1.00 0.00 H ATOM 770 N GLY B 82 28.895 29.922 2.613 1.00 27.26 N ATOM 771 CA GLY B 82 29.831 30.418 1.620 1.00 26.19 C ATOM 772 C GLY B 82 29.539 29.933 0.210 1.00 27.84 C ATOM 773 O GLY B 82 29.487 30.731 -0.724 1.00 31.36 O ATOM 774 H GLY B 82 29.253 29.317 3.379 1.00 0.00 H ATOM 775 N PHE B 83 29.356 28.623 0.048 1.00 28.72 N ATOM 776 CA PHE B 83 28.947 28.040 -1.228 1.00 21.46 C ATOM 777 C PHE B 83 27.670 28.691 -1.798 1.00 22.21 C ATOM 778 O PHE B 83 27.615 29.058 -2.973 1.00 24.32 O ATOM 779 CB PHE B 83 28.752 26.541 -1.053 1.00 19.02 C ATOM 780 CG PHE B 83 28.040 25.887 -2.194 1.00 23.69 C ATOM 781 CD1 PHE B 83 28.388 26.182 -3.514 1.00 22.71 C ATOM 782 CD2 PHE B 83 27.048 24.958 -1.960 1.00 16.17 C ATOM 783 CE1 PHE B 83 27.723 25.597 -4.565 1.00 25.46 C ATOM 784 CE2 PHE B 83 26.392 24.338 -3.031 1.00 26.76 C ATOM 785 CZ PHE B 83 26.722 24.658 -4.330 1.00 16.84 C ATOM 786 H PHE B 83 29.510 27.992 0.860 1.00 0.00 H ATOM 787 N ILE B 84 26.650 28.855 -0.970 1.00 19.36 N ATOM 788 CA ILE B 84 25.402 29.441 -1.416 1.00 23.74 C ATOM 789 C ILE B 84 25.609 30.900 -1.816 1.00 32.47 C ATOM 790 O ILE B 84 24.991 31.387 -2.786 1.00 27.99 O ATOM 791 CB ILE B 84 24.336 29.325 -0.308 1.00 24.28 C ATOM 792 CG1 ILE B 84 24.016 27.843 -0.052 1.00 20.80 C ATOM 793 CG2 ILE B 84 23.093 30.127 -0.637 1.00 19.90 C ATOM 794 CD1 ILE B 84 23.543 27.102 -1.289 1.00 20.06 C ATOM 795 H ILE B 84 26.747 28.557 0.022 1.00 0.00 H ATOM 796 N LYS B 85 26.534 31.581 -1.174 1.00 26.93 N ATOM 797 CA LYS B 85 26.852 32.935 -1.523 1.00 31.93 C ATOM 798 C LYS B 85 27.521 32.962 -2.854 1.00 30.33 C ATOM 799 O LYS B 85 27.297 33.832 -3.615 1.00 37.96 O ATOM 800 CB LYS B 85 27.793 33.554 -0.521 1.00 38.09 C ATOM 801 CG LYS B 85 27.153 34.201 0.664 1.00 41.81 C ATOM 802 CD LYS B 85 28.144 34.252 1.800 1.00 51.02 C ATOM 803 CE LYS B 85 27.543 34.833 3.062 1.00 64.80 C ATOM 804 NZ LYS B 85 28.545 35.054 4.146 1.00 72.72 N ATOM 805 HZ1 LYS B 85 28.987 34.147 4.398 1.00 0.00 H ATOM 806 HZ2 LYS B 85 29.275 35.716 3.812 1.00 0.00 H ATOM 807 HZ3 LYS B 85 28.069 35.453 4.980 1.00 0.00 H ATOM 808 H LYS B 85 27.048 31.125 -0.393 1.00 0.00 H ATOM 809 N ARG B 86 28.356 31.999 -3.135 1.00 28.19 N ATOM 810 CA ARG B 86 29.017 32.015 -4.430 1.00 31.90 C ATOM 811 C ARG B 86 27.976 31.871 -5.548 1.00 37.07 C ATOM 812 O ARG B 86 28.065 32.540 -6.583 1.00 33.88 O ATOM 813 CB ARG B 86 30.067 30.906 -4.532 1.00 33.81 C ATOM 814 CG ARG B 86 31.405 31.132 -3.797 1.00 41.24 C ATOM 815 CD ARG B 86 32.319 29.922 -4.087 1.00 50.83 C ATOM 816 NE ARG B 86 33.573 29.861 -3.331 1.00 67.10 N ATOM 817 CZ ARG B 86 34.538 28.954 -3.559 1.00 76.02 C ATOM 818 NH1 ARG B 86 34.394 28.045 -4.536 1.00 75.50 N ATOM 819 NH2 ARG B 86 35.656 28.949 -2.821 1.00 75.62 N ATOM 820 HE ARG B 86 33.725 30.559 -2.575 1.00 0.00 H ATOM 821 HH12 ARG B 86 35.143 27.345 -4.709 1.00 0.00 H ATOM 822 HH11 ARG B 86 33.533 28.041 -5.120 1.00 0.00 H ATOM 823 HH22 ARG B 86 36.397 28.243 -3.005 1.00 0.00 H ATOM 824 HH21 ARG B 86 35.783 29.651 -2.064 1.00 0.00 H ATOM 825 H ARG B 86 28.544 31.239 -2.450 1.00 0.00 H ATOM 826 N LEU B 87 26.981 31.007 -5.333 1.00 33.43 N ATOM 827 CA LEU B 87 25.928 30.817 -6.328 1.00 29.54 C ATOM 828 C LEU B 87 25.111 32.088 -6.481 1.00 33.12 C ATOM 829 O LEU B 87 24.687 32.422 -7.593 1.00 27.36 O ATOM 830 CB LEU B 87 25.002 29.661 -5.955 1.00 25.93 C ATOM 831 CG LEU B 87 25.507 28.232 -6.098 1.00 32.00 C ATOM 832 CD1 LEU B 87 24.423 27.284 -5.612 1.00 34.47 C ATOM 833 CD2 LEU B 87 25.926 27.912 -7.533 1.00 31.76 C ATOM 834 H LEU B 87 26.955 30.463 -4.447 1.00 0.00 H ATOM 835 N LYS B 88 24.884 32.770 -5.356 1.00 28.11 N ATOM 836 CA LYS B 88 24.147 34.027 -5.320 1.00 31.79 C ATOM 837 C LYS B 88 24.854 35.150 -6.071 1.00 32.99 C ATOM 838 O LYS B 88 24.218 35.863 -6.835 1.00 39.36 O ATOM 839 CB LYS B 88 23.892 34.457 -3.878 1.00 43.75 C ATOM 840 CG LYS B 88 22.939 33.523 -3.137 1.00 63.60 C ATOM 841 CD LYS B 88 22.688 33.930 -1.668 1.00 75.67 C ATOM 842 CE LYS B 88 21.694 32.973 -0.949 1.00 89.47 C ATOM 843 NZ LYS B 88 21.485 33.382 0.499 1.00 99.41 N ATOM 844 HZ1 LYS B 88 22.395 33.353 1.001 1.00 0.00 H ATOM 845 HZ2 LYS B 88 21.100 34.347 0.533 1.00 0.00 H ATOM 846 HZ3 LYS B 88 20.818 32.725 0.951 1.00 0.00 H ATOM 847 H LYS B 88 25.251 32.386 -4.462 1.00 0.00 H ATOM 848 N GLN B 89 26.151 35.321 -5.860 1.00 31.97 N ATOM 849 CA GLN B 89 26.901 36.264 -6.673 1.00 41.26 C ATOM 850 C GLN B 89 26.699 35.979 -8.164 1.00 43.61 C ATOM 851 O GLN B 89 26.427 36.895 -8.941 1.00 47.73 O ATOM 852 CB GLN B 89 28.393 36.206 -6.365 1.00 49.38 C ATOM 853 CG GLN B 89 28.797 36.586 -4.971 1.00 64.35 C ATOM 854 CD GLN B 89 30.298 36.496 -4.808 1.00 76.21 C ATOM 855 OE1 GLN B 89 31.048 36.699 -5.775 1.00 75.98 O ATOM 856 NE2 GLN B 89 30.753 36.164 -3.596 1.00 78.85 N ATOM 857 HE22 GLN B 89 30.085 36.004 -2.816 1.00 0.00 H ATOM 858 HE21 GLN B 89 31.776 36.066 -3.433 1.00 0.00 H ATOM 859 H GLN B 89 26.632 34.781 -5.113 1.00 0.00 H ATOM 860 N TYR B 90 26.839 34.709 -8.556 1.00 30.91 N ATOM 861 CA TYR B 90 26.760 34.353 -9.957 1.00 33.86 C ATOM 862 C TYR B 90 25.420 34.822 -10.528 1.00 42.93 C ATOM 863 O TYR B 90 25.382 35.410 -11.612 1.00 46.67 O ATOM 864 CB TYR B 90 26.956 32.840 -10.201 1.00 22.82 C ATOM 865 CG TYR B 90 26.854 32.537 -11.683 1.00 25.69 C ATOM 866 CD1 TYR B 90 25.618 32.280 -12.276 1.00 24.40 C ATOM 867 CD2 TYR B 90 27.986 32.577 -12.510 1.00 26.89 C ATOM 868 CE1 TYR B 90 25.505 32.051 -13.644 1.00 27.44 C ATOM 869 CE2 TYR B 90 27.887 32.346 -13.875 1.00 28.88 C ATOM 870 CZ TYR B 90 26.645 32.088 -14.437 1.00 31.75 C ATOM 871 OH TYR B 90 26.531 31.869 -15.792 1.00 30.81 O ATOM 872 HH TYR B 90 25.582 31.702 -16.019 1.00 0.00 H ATOM 873 H TYR B 90 27.007 33.968 -7.846 1.00 0.00 H ATOM 874 N CYS B 91 24.331 34.568 -9.812 1.00 41.57 N ATOM 875 CA CYS B 91 23.019 35.011 -10.255 1.00 49.49 C ATOM 876 C CYS B 91 22.901 36.525 -10.365 1.00 60.01 C ATOM 877 O CYS B 91 22.513 37.052 -11.411 1.00 70.46 O ATOM 878 CB CYS B 91 21.949 34.505 -9.306 1.00 47.60 C ATOM 879 SG CYS B 91 21.819 32.735 -9.316 1.00106.37 S ATOM 880 H CYS B 91 24.418 34.043 -8.919 1.00 0.00 H ATOM 881 N ASP B 92 23.202 37.215 -9.269 1.00 54.54 N ATOM 882 CA ASP B 92 23.187 38.670 -9.247 1.00 57.97 C ATOM 883 C ASP B 92 24.014 39.213 -10.410 1.00 64.78 C ATOM 884 O ASP B 92 23.557 40.082 -11.146 1.00 70.15 O ATOM 885 CB ASP B 92 23.721 39.204 -7.903 1.00 56.87 C ATOM 886 CG ASP B 92 22.841 38.802 -6.721 1.00 65.56 C ATOM 887 OD1 ASP B 92 21.633 38.544 -6.942 1.00 64.20 O ATOM 888 OD2 ASP B 92 23.360 38.736 -5.573 1.00 70.02 O ATOM 889 H ASP B 92 23.456 36.700 -8.402 1.00 0.00 H ATOM 890 N GLN B 93 25.218 38.670 -10.578 1.00 61.69 N ATOM 891 CA GLN B 93 26.127 39.102 -11.631 1.00 55.77 C ATOM 892 C GLN B 93 25.649 38.738 -13.038 1.00 53.07 C ATOM 893 O GLN B 93 26.130 39.316 -14.003 1.00 53.62 O ATOM 894 CB GLN B 93 27.524 38.505 -11.414 1.00 53.01 C ATOM 895 CG GLN B 93 28.324 39.105 -10.268 1.00 65.01 C ATOM 896 CD GLN B 93 29.662 38.380 -10.052 1.00 74.73 C ATOM 897 OE1 GLN B 93 30.172 37.708 -10.953 1.00 73.73 O ATOM 898 NE2 GLN B 93 30.228 38.508 -8.846 1.00 83.49 N ATOM 899 HE22 GLN B 93 29.766 39.084 -8.113 1.00 0.00 H ATOM 900 HE21 GLN B 93 31.130 38.032 -8.642 1.00 0.00 H ATOM 901 H GLN B 93 25.520 37.911 -9.935 1.00 0.00 H ATOM 902 N HIS B 94 24.730 37.781 -13.172 1.00 50.58 N ATOM 903 CA HIS B 94 24.345 37.309 -14.513 1.00 53.62 C ATOM 904 C HIS B 94 22.842 37.293 -14.742 1.00 59.72 C ATOM 905 O HIS B 94 22.355 36.692 -15.715 1.00 57.81 O ATOM 906 CB HIS B 94 24.909 35.912 -14.782 1.00 47.71 C ATOM 907 CG HIS B 94 26.408 35.865 -14.827 1.00 52.12 C ATOM 908 ND1 HIS B 94 27.125 36.061 -15.985 1.00 53.66 N ATOM 909 CD2 HIS B 94 27.325 35.647 -13.849 1.00 47.43 C ATOM 910 CE1 HIS B 94 28.417 35.966 -15.725 1.00 55.24 C ATOM 911 NE2 HIS B 94 28.563 35.718 -14.434 1.00 50.14 N ATOM 912 H HIS B 94 24.284 37.367 -12.328 1.00 0.00 H ATOM 913 N SER B 95 22.110 37.959 -13.857 1.00 65.55 N ATOM 914 CA SER B 95 20.673 38.109 -14.029 1.00 73.06 C ATOM 915 C SER B 95 20.314 39.020 -15.219 1.00 76.91 C ATOM 916 O SER B 95 19.163 39.079 -15.628 1.00 76.41 O ATOM 917 CB SER B 95 20.051 38.727 -12.776 1.00 70.72 C ATOM 918 OG SER B 95 20.575 40.024 -12.543 1.00 75.57 O ATOM 919 HG SER B 95 21.555 39.965 -12.418 1.00 0.00 H ATOM 920 H SER B 95 22.572 38.381 -13.026 1.00 0.00 H ATOM 921 N HIS B 96 21.292 39.730 -15.772 1.00 84.32 N ATOM 922 CA HIS B 96 21.000 40.654 -16.865 1.00102.59 C ATOM 923 C HIS B 96 21.593 40.071 -18.153 1.00107.42 C ATOM 924 O HIS B 96 22.129 40.810 -18.977 1.00110.60 O ATOM 925 CB HIS B 96 21.588 42.048 -16.621 1.00112.90 C ATOM 926 CG HIS B 96 21.071 42.712 -15.378 1.00121.51 C ATOM 927 ND1 HIS B 96 19.768 43.150 -15.253 1.00127.94 N ATOM 928 CD2 HIS B 96 21.681 43.008 -14.209 1.00122.07 C ATOM 929 CE1 HIS B 96 19.599 43.690 -14.060 1.00128.50 C ATOM 930 NE2 HIS B 96 20.747 43.617 -13.404 1.00125.89 N ATOM 931 H HIS B 96 22.267 39.627 -15.426 1.00 0.00 H ATOM 932 N ASP B 97 21.505 38.745 -18.292 1.00107.36 N ATOM 933 CA ASP B 97 21.764 38.012 -19.550 1.00105.74 C ATOM 934 C ASP B 97 23.140 38.139 -20.213 1.00 90.19 C ATOM 935 O ASP B 97 23.244 38.517 -21.384 1.00 87.68 O ATOM 936 CB ASP B 97 20.698 38.418 -20.574 1.00118.39 C ATOM 937 CG ASP B 97 19.478 37.515 -20.541 1.00122.05 C ATOM 938 OD1 ASP B 97 19.632 36.323 -20.176 1.00116.45 O ATOM 939 OD2 ASP B 97 18.372 37.996 -20.895 1.00127.25 O ATOM 940 H ASP B 97 21.235 38.189 -17.456 1.00 0.00 H ATOM 941 N SER B 98 24.194 37.782 -19.493 1.00 79.25 N ATOM 942 CA SER B 98 25.543 37.972 -20.033 1.00 86.47 C ATOM 943 C SER B 98 26.046 36.855 -20.968 1.00 92.46 C ATOM 944 O SER B 98 26.922 36.086 -20.582 1.00 91.98 O ATOM 945 CB SER B 98 26.537 38.133 -18.883 1.00 82.53 C ATOM 946 OG SER B 98 27.855 38.272 -19.389 1.00 75.62 O ATOM 947 HG SER B 98 28.093 37.466 -19.913 1.00 0.00 H ATOM 948 H SER B 98 24.064 37.368 -18.548 1.00 0.00 H ATOM 949 N SER B 99 25.517 36.787 -22.195 1.00 92.24 N ATOM 950 CA SER B 99 26.042 35.911 -23.268 1.00 92.50 C ATOM 951 C SER B 99 25.918 34.382 -23.029 1.00 55.96 C ATOM 952 O SER B 99 26.800 33.609 -23.397 1.00 55.85 O ATOM 953 CB SER B 99 27.504 36.281 -23.570 1.00 95.68 C ATOM 954 OG SER B 99 27.638 37.587 -24.106 1.00 96.32 O ATOM 955 HG SER B 99 28.594 37.774 -24.282 1.00 0.00 H ATOM 956 H SER B 99 24.691 37.382 -22.407 1.00 0.00 H ATOM 957 N ASN B 100 24.800 33.948 -22.452 1.00 51.87 N ATOM 958 CA ASN B 100 24.531 32.520 -22.272 1.00 51.93 C ATOM 959 C ASN B 100 23.530 31.981 -23.310 1.00 54.53 C ATOM 960 O ASN B 100 23.116 30.813 -23.250 1.00 44.69 O ATOM 961 CB ASN B 100 24.005 32.243 -20.859 1.00 46.89 C ATOM 962 CG ASN B 100 22.632 32.835 -20.638 1.00 52.50 C ATOM 963 OD1 ASN B 100 22.310 33.903 -21.173 1.00 59.61 O ATOM 964 ND2 ASN B 100 21.806 32.144 -19.871 1.00 47.30 N ATOM 965 HD22 ASN B 100 22.120 31.250 -19.442 1.00 0.00 H ATOM 966 HD21 ASN B 100 20.842 32.494 -19.697 1.00 0.00 H ATOM 967 H ASN B 100 24.099 34.641 -22.120 1.00 0.00 H ATOM 968 N GLU B 101 23.134 32.822 -24.261 1.00 60.68 N ATOM 969 CA GLU B 101 22.251 32.345 -25.311 1.00 71.02 C ATOM 970 C GLU B 101 22.958 31.356 -26.235 1.00 65.79 C ATOM 971 O GLU B 101 24.060 31.605 -26.727 1.00 65.00 O ATOM 972 CB GLU B 101 21.691 33.504 -26.130 1.00 85.19 C ATOM 973 CG GLU B 101 20.835 33.027 -27.295 1.00102.71 C ATOM 974 CD GLU B 101 20.457 34.144 -28.250 1.00114.48 C ATOM 975 OE1 GLU B 101 20.335 35.300 -27.785 1.00118.60 O ATOM 976 OE2 GLU B 101 20.289 33.866 -29.463 1.00117.49 O ATOM 977 H GLU B 101 23.453 33.812 -24.253 1.00 0.00 H ATOM 978 N GLY B 102 22.312 30.216 -26.443 1.00 62.61 N ATOM 979 CA GLY B 102 22.714 29.279 -27.471 1.00 60.25 C ATOM 980 C GLY B 102 23.831 28.352 -27.064 1.00 52.48 C ATOM 981 O GLY B 102 24.441 27.708 -27.915 1.00 55.95 O ATOM 982 H GLY B 102 21.490 29.988 -25.848 1.00 0.00 H ATOM 983 N LEU B 103 24.095 28.278 -25.763 1.00 47.27 N ATOM 984 CA LEU B 103 25.145 27.413 -25.236 1.00 45.25 C ATOM 985 C LEU B 103 24.682 25.965 -24.979 1.00 53.48 C ATOM 986 O LEU B 103 23.616 25.721 -24.386 1.00 54.82 O ATOM 987 CB LEU B 103 25.706 28.004 -23.943 1.00 46.81 C ATOM 988 CG LEU B 103 26.586 29.256 -24.001 1.00 45.79 C ATOM 989 CD1 LEU B 103 27.054 29.650 -22.594 1.00 38.93 C ATOM 990 CD2 LEU B 103 27.772 29.005 -24.898 1.00 45.19 C ATOM 991 H LEU B 103 23.536 28.854 -25.101 1.00 0.00 H ATOM 992 N GLN B 104 25.492 25.015 -25.438 1.00 51.35 N ATOM 993 CA GLN B 104 25.333 23.609 -25.112 1.00 52.10 C ATOM 994 C GLN B 104 26.599 22.954 -24.643 1.00 46.58 C ATOM 995 O GLN B 104 27.358 22.465 -25.457 1.00 55.06 O ATOM 996 CB GLN B 104 24.922 22.771 -26.318 1.00 53.52 C ATOM 997 CG GLN B 104 23.538 22.995 -26.853 1.00 66.89 C ATOM 998 CD GLN B 104 23.404 22.434 -28.265 1.00 88.14 C ATOM 999 OE1 GLN B 104 24.160 21.530 -28.664 1.00 98.29 O ATOM 1000 NE2 GLN B 104 22.459 22.978 -29.039 1.00 89.45 N ATOM 1001 HE22 GLN B 104 21.849 23.732 -28.663 1.00 0.00 H ATOM 1002 HE21 GLN B 104 22.334 22.647 -30.017 1.00 0.00 H ATOM 1003 H GLN B 104 26.277 25.293 -26.061 1.00 0.00 H ATOM 1004 N SER B 105 26.848 22.936 -23.342 1.00 45.50 N ATOM 1005 CA SER B 105 28.018 22.227 -22.833 1.00 41.71 C ATOM 1006 C SER B 105 27.726 21.194 -21.757 1.00 41.77 C ATOM 1007 O SER B 105 28.586 20.901 -20.918 1.00 39.10 O ATOM 1008 CB SER B 105 28.952 23.330 -22.299 1.00 39.24 C ATOM 1009 OG SER B 105 28.473 23.925 -21.100 1.00 42.64 O ATOM 1010 HG SER B 105 29.109 24.623 -20.803 1.00 0.00 H ATOM 1011 H SER B 105 26.210 23.427 -22.683 1.00 0.00 H ATOM 1012 N MET B 106 26.522 20.624 -21.790 1.00 40.09 N ATOM 1013 CA MET B 106 26.122 19.706 -20.728 1.00 41.01 C ATOM 1014 C MET B 106 26.975 18.438 -20.717 1.00 45.10 C ATOM 1015 O MET B 106 27.438 18.028 -19.659 1.00 47.32 O ATOM 1016 CB MET B 106 24.640 19.334 -20.823 1.00 39.69 C ATOM 1017 CG MET B 106 24.143 18.475 -19.634 1.00 39.72 C ATOM 1018 SD MET B 106 24.257 19.220 -17.963 1.00 36.92 S ATOM 1019 CE MET B 106 22.844 20.326 -18.004 1.00 33.19 C ATOM 1020 H MET B 106 25.868 20.833 -22.571 1.00 0.00 H ATOM 1021 N ILE B 107 27.187 17.824 -21.875 1.00 44.29 N ATOM 1022 CA ILE B 107 27.975 16.607 -21.951 1.00 48.18 C ATOM 1023 C ILE B 107 29.441 16.871 -21.564 1.00 52.83 C ATOM 1024 O ILE B 107 30.076 16.040 -20.885 1.00 54.96 O ATOM 1025 CB ILE B 107 27.857 15.964 -23.384 1.00 57.95 C ATOM 1026 CG1 ILE B 107 28.453 14.550 -23.406 1.00 55.08 C ATOM 1027 CG2 ILE B 107 28.407 16.863 -24.488 1.00 58.06 C ATOM 1028 CD1 ILE B 107 28.114 13.698 -22.213 1.00 61.87 C ATOM 1029 H ILE B 107 26.780 18.223 -22.745 1.00 0.00 H ATOM 1030 N GLN B 108 29.973 18.025 -21.964 1.00 45.12 N ATOM 1031 CA GLN B 108 31.340 18.377 -21.605 1.00 44.65 C ATOM 1032 C GLN B 108 31.431 18.578 -20.086 1.00 46.73 C ATOM 1033 O GLN B 108 32.409 18.162 -19.449 1.00 41.35 O ATOM 1034 CB GLN B 108 31.797 19.637 -22.346 1.00 44.85 C ATOM 1035 CG GLN B 108 32.002 19.478 -23.854 1.00 48.95 C ATOM 1036 CD GLN B 108 30.711 19.506 -24.665 1.00 56.17 C ATOM 1037 OE1 GLN B 108 29.614 19.709 -24.132 1.00 52.43 O ATOM 1038 NE2 GLN B 108 30.842 19.304 -25.972 1.00 58.74 N ATOM 1039 HE22 GLN B 108 31.784 19.137 -26.381 1.00 0.00 H ATOM 1040 HE21 GLN B 108 30.003 19.313 -26.586 1.00 0.00 H ATOM 1041 H GLN B 108 29.406 18.681 -22.538 1.00 0.00 H ATOM 1042 N CYS B 109 30.408 19.213 -19.511 1.00 38.16 N ATOM 1043 CA CYS B 109 30.359 19.423 -18.077 1.00 35.06 C ATOM 1044 C CYS B 109 30.343 18.087 -17.376 1.00 36.03 C ATOM 1045 O CYS B 109 31.152 17.843 -16.494 1.00 35.31 O ATOM 1046 CB CYS B 109 29.134 20.232 -17.671 1.00 32.54 C ATOM 1047 SG CYS B 109 29.047 20.543 -15.867 1.00 34.69 S ATOM 1048 H CYS B 109 29.629 19.565 -20.104 1.00 0.00 H ATOM 1049 N LEU B 110 29.424 17.219 -17.788 1.00 37.43 N ATOM 1050 CA LEU B 110 29.328 15.851 -17.267 1.00 40.69 C ATOM 1051 C LEU B 110 30.660 15.091 -17.302 1.00 41.60 C ATOM 1052 O LEU B 110 30.993 14.387 -16.353 1.00 44.42 O ATOM 1053 CB LEU B 110 28.277 15.073 -18.053 1.00 53.12 C ATOM 1054 CG LEU B 110 28.037 13.598 -17.747 1.00 63.83 C ATOM 1055 CD1 LEU B 110 27.523 13.426 -16.305 1.00 57.65 C ATOM 1056 CD2 LEU B 110 27.081 12.976 -18.763 1.00 66.46 C ATOM 1057 H LEU B 110 28.743 17.524 -18.512 1.00 0.00 H ATOM 1058 N LEU B 111 31.421 15.250 -18.386 1.00 43.89 N ATOM 1059 CA LEU B 111 32.697 14.556 -18.555 1.00 47.04 C ATOM 1060 C LEU B 111 33.814 15.151 -17.700 1.00 45.65 C ATOM 1061 O LEU B 111 34.649 14.410 -17.170 1.00 51.80 O ATOM 1062 CB LEU B 111 33.123 14.559 -20.038 1.00 50.50 C ATOM 1063 CG LEU B 111 32.337 13.674 -21.011 1.00 53.93 C ATOM 1064 CD1 LEU B 111 32.808 13.919 -22.437 1.00 60.37 C ATOM 1065 CD2 LEU B 111 32.465 12.190 -20.660 1.00 57.21 C ATOM 1066 H LEU B 111 31.095 15.890 -19.138 1.00 0.00 H ATOM 1067 N VAL B 112 33.865 16.480 -17.603 1.00 42.59 N ATOM 1068 CA VAL B 112 34.777 17.148 -16.666 1.00 46.70 C ATOM 1069 C VAL B 112 34.533 16.673 -15.229 1.00 47.68 C ATOM 1070 O VAL B 112 35.472 16.395 -14.488 1.00 50.05 O ATOM 1071 CB VAL B 112 34.623 18.683 -16.697 1.00 39.10 C ATOM 1072 CG1 VAL B 112 35.435 19.344 -15.577 1.00 36.85 C ATOM 1073 CG2 VAL B 112 35.029 19.230 -18.055 1.00 40.84 C ATOM 1074 H VAL B 112 33.244 17.057 -18.205 1.00 0.00 H ATOM 1075 N VAL B 113 33.264 16.591 -14.843 1.00 39.42 N ATOM 1076 CA VAL B 113 32.895 16.166 -13.504 1.00 39.14 C ATOM 1077 C VAL B 113 33.345 14.727 -13.268 1.00 46.78 C ATOM 1078 O VAL B 113 33.892 14.396 -12.210 1.00 45.97 O ATOM 1079 CB VAL B 113 31.362 16.290 -13.279 1.00 39.70 C ATOM 1080 CG1 VAL B 113 30.920 15.460 -12.107 1.00 34.31 C ATOM 1081 CG2 VAL B 113 30.971 17.738 -13.094 1.00 32.90 C ATOM 1082 H VAL B 113 32.513 16.838 -15.519 1.00 0.00 H ATOM 1083 N SER B 114 33.121 13.875 -14.261 1.00 50.19 N ATOM 1084 CA SER B 114 33.504 12.477 -14.141 1.00 57.74 C ATOM 1085 C SER B 114 35.018 12.357 -13.984 1.00 57.12 C ATOM 1086 O SER B 114 35.508 11.504 -13.243 1.00 55.81 O ATOM 1087 CB SER B 114 33.010 11.670 -15.351 1.00 60.15 C ATOM 1088 OG SER B 114 31.586 11.619 -15.371 1.00 60.72 O ATOM 1089 HG SER B 114 31.225 12.539 -15.429 1.00 0.00 H ATOM 1090 H SER B 114 32.667 14.211 -15.134 1.00 0.00 H ATOM 1091 N LEU B 115 35.758 13.230 -14.657 1.00 57.08 N ATOM 1092 CA LEU B 115 37.213 13.191 -14.574 1.00 57.02 C ATOM 1093 C LEU B 115 37.683 13.807 -13.263 1.00 55.10 C ATOM 1094 O LEU B 115 38.547 13.242 -12.586 1.00 55.21 O ATOM 1095 CB LEU B 115 37.850 13.905 -15.764 1.00 57.69 C ATOM 1096 CG LEU B 115 37.948 13.092 -17.060 1.00 63.72 C ATOM 1097 CD1 LEU B 115 38.091 14.011 -18.261 1.00 62.71 C ATOM 1098 CD2 LEU B 115 39.120 12.124 -16.999 1.00 67.90 C ATOM 1099 H LEU B 115 35.295 13.949 -15.249 1.00 0.00 H ATOM 1100 N ASP B 116 37.115 14.955 -12.896 1.00 48.63 N ATOM 1101 CA ASP B 116 37.406 15.557 -11.601 1.00 46.05 C ATOM 1102 C ASP B 116 37.096 14.586 -10.450 1.00 49.24 C ATOM 1103 O ASP B 116 37.929 14.409 -9.557 1.00 44.01 O ATOM 1104 CB ASP B 116 36.632 16.864 -11.422 1.00 43.92 C ATOM 1105 CG ASP B 116 37.254 18.026 -12.194 1.00 48.43 C ATOM 1106 OD1 ASP B 116 38.431 17.893 -12.605 1.00 47.29 O ATOM 1107 OD2 ASP B 116 36.583 19.071 -12.385 1.00 46.46 O ATOM 1108 H ASP B 116 36.454 15.429 -13.544 1.00 0.00 H ATOM 1109 N ILE B 117 35.954 13.932 -10.497 1.00 47.66 N ATOM 1110 CA ILE B 117 35.577 13.006 -9.469 1.00 53.92 C ATOM 1111 C ILE B 117 36.588 11.897 -9.364 1.00 58.17 C ATOM 1112 O ILE B 117 37.146 11.654 -8.315 1.00 60.44 O ATOM 1113 CB ILE B 117 34.159 12.435 -9.721 1.00 49.74 C ATOM 1114 CG1 ILE B 117 33.098 13.403 -9.232 1.00 37.86 C ATOM 1115 CG2 ILE B 117 33.899 11.112 -9.022 1.00 45.14 C ATOM 1116 CD1 ILE B 117 31.697 12.923 -9.423 1.00 37.60 C ATOM 1117 H ILE B 117 35.310 14.091 -11.298 1.00 0.00 H ATOM 1118 N LYS B 118 36.782 11.208 -10.472 1.00 61.75 N ATOM 1119 CA LYS B 118 37.670 10.057 -10.516 1.00 59.97 C ATOM 1120 C LYS B 118 39.062 10.418 -10.013 1.00 58.17 C ATOM 1121 O LYS B 118 39.663 9.639 -9.287 1.00 64.40 O ATOM 1122 CB LYS B 118 37.746 9.475 -11.930 1.00 61.15 C ATOM 1123 CG LYS B 118 38.511 8.157 -11.975 1.00 76.80 C ATOM 1124 CD LYS B 118 38.174 7.280 -13.186 1.00 81.11 C ATOM 1125 CE LYS B 118 38.938 5.946 -13.106 1.00 83.02 C ATOM 1126 NZ LYS B 118 38.745 5.085 -14.305 1.00 86.49 N ATOM 1127 HZ1 LYS B 118 37.735 4.862 -14.411 1.00 0.00 H ATOM 1128 HZ2 LYS B 118 39.081 5.589 -15.150 1.00 0.00 H ATOM 1129 HZ3 LYS B 118 39.285 4.204 -14.188 1.00 0.00 H ATOM 1130 H LYS B 118 36.286 11.496 -11.339 1.00 0.00 H ATOM 1131 N GLN B 119 39.567 11.596 -10.374 1.00 55.40 N ATOM 1132 CA GLN B 119 40.838 12.061 -9.819 1.00 56.87 C ATOM 1133 C GLN B 119 40.720 12.244 -8.307 1.00 60.11 C ATOM 1134 O GLN B 119 41.543 11.724 -7.548 1.00 63.60 O ATOM 1135 CB GLN B 119 41.290 13.367 -10.474 1.00 55.15 C ATOM 1136 CG GLN B 119 42.544 13.978 -9.862 1.00 56.70 C ATOM 1137 CD GLN B 119 43.811 13.174 -10.165 1.00 75.77 C ATOM 1138 OE1 GLN B 119 44.115 12.893 -11.333 1.00 74.96 O ATOM 1139 NE2 GLN B 119 44.558 12.802 -9.113 1.00 71.63 N ATOM 1140 HE22 GLN B 119 44.264 13.060 -8.149 1.00 0.00 H ATOM 1141 HE21 GLN B 119 45.430 12.256 -9.262 1.00 0.00 H ATOM 1142 H GLN B 119 39.054 12.190 -11.056 1.00 0.00 H ATOM 1143 N GLN B 120 39.676 12.959 -7.887 1.00 50.48 N ATOM 1144 CA GLN B 120 39.476 13.340 -6.501 1.00 48.53 C ATOM 1145 C GLN B 120 39.543 12.196 -5.498 1.00 58.93 C ATOM 1146 O GLN B 120 40.187 12.306 -4.458 1.00 52.59 O ATOM 1147 CB GLN B 120 38.116 14.032 -6.341 1.00 48.05 C ATOM 1148 CG GLN B 120 37.823 14.478 -4.918 1.00 47.82 C ATOM 1149 CD GLN B 120 38.805 15.527 -4.432 1.00 53.38 C ATOM 1150 OE1 GLN B 120 39.346 16.287 -5.232 1.00 57.16 O ATOM 1151 NE2 GLN B 120 39.045 15.573 -3.121 1.00 42.41 N ATOM 1152 HE22 GLN B 120 38.564 14.910 -2.481 1.00 0.00 H ATOM 1153 HE21 GLN B 120 39.713 16.272 -2.739 1.00 0.00 H ATOM 1154 H GLN B 120 38.969 13.259 -8.588 1.00 0.00 H ATOM 1155 N PHE B 121 38.729 11.188 -5.756 1.00 61.44 N ATOM 1156 CA PHE B 121 38.482 10.094 -4.852 1.00 61.21 C ATOM 1157 C PHE B 121 39.343 8.853 -4.953 1.00 77.01 C ATOM 1158 O PHE B 121 39.620 8.200 -3.969 1.00 93.94 O ATOM 1159 CB PHE B 121 36.981 9.920 -4.718 1.00 56.56 C ATOM 1160 CG PHE B 121 36.314 11.125 -4.150 1.00 57.59 C ATOM 1161 CD1 PHE B 121 36.716 11.636 -2.941 1.00 53.97 C ATOM 1162 CD2 PHE B 121 35.321 11.768 -4.840 1.00 54.80 C ATOM 1163 CE1 PHE B 121 36.120 12.753 -2.419 1.00 51.66 C ATOM 1164 CE2 PHE B 121 34.725 12.880 -4.325 1.00 47.78 C ATOM 1165 CZ PHE B 121 35.126 13.379 -3.117 1.00 48.14 C ATOM 1166 H PHE B 121 38.235 11.184 -6.671 1.00 0.00 H ATOM 1167 N GLN B 122 39.750 8.533 -6.151 1.00 75.07 N ATOM 1168 CA GLN B 122 40.735 7.493 -6.437 1.00 79.98 C ATOM 1169 C GLN B 122 40.101 6.256 -5.809 1.00 87.06 C ATOM 1170 O GLN B 122 38.889 6.054 -5.892 1.00 96.38 O ATOM 1171 CB GLN B 122 42.128 7.698 -5.829 1.00 80.04 C ATOM 1172 CG GLN B 122 42.916 8.861 -6.427 1.00 83.91 C ATOM 1173 CD GLN B 122 43.162 8.706 -7.928 1.00 96.34 C ATOM 1174 OE1 GLN B 122 43.447 7.609 -8.413 1.00 97.89 O ATOM 1175 NE2 GLN B 122 43.057 9.812 -8.666 1.00101.93 N ATOM 1176 HE22 GLN B 122 42.814 10.717 -8.215 1.00 0.00 H ATOM 1177 HE21 GLN B 122 43.218 9.769 -9.693 1.00 0.00 H ATOM 1178 H GLN B 122 39.346 9.053 -6.956 1.00 0.00 H ATOM 1179 N ALA B 123 40.936 5.451 -5.160 1.00 86.80 N ATOM 1180 CA ALA B 123 40.499 4.197 -4.573 1.00 80.71 C ATOM 1181 C ALA B 123 39.967 4.409 -3.167 1.00 78.36 C ATOM 1182 O ALA B 123 40.561 3.953 -2.189 1.00 84.23 O ATOM 1183 CB ALA B 123 41.689 3.271 -4.559 1.00 87.90 C ATOM 1184 H ALA B 123 41.934 5.728 -5.070 1.00 0.00 H ATOM 1185 N ARG B 124 38.830 5.057 -3.063 1.00 72.73 N ATOM 1186 CA ARG B 124 38.238 5.301 -1.786 1.00 74.98 C ATOM 1187 C ARG B 124 36.888 4.652 -1.769 1.00 77.12 C ATOM 1188 O ARG B 124 36.241 4.634 -2.771 1.00 80.17 O ATOM 1189 CB ARG B 124 38.010 6.798 -1.645 1.00 74.09 C ATOM 1190 CG ARG B 124 39.150 7.642 -1.126 1.00 77.66 C ATOM 1191 CD ARG B 124 38.593 8.717 -0.198 1.00 77.23 C ATOM 1192 NE ARG B 124 39.221 10.017 -0.380 1.00 79.38 N ATOM 1193 CZ ARG B 124 38.951 11.081 0.356 1.00 74.92 C ATOM 1194 NH1 ARG B 124 38.071 10.992 1.328 1.00 69.07 N ATOM 1195 NH2 ARG B 124 39.570 12.223 0.133 1.00 69.50 N ATOM 1196 HE ARG B 124 39.927 10.115 -1.137 1.00 0.00 H ATOM 1197 HH12 ARG B 124 37.854 11.826 1.911 1.00 0.00 H ATOM 1198 HH11 ARG B 124 37.592 10.088 1.514 1.00 0.00 H ATOM 1199 HH22 ARG B 124 39.352 13.056 0.717 1.00 0.00 H ATOM 1200 HH21 ARG B 124 40.277 12.292 -0.627 1.00 0.00 H ATOM 1201 H ARG B 124 38.354 5.398 -3.922 1.00 0.00 H ATOM 1202 N LYS B 125 36.464 4.104 -0.639 1.00 78.38 N ATOM 1203 CA LYS B 125 35.110 3.572 -0.467 1.00 76.10 C ATOM 1204 C LYS B 125 34.159 4.707 -0.061 1.00 71.50 C ATOM 1205 O LYS B 125 33.924 4.981 1.122 1.00 76.04 O ATOM 1206 CB LYS B 125 35.078 2.423 0.553 1.00 79.51 C ATOM 1207 CG LYS B 125 35.821 1.166 0.081 1.00 90.17 C ATOM 1208 CD LYS B 125 35.803 0.037 1.116 1.00 99.51 C ATOM 1209 CE LYS B 125 36.529 -1.216 0.615 1.00102.49 C ATOM 1210 NZ LYS B 125 36.544 -2.324 1.620 1.00103.05 N ATOM 1211 HZ1 LYS B 125 37.028 -2.002 2.482 1.00 0.00 H ATOM 1212 HZ2 LYS B 125 35.567 -2.595 1.850 1.00 0.00 H ATOM 1213 HZ3 LYS B 125 37.048 -3.143 1.224 1.00 0.00 H ATOM 1214 H LYS B 125 37.124 4.049 0.163 1.00 0.00 H ATOM 1215 N ILE B 126 33.625 5.375 -1.074 1.00 61.54 N ATOM 1216 CA ILE B 126 32.713 6.484 -0.867 1.00 56.56 C ATOM 1217 C ILE B 126 31.579 6.427 -1.879 1.00 54.61 C ATOM 1218 O ILE B 126 31.810 6.233 -3.070 1.00 56.91 O ATOM 1219 CB ILE B 126 33.443 7.855 -0.981 1.00 61.47 C ATOM 1220 CG1 ILE B 126 32.485 8.995 -0.610 1.00 61.74 C ATOM 1221 CG2 ILE B 126 34.041 8.050 -2.391 1.00 57.33 C ATOM 1222 CD1 ILE B 126 33.149 10.318 -0.388 1.00 60.38 C ATOM 1223 H ILE B 126 33.867 5.096 -2.046 1.00 0.00 H ATOM 1224 N LEU B 127 30.348 6.572 -1.409 1.00 52.75 N ATOM 1225 CA LEU B 127 29.236 6.764 -2.323 1.00 57.89 C ATOM 1226 C LEU B 127 29.480 8.046 -3.115 1.00 55.75 C ATOM 1227 O LEU B 127 29.733 9.097 -2.542 1.00 56.32 O ATOM 1228 CB LEU B 127 27.916 6.837 -1.559 1.00 61.65 C ATOM 1229 CG LEU B 127 26.660 7.108 -2.380 1.00 69.22 C ATOM 1230 CD1 LEU B 127 26.434 5.961 -3.366 1.00 74.74 C ATOM 1231 CD2 LEU B 127 25.451 7.303 -1.480 1.00 79.60 C ATOM 1232 H LEU B 127 30.178 6.548 -0.383 1.00 0.00 H ATOM 1233 N LYS B 128 29.419 7.975 -4.429 1.00 56.54 N ATOM 1234 CA LYS B 128 29.626 9.114 -5.286 1.00 50.17 C ATOM 1235 C LYS B 128 28.306 9.402 -5.950 1.00 55.01 C ATOM 1236 O LYS B 128 27.595 8.517 -6.292 1.00 63.25 O ATOM 1237 CB LYS B 128 30.726 8.847 -6.282 1.00 51.49 C ATOM 1238 CG LYS B 128 32.095 8.970 -5.670 1.00 63.97 C ATOM 1239 CD LYS B 128 33.177 8.233 -6.429 1.00 76.81 C ATOM 1240 CE LYS B 128 32.694 6.895 -6.953 1.00 89.08 C ATOM 1241 NZ LYS B 128 33.380 5.764 -6.279 1.00101.33 N ATOM 1242 HZ1 LYS B 128 34.404 5.832 -6.446 1.00 0.00 H ATOM 1243 HZ2 LYS B 128 33.191 5.805 -5.257 1.00 0.00 H ATOM 1244 HZ3 LYS B 128 33.024 4.866 -6.663 1.00 0.00 H ATOM 1245 H LYS B 128 29.212 7.055 -4.867 1.00 0.00 H ATOM 1246 N GLN B 129 27.976 10.662 -6.117 1.00 53.32 N ATOM 1247 CA GLN B 129 26.713 11.027 -6.695 1.00 52.02 C ATOM 1248 C GLN B 129 26.817 12.321 -7.459 1.00 47.97 C ATOM 1249 O GLN B 129 27.594 13.151 -7.155 1.00 40.30 O ATOM 1250 CB GLN B 129 25.773 11.233 -5.545 1.00 60.68 C ATOM 1251 CG GLN B 129 24.343 10.922 -5.807 1.00 64.44 C ATOM 1252 CD GLN B 129 23.554 10.896 -4.538 1.00 65.10 C ATOM 1253 OE1 GLN B 129 22.760 10.009 -4.324 1.00 72.38 O ATOM 1254 NE2 GLN B 129 23.784 11.860 -3.683 1.00 51.60 N ATOM 1255 HE22 GLN B 129 24.476 12.602 -3.910 1.00 0.00 H ATOM 1256 HE21 GLN B 129 23.274 11.884 -2.777 1.00 0.00 H ATOM 1257 H GLN B 129 28.640 11.408 -5.826 1.00 0.00 H ATOM 1258 N ILE B 130 25.996 12.470 -8.459 1.00 46.89 N ATOM 1259 CA ILE B 130 25.945 13.664 -9.274 1.00 45.34 C ATOM 1260 C ILE B 130 24.500 14.074 -9.370 1.00 40.26 C ATOM 1261 O ILE B 130 23.702 13.334 -9.851 1.00 39.87 O ATOM 1262 CB ILE B 130 26.496 13.486 -10.685 1.00 47.08 C ATOM 1263 CG1 ILE B 130 27.983 13.283 -10.652 1.00 37.65 C ATOM 1264 CG2 ILE B 130 26.234 14.703 -11.535 1.00 31.99 C ATOM 1265 CD1 ILE B 130 28.518 12.757 -11.941 1.00 37.64 C ATOM 1266 H ILE B 130 25.344 11.691 -8.683 1.00 0.00 H ATOM 1267 N VAL B 131 24.177 15.265 -8.908 1.00 33.85 N ATOM 1268 CA VAL B 131 22.805 15.741 -8.970 1.00 31.81 C ATOM 1269 C VAL B 131 22.692 16.842 -10.012 1.00 33.26 C ATOM 1270 O VAL B 131 23.436 17.811 -9.981 1.00 30.40 O ATOM 1271 CB VAL B 131 22.342 16.249 -7.594 1.00 33.65 C ATOM 1272 CG1 VAL B 131 20.937 16.860 -7.690 1.00 28.42 C ATOM 1273 CG2 VAL B 131 22.359 15.103 -6.599 1.00 27.42 C ATOM 1274 H VAL B 131 24.913 15.872 -8.494 1.00 0.00 H ATOM 1275 N VAL B 132 21.767 16.689 -10.945 1.00 34.98 N ATOM 1276 CA VAL B 132 21.720 17.571 -12.100 1.00 28.25 C ATOM 1277 C VAL B 132 20.431 18.349 -12.148 1.00 30.56 C ATOM 1278 O VAL B 132 19.361 17.751 -12.197 1.00 33.03 O ATOM 1279 CB VAL B 132 21.851 16.772 -13.425 1.00 33.53 C ATOM 1280 CG1 VAL B 132 21.754 17.713 -14.640 1.00 31.58 C ATOM 1281 CG2 VAL B 132 23.135 15.971 -13.441 1.00 32.16 C ATOM 1282 H VAL B 132 21.064 15.928 -10.851 1.00 0.00 H ATOM 1283 N PHE B 133 20.532 19.676 -12.186 1.00 28.33 N ATOM 1284 CA PHE B 133 19.360 20.545 -12.286 1.00 26.46 C ATOM 1285 C PHE B 133 19.256 21.136 -13.680 1.00 33.85 C ATOM 1286 O PHE B 133 20.079 21.990 -14.034 1.00 26.82 O ATOM 1287 CB PHE B 133 19.434 21.696 -11.290 1.00 24.12 C ATOM 1288 CG PHE B 133 19.450 21.270 -9.843 1.00 24.52 C ATOM 1289 CD1 PHE B 133 20.651 21.005 -9.194 1.00 23.60 C ATOM 1290 CD2 PHE B 133 18.265 21.187 -9.121 1.00 25.38 C ATOM 1291 CE1 PHE B 133 20.656 20.650 -7.848 1.00 29.06 C ATOM 1292 CE2 PHE B 133 18.267 20.820 -7.772 1.00 25.61 C ATOM 1293 CZ PHE B 133 19.458 20.549 -7.138 1.00 24.87 C ATOM 1294 H PHE B 133 21.476 20.109 -12.143 1.00 0.00 H ATOM 1295 N THR B 134 18.271 20.696 -14.456 1.00 30.62 N ATOM 1296 CA THR B 134 18.081 21.197 -15.812 1.00 36.43 C ATOM 1297 C THR B 134 16.642 21.004 -16.276 1.00 42.58 C ATOM 1298 O THR B 134 15.908 20.181 -15.728 1.00 47.73 O ATOM 1299 CB THR B 134 19.029 20.504 -16.808 1.00 42.06 C ATOM 1300 OG1 THR B 134 18.876 21.091 -18.106 1.00 52.91 O ATOM 1301 CG2 THR B 134 18.721 19.016 -16.889 1.00 48.34 C ATOM 1302 HG1 THR B 134 19.096 22.055 -18.059 1.00 0.00 H ATOM 1303 H THR B 134 17.619 19.975 -14.086 1.00 0.00 H ATOM 1304 N ASP B 135 16.244 21.766 -17.289 1.00 47.18 N ATOM 1305 CA ASP B 135 14.892 21.680 -17.828 1.00 52.12 C ATOM 1306 C ASP B 135 14.903 21.157 -19.261 1.00 52.31 C ATOM 1307 O ASP B 135 13.872 21.143 -19.934 1.00 58.75 O ATOM 1308 CB ASP B 135 14.205 23.046 -17.772 1.00 52.07 C ATOM 1309 CG ASP B 135 14.998 24.127 -18.479 1.00 55.60 C ATOM 1310 OD1 ASP B 135 16.013 23.794 -19.126 1.00 55.07 O ATOM 1311 OD2 ASP B 135 14.607 25.310 -18.387 1.00 54.20 O ATOM 1312 H ASP B 135 16.914 22.441 -17.708 1.00 0.00 H ATOM 1313 N ASN B 136 16.073 20.729 -19.721 1.00 55.00 N ATOM 1314 CA ASN B 136 16.220 20.204 -21.073 1.00 66.32 C ATOM 1315 C ASN B 136 16.859 18.820 -21.088 1.00 66.60 C ATOM 1316 O ASN B 136 18.080 18.688 -21.002 1.00 64.63 O ATOM 1317 CB ASN B 136 17.035 21.169 -21.936 1.00 68.72 C ATOM 1318 CG ASN B 136 16.770 20.992 -23.418 1.00 73.15 C ATOM 1319 OD1 ASN B 136 16.216 19.979 -23.844 1.00 77.86 O ATOM 1320 ND2 ASN B 136 17.166 21.979 -24.213 1.00 68.28 N ATOM 1321 HD22 ASN B 136 17.631 22.817 -23.809 1.00 0.00 H ATOM 1322 HD21 ASN B 136 17.012 21.914 -25.239 1.00 0.00 H ATOM 1323 H ASN B 136 16.906 20.769 -19.100 1.00 0.00 H ATOM 1324 N LEU B 137 16.029 17.804 -21.234 1.00 64.41 N ATOM 1325 CA LEU B 137 16.505 16.444 -21.258 1.00 63.18 C ATOM 1326 C LEU B 137 16.872 16.004 -22.655 1.00 69.99 C ATOM 1327 O LEU B 137 17.379 14.932 -22.865 1.00 72.82 O ATOM 1328 CB LEU B 137 15.452 15.540 -20.671 1.00 60.91 C ATOM 1329 CG LEU B 137 15.319 15.742 -19.176 1.00 67.23 C ATOM 1330 CD1 LEU B 137 14.670 17.058 -18.854 1.00 63.43 C ATOM 1331 CD2 LEU B 137 14.554 14.612 -18.546 1.00 68.15 C ATOM 1332 H LEU B 137 15.010 17.989 -21.334 1.00 0.00 H ATOM 1333 N ASP B 138 16.623 16.870 -23.605 1.00 70.09 N ATOM 1334 CA ASP B 138 16.900 16.576 -25.006 1.00 81.17 C ATOM 1335 C ASP B 138 18.256 17.132 -25.428 1.00 81.98 C ATOM 1336 O ASP B 138 18.810 16.732 -26.452 1.00 83.50 O ATOM 1337 CB ASP B 138 15.797 17.144 -25.901 1.00 86.53 C ATOM 1338 CG ASP B 138 14.412 16.707 -25.468 1.00 91.60 C ATOM 1339 OD1 ASP B 138 14.137 15.489 -25.493 1.00 86.93 O ATOM 1340 OD2 ASP B 138 13.598 17.581 -25.102 1.00 96.17 O ATOM 1341 H ASP B 138 16.216 17.793 -23.353 1.00 0.00 H ATOM 1342 N ASP B 139 18.785 18.056 -24.633 1.00 86.30 N ATOM 1343 CA ASP B 139 20.076 18.669 -24.923 1.00 95.58 C ATOM 1344 C ASP B 139 21.217 17.865 -24.310 1.00 82.22 C ATOM 1345 O ASP B 139 21.898 18.332 -23.397 1.00 73.64 O ATOM 1346 CB ASP B 139 20.113 20.110 -24.410 1.00115.09 C ATOM 1347 CG ASP B 139 21.400 20.824 -24.772 1.00135.53 C ATOM 1348 OD1 ASP B 139 22.257 20.207 -25.438 1.00147.27 O ATOM 1349 OD2 ASP B 139 21.554 22.003 -24.391 1.00136.76 O ATOM 1350 H ASP B 139 18.265 18.350 -23.782 1.00 0.00 H ATOM 1351 N LEU B 140 21.487 16.665 -24.765 1.00 87.60 N ATOM 1352 CA LEU B 140 22.609 15.937 -24.216 1.00 80.08 C ATOM 1353 C LEU B 140 23.264 15.193 -25.373 1.00 82.94 C ATOM 1354 O LEU B 140 22.934 14.067 -25.650 1.00 91.18 O ATOM 1355 CB LEU B 140 22.158 15.023 -23.097 1.00 78.94 C ATOM 1356 CG LEU B 140 23.259 14.247 -22.402 1.00 68.06 C ATOM 1357 CD1 LEU B 140 24.154 15.147 -21.595 1.00 58.40 C ATOM 1358 CD2 LEU B 140 22.748 13.103 -21.563 1.00 67.96 C ATOM 1359 H LEU B 140 20.901 16.242 -25.512 1.00 0.00 H ATOM 1360 N ASP B 141 24.209 15.863 -26.021 1.00 76.43 N ATOM 1361 CA ASP B 141 24.903 15.454 -27.236 1.00 78.51 C ATOM 1362 C ASP B 141 25.695 14.245 -26.749 1.00 78.48 C ATOM 1363 O ASP B 141 26.777 14.388 -26.181 1.00 85.69 O ATOM 1364 CB ASP B 141 25.817 16.563 -27.760 1.00 79.00 C ATOM 1365 CG ASP B 141 26.517 16.180 -29.050 1.00 86.61 C ATOM 1366 OD1 ASP B 141 26.278 15.059 -29.547 1.00 90.18 O ATOM 1367 OD2 ASP B 141 27.305 17.000 -29.565 1.00 92.66 O ATOM 1368 H ASP B 141 24.485 16.781 -25.617 1.00 0.00 H ATOM 1369 N ILE B 142 25.128 13.079 -26.963 1.00 75.37 N ATOM 1370 CA ILE B 142 25.770 11.868 -26.558 1.00 76.12 C ATOM 1371 C ILE B 142 25.160 10.657 -27.277 1.00 83.12 C ATOM 1372 O ILE B 142 25.862 9.713 -27.641 1.00 88.67 O ATOM 1373 CB ILE B 142 25.700 11.717 -25.041 1.00 74.53 C ATOM 1374 CG1 ILE B 142 26.862 10.852 -24.558 1.00 74.70 C ATOM 1375 CG2 ILE B 142 24.330 11.240 -24.611 1.00 84.92 C ATOM 1376 CD1 ILE B 142 26.503 9.644 -23.721 1.00 84.22 C ATOM 1377 H ILE B 142 24.201 13.037 -27.433 1.00 0.00 H TER 1378 ILE B 142 ATOM 1379 N GLU B 145 25.302 5.234 -28.783 1.00101.90 N ATOM 1380 CA GLU B 145 26.502 4.417 -28.631 1.00106.70 C ATOM 1381 C GLU B 145 27.345 5.025 -27.516 1.00105.48 C ATOM 1382 O GLU B 145 27.803 4.322 -26.616 1.00 98.51 O ATOM 1383 CB GLU B 145 27.338 4.321 -29.917 1.00111.48 C ATOM 1384 CG GLU B 145 26.584 3.818 -31.161 1.00117.72 C ATOM 1385 CD GLU B 145 26.338 2.310 -31.157 1.00127.64 C ATOM 1386 OE1 GLU B 145 27.226 1.552 -31.616 1.00134.88 O ATOM 1387 OE2 GLU B 145 25.249 1.888 -30.706 1.00127.06 O ATOM 1388 HN3 GLU B 145 25.575 6.207 -29.028 1.00 0.00 H ATOM 1389 HN2 GLU B 145 24.770 5.236 -27.889 1.00 0.00 H ATOM 1390 HN1 GLU B 145 24.709 4.839 -29.540 1.00 0.00 H ATOM 1391 N GLU B 146 27.595 6.328 -27.585 1.00105.34 N ATOM 1392 CA GLU B 146 28.431 7.006 -26.585 1.00107.60 C ATOM 1393 C GLU B 146 27.988 6.687 -25.173 1.00103.72 C ATOM 1394 O GLU B 146 28.777 6.402 -24.291 1.00 97.44 O ATOM 1395 CB GLU B 146 28.388 8.512 -26.791 1.00108.99 C ATOM 1396 CG GLU B 146 28.992 8.982 -28.097 1.00122.51 C ATOM 1397 CD GLU B 146 29.630 7.844 -28.853 1.00120.72 C ATOM 1398 OE1 GLU B 146 30.620 7.283 -28.356 1.00109.83 O ATOM 1399 OE2 GLU B 146 29.143 7.518 -29.946 1.00126.20 O ATOM 1400 H GLU B 146 27.189 6.882 -28.366 1.00 0.00 H ATOM 1401 N ILE B 147 26.695 6.740 -24.972 1.00 97.26 N ATOM 1402 CA ILE B 147 26.154 6.417 -23.660 1.00 87.09 C ATOM 1403 C ILE B 147 26.792 5.161 -23.089 1.00 87.12 C ATOM 1404 O ILE B 147 27.124 5.104 -21.906 1.00 81.93 O ATOM 1405 CB ILE B 147 24.641 6.217 -23.729 1.00 82.16 C ATOM 1406 CG1 ILE B 147 23.981 7.504 -24.201 1.00 82.82 C ATOM 1407 CG2 ILE B 147 24.091 5.774 -22.383 1.00 80.39 C ATOM 1408 CD1 ILE B 147 22.531 7.363 -24.488 1.00 85.68 C ATOM 1409 H ILE B 147 26.057 7.012 -25.747 1.00 0.00 H ATOM 1410 N ASP B 148 26.980 4.157 -23.937 1.00 95.75 N ATOM 1411 CA ASP B 148 27.482 2.871 -23.475 1.00100.96 C ATOM 1412 C ASP B 148 28.907 2.960 -22.921 1.00 99.99 C ATOM 1413 O ASP B 148 29.277 2.193 -22.029 1.00 95.46 O ATOM 1414 CB ASP B 148 27.422 1.843 -24.603 1.00112.91 C ATOM 1415 CG ASP B 148 27.887 0.474 -24.157 1.00128.65 C ATOM 1416 OD1 ASP B 148 27.147 -0.179 -23.393 1.00136.04 O ATOM 1417 OD2 ASP B 148 28.993 0.054 -24.560 1.00135.27 O ATOM 1418 H ASP B 148 26.766 4.291 -24.946 1.00 0.00 H ATOM 1419 N LEU B 149 29.701 3.890 -23.449 1.00101.06 N ATOM 1420 CA LEU B 149 31.048 4.121 -22.930 1.00101.13 C ATOM 1421 C LEU B 149 30.940 4.693 -21.519 1.00 99.13 C ATOM 1422 O LEU B 149 31.722 4.343 -20.631 1.00 99.54 O ATOM 1423 CB LEU B 149 31.842 5.066 -23.845 1.00 95.56 C ATOM 1424 CG LEU B 149 33.377 5.076 -23.770 1.00 93.30 C ATOM 1425 CD1 LEU B 149 33.977 5.540 -25.091 1.00 98.59 C ATOM 1426 CD2 LEU B 149 33.909 5.946 -22.640 1.00 87.01 C ATOM 1427 H LEU B 149 29.356 4.463 -24.246 1.00 0.00 H ATOM 1428 N LEU B 150 29.944 5.509 -21.289 1.00 97.73 N ATOM 1429 CA LEU B 150 29.830 6.023 -19.966 1.00 96.13 C ATOM 1430 C LEU B 150 29.372 4.895 -19.071 1.00101.34 C ATOM 1431 O LEU B 150 29.859 4.724 -17.973 1.00102.90 O ATOM 1432 CB LEU B 150 28.848 7.190 -19.940 1.00 90.37 C ATOM 1433 CG LEU B 150 29.390 8.426 -20.639 1.00 89.32 C ATOM 1434 CD1 LEU B 150 28.345 9.504 -20.794 1.00 86.95 C ATOM 1435 CD2 LEU B 150 30.576 8.950 -19.873 1.00 86.12 C ATOM 1436 H LEU B 150 29.269 5.770 -22.036 1.00 0.00 H ATOM 1437 N THR B 151 28.440 4.108 -19.561 1.00102.94 N ATOM 1438 CA THR B 151 27.851 3.054 -18.737 1.00105.06 C ATOM 1439 C THR B 151 28.933 2.126 -18.209 1.00106.16 C ATOM 1440 O THR B 151 28.736 1.406 -17.233 1.00103.07 O ATOM 1441 CB THR B 151 26.808 2.238 -19.521 1.00116.93 C ATOM 1442 OG1 THR B 151 25.749 3.106 -19.941 1.00119.37 O ATOM 1443 CG2 THR B 151 26.228 1.113 -18.660 1.00118.13 C ATOM 1444 HG1 THR B 151 26.118 3.818 -20.521 1.00 0.00 H ATOM 1445 H THR B 151 28.119 4.236 -20.542 1.00 0.00 H ATOM 1446 N GLU B 152 30.087 2.150 -18.857 1.00113.45 N ATOM 1447 CA GLU B 152 31.195 1.322 -18.421 1.00123.42 C ATOM 1448 C GLU B 152 32.147 2.117 -17.535 1.00117.56 C ATOM 1449 O GLU B 152 32.719 1.580 -16.586 1.00120.15 O ATOM 1450 CB GLU B 152 31.934 0.747 -19.627 1.00129.98 C ATOM 1451 CG GLU B 152 31.033 -0.036 -20.559 1.00138.55 C ATOM 1452 CD GLU B 152 31.741 -0.451 -21.832 1.00145.76 C ATOM 1453 OE1 GLU B 152 32.966 -0.688 -21.776 1.00149.32 O ATOM 1454 OE2 GLU B 152 31.077 -0.535 -22.889 1.00146.72 O ATOM 1455 H GLU B 152 30.200 2.768 -19.686 1.00 0.00 H ATOM 1456 N GLU B 153 32.296 3.404 -17.832 1.00109.20 N ATOM 1457 CA GLU B 153 33.269 4.237 -17.125 1.00107.32 C ATOM 1458 C GLU B 153 32.728 4.861 -15.822 1.00103.14 C ATOM 1459 O GLU B 153 33.374 4.777 -14.776 1.00101.92 O ATOM 1460 CB GLU B 153 33.789 5.334 -18.064 1.00106.15 C ATOM 1461 CG GLU B 153 34.558 4.811 -19.279 1.00111.14 C ATOM 1462 CD GLU B 153 35.977 4.370 -18.952 1.00114.05 C ATOM 1463 OE1 GLU B 153 36.786 5.217 -18.515 1.00110.08 O ATOM 1464 OE2 GLU B 153 36.284 3.174 -19.134 1.00120.66 O ATOM 1465 H GLU B 153 31.710 3.826 -18.580 1.00 0.00 H ATOM 1466 N LEU B 154 31.550 5.473 -15.882 1.00102.06 N ATOM 1467 CA LEU B 154 30.989 6.172 -14.723 1.00 95.64 C ATOM 1468 C LEU B 154 30.535 5.231 -13.607 1.00 98.20 C ATOM 1469 O LEU B 154 29.551 4.504 -13.760 1.00107.90 O ATOM 1470 CB LEU B 154 29.808 7.046 -15.153 1.00 88.79 C ATOM 1471 CG LEU B 154 30.078 8.504 -15.524 1.00 87.57 C ATOM 1472 CD1 LEU B 154 31.261 8.633 -16.474 1.00 89.58 C ATOM 1473 CD2 LEU B 154 28.822 9.118 -16.130 1.00 84.80 C ATOM 1474 H LEU B 154 31.014 5.455 -16.773 1.00 0.00 H ATOM 1475 N SER B 155 31.244 5.248 -12.484 1.00 89.85 N ATOM 1476 CA SER B 155 30.789 4.522 -11.301 1.00 89.96 C ATOM 1477 C SER B 155 30.021 5.472 -10.374 1.00 92.78 C ATOM 1478 O SER B 155 29.807 5.190 -9.192 1.00100.50 O ATOM 1479 CB SER B 155 31.967 3.876 -10.571 1.00 90.02 C ATOM 1480 OG SER B 155 32.577 2.876 -11.368 1.00102.34 O ATOM 1481 HG SER B 155 33.334 2.476 -10.871 1.00 0.00 H ATOM 1482 H SER B 155 32.134 5.785 -12.447 1.00 0.00 H ATOM 1483 N THR B 156 29.606 6.605 -10.932 1.00 84.39 N ATOM 1484 CA THR B 156 28.808 7.588 -10.215 1.00 74.27 C ATOM 1485 C THR B 156 27.364 7.579 -10.695 1.00 71.91 C ATOM 1486 O THR B 156 27.103 7.838 -11.868 1.00 71.66 O ATOM 1487 CB THR B 156 29.368 9.013 -10.394 1.00 71.23 C ATOM 1488 OG1 THR B 156 30.699 9.080 -9.871 1.00 79.35 O ATOM 1489 CG2 THR B 156 28.501 10.017 -9.666 1.00 64.61 C ATOM 1490 HG1 THR B 156 31.053 9.997 -9.989 1.00 0.00 H ATOM 1491 H THR B 156 29.862 6.797 -11.922 1.00 0.00 H ATOM 1492 N ARG B 157 26.429 7.353 -9.783 1.00 64.57 N ATOM 1493 CA ARG B 157 25.007 7.375 -10.082 1.00 58.69 C ATOM 1494 C ARG B 157 24.565 8.778 -10.393 1.00 56.29 C ATOM 1495 O ARG B 157 25.197 9.700 -9.996 1.00 51.65 O ATOM 1496 CB ARG B 157 24.193 6.782 -8.963 1.00 58.49 C ATOM 1497 CG ARG B 157 23.951 7.634 -7.746 1.00 55.36 C ATOM 1498 CD ARG B 157 22.690 7.129 -7.079 1.00 65.64 C ATOM 1499 NE ARG B 157 22.774 7.047 -5.639 1.00 74.31 N ATOM 1500 CZ ARG B 157 21.729 7.068 -4.819 1.00 80.45 C ATOM 1501 NH1 ARG B 157 21.926 7.000 -3.520 1.00 77.36 N ATOM 1502 NH2 ARG B 157 20.493 7.169 -5.277 1.00 83.55 N ATOM 1503 HE ARG B 157 23.720 6.966 -5.214 1.00 0.00 H ATOM 1504 HH12 ARG B 157 21.115 7.016 -2.869 1.00 0.00 H ATOM 1505 HH11 ARG B 157 22.893 6.931 -3.144 1.00 0.00 H ATOM 1506 HH22 ARG B 157 19.692 7.183 -4.614 1.00 0.00 H ATOM 1507 HH21 ARG B 157 20.321 7.234 -6.301 1.00 0.00 H ATOM 1508 H ARG B 157 26.727 7.150 -8.807 1.00 0.00 H ATOM 1509 N ILE B 158 23.482 8.935 -11.122 1.00 63.23 N ATOM 1510 CA ILE B 158 23.088 10.256 -11.561 1.00 58.79 C ATOM 1511 C ILE B 158 21.666 10.527 -11.140 1.00 61.85 C ATOM 1512 O ILE B 158 20.767 9.765 -11.486 1.00 59.77 O ATOM 1513 CB ILE B 158 23.212 10.410 -13.097 1.00 56.71 C ATOM 1514 CG1 ILE B 158 24.683 10.516 -13.515 1.00 53.21 C ATOM 1515 CG2 ILE B 158 22.442 11.624 -13.578 1.00 50.77 C ATOM 1516 CD1 ILE B 158 24.897 10.572 -15.026 1.00 56.07 C ATOM 1517 H ILE B 158 22.908 8.108 -11.383 1.00 0.00 H ATOM 1518 N ILE B 159 21.458 11.610 -10.392 1.00 57.91 N ATOM 1519 CA ILE B 159 20.103 12.026 -10.050 1.00 53.77 C ATOM 1520 C ILE B 159 19.701 13.253 -10.856 1.00 52.78 C ATOM 1521 O ILE B 159 20.204 14.359 -10.657 1.00 52.26 O ATOM 1522 CB ILE B 159 19.958 12.304 -8.559 1.00 48.59 C ATOM 1523 CG1 ILE B 159 20.285 11.028 -7.784 1.00 47.29 C ATOM 1524 CG2 ILE B 159 18.552 12.811 -8.253 1.00 42.60 C ATOM 1525 CD1 ILE B 159 19.426 9.852 -8.177 1.00 55.15 C ATOM 1526 H ILE B 159 22.269 12.163 -10.049 1.00 0.00 H ATOM 1527 N LEU B 160 18.799 13.057 -11.783 1.00 53.49 N ATOM 1528 CA LEU B 160 18.398 14.131 -12.627 1.00 46.33 C ATOM 1529 C LEU B 160 17.199 14.825 -12.111 1.00 46.94 C ATOM 1530 O LEU B 160 16.271 14.223 -11.697 1.00 52.14 O ATOM 1531 CB LEU B 160 18.158 13.620 -14.025 1.00 49.39 C ATOM 1532 CG LEU B 160 17.827 14.615 -15.105 1.00 50.70 C ATOM 1533 CD1 LEU B 160 19.055 15.419 -15.399 1.00 45.58 C ATOM 1534 CD2 LEU B 160 17.469 13.832 -16.333 1.00 63.28 C ATOM 1535 H LEU B 160 18.374 12.115 -11.904 1.00 0.00 H ATOM 1536 N ILE B 161 17.247 16.130 -12.120 1.00 36.60 N ATOM 1537 CA ILE B 161 16.136 16.899 -11.653 1.00 41.03 C ATOM 1538 C ILE B 161 15.646 17.753 -12.777 1.00 45.91 C ATOM 1539 O ILE B 161 16.294 18.646 -13.206 1.00 45.29 O ATOM 1540 CB ILE B 161 16.468 17.706 -10.399 1.00 41.46 C ATOM 1541 CG1 ILE B 161 16.601 16.744 -9.250 1.00 41.11 C ATOM 1542 CG2 ILE B 161 15.380 18.695 -10.098 1.00 31.38 C ATOM 1543 CD1 ILE B 161 17.141 17.332 -7.996 1.00 41.96 C ATOM 1544 H ILE B 161 18.099 16.613 -12.469 1.00 0.00 H ATOM 1545 N ASP B 162 14.460 17.414 -13.233 1.00 52.56 N ATOM 1546 CA ASP B 162 13.799 18.060 -14.333 1.00 53.59 C ATOM 1547 C ASP B 162 13.042 19.257 -13.872 1.00 51.57 C ATOM 1548 O ASP B 162 12.099 19.150 -13.159 1.00 55.84 O ATOM 1549 CB ASP B 162 12.856 17.049 -14.942 1.00 64.19 C ATOM 1550 CG ASP B 162 12.406 17.403 -16.319 1.00 67.94 C ATOM 1551 OD1 ASP B 162 12.365 18.574 -16.681 1.00 67.62 O ATOM 1552 OD2 ASP B 162 12.055 16.476 -17.037 1.00 69.62 O ATOM 1553 H ASP B 162 13.968 16.626 -12.766 1.00 0.00 H ATOM 1554 N CYS B 163 13.488 20.431 -14.307 1.00 51.44 N ATOM 1555 CA CYS B 163 12.841 21.683 -13.932 1.00 52.98 C ATOM 1556 C CYS B 163 12.067 22.276 -15.105 1.00 66.18 C ATOM 1557 O CYS B 163 12.209 23.458 -15.420 1.00 70.79 O ATOM 1558 CB CYS B 163 13.874 22.688 -13.421 1.00 45.45 C ATOM 1559 SG CYS B 163 15.140 21.976 -12.344 1.00 59.45 S ATOM 1560 H CYS B 163 14.320 20.457 -14.931 1.00 0.00 H ATOM 1561 N GLY B 164 11.248 21.449 -15.746 1.00 70.22 N ATOM 1562 CA GLY B 164 10.455 21.888 -16.879 1.00 84.40 C ATOM 1563 C GLY B 164 9.012 21.434 -16.788 1.00 99.38 C ATOM 1564 O GLY B 164 8.631 20.422 -17.377 1.00109.73 O ATOM 1565 H GLY B 164 11.173 20.462 -15.427 1.00 0.00 H ATOM 1566 N LYS B 165 8.206 22.185 -16.045 1.00 99.67 N ATOM 1567 CA LYS B 165 6.795 21.858 -15.875 1.00102.69 C ATOM 1568 C LYS B 165 6.604 20.373 -15.587 1.00 99.44 C ATOM 1569 O LYS B 165 5.477 19.900 -15.440 1.00 90.95 O ATOM 1570 CB LYS B 165 5.998 22.260 -17.118 1.00103.02 C ATOM 1571 CG LYS B 165 5.869 23.761 -17.314 1.00 96.77 C ATOM 1572 CD LYS B 165 5.056 24.088 -18.556 1.00 97.48 C ATOM 1573 CE LYS B 165 4.793 25.581 -18.668 1.00 94.07 C ATOM 1574 NZ LYS B 165 4.108 25.930 -19.943 1.00 97.23 N ATOM 1575 HZ1 LYS B 165 4.704 25.643 -20.745 1.00 0.00 H ATOM 1576 HZ2 LYS B 165 3.196 25.433 -19.992 1.00 0.00 H ATOM 1577 HZ3 LYS B 165 3.948 26.957 -19.979 1.00 0.00 H ATOM 1578 H LYS B 165 8.591 23.028 -15.573 1.00 0.00 H TER 1579 LYS B 165 ATOM 1580 N SER B 174 14.728 9.880 -24.348 1.00 89.04 N ATOM 1581 CA SER B 174 15.653 10.969 -24.659 1.00 80.92 C ATOM 1582 C SER B 174 17.082 10.607 -24.276 1.00 75.34 C ATOM 1583 O SER B 174 17.328 9.611 -23.590 1.00 76.11 O ATOM 1584 CB SER B 174 15.232 12.252 -23.948 1.00 72.75 C ATOM 1585 OG SER B 174 15.442 12.157 -22.544 1.00 68.62 O ATOM 1586 HG SER B 174 15.160 13.002 -22.111 1.00 0.00 H ATOM 1587 HN3 SER B 174 14.758 9.682 -23.327 1.00 0.00 H ATOM 1588 HN2 SER B 174 15.007 9.028 -24.876 1.00 0.00 H ATOM 1589 HN1 SER B 174 13.763 10.158 -24.621 1.00 0.00 H ATOM 1590 N ASN B 175 18.021 11.424 -24.695 1.00 72.85 N ATOM 1591 CA ASN B 175 19.406 11.176 -24.362 1.00 78.30 C ATOM 1592 C ASN B 175 19.585 11.080 -22.861 1.00 72.45 C ATOM 1593 O ASN B 175 20.162 10.138 -22.366 1.00 74.08 O ATOM 1594 CB ASN B 175 20.281 12.272 -24.935 1.00 75.50 C ATOM 1595 CG ASN B 175 20.243 12.304 -26.436 1.00 78.09 C ATOM 1596 OD1 ASN B 175 20.989 11.602 -27.083 1.00 77.76 O ATOM 1597 ND2 ASN B 175 19.381 13.120 -26.991 1.00 80.25 N ATOM 1598 HD22 ASN B 175 18.760 13.704 -26.395 1.00 0.00 H ATOM 1599 HD21 ASN B 175 19.318 13.184 -28.027 1.00 0.00 H ATOM 1600 H ASN B 175 17.767 12.253 -25.269 1.00 0.00 H ATOM 1601 N TRP B 176 19.047 12.039 -22.125 1.00 62.33 N ATOM 1602 CA TRP B 176 19.131 12.020 -20.668 1.00 66.72 C ATOM 1603 C TRP B 176 18.468 10.784 -20.086 1.00 70.15 C ATOM 1604 O TRP B 176 19.026 10.133 -19.238 1.00 67.83 O ATOM 1605 CB TRP B 176 18.499 13.283 -20.066 1.00 60.18 C ATOM 1606 CG TRP B 176 19.460 14.405 -19.771 1.00 57.98 C ATOM 1607 CD1 TRP B 176 19.399 15.671 -20.237 1.00 56.37 C ATOM 1608 CD2 TRP B 176 20.604 14.351 -18.937 1.00 56.76 C ATOM 1609 NE1 TRP B 176 20.431 16.400 -19.771 1.00 51.75 N ATOM 1610 CE2 TRP B 176 21.187 15.611 -18.956 1.00 56.63 C ATOM 1611 CE3 TRP B 176 21.191 13.357 -18.170 1.00 51.92 C ATOM 1612 CZ2 TRP B 176 22.321 15.902 -18.233 1.00 49.41 C ATOM 1613 CZ3 TRP B 176 22.306 13.645 -17.482 1.00 45.42 C ATOM 1614 CH2 TRP B 176 22.861 14.903 -17.505 1.00 43.54 C ATOM 1615 HE1 TRP B 176 20.620 17.398 -19.995 1.00 0.00 H ATOM 1616 H TRP B 176 18.553 12.824 -22.595 1.00 0.00 H ATOM 1617 N LEU B 177 17.269 10.463 -20.544 1.00 65.30 N ATOM 1618 CA LEU B 177 16.554 9.281 -20.063 1.00 68.94 C ATOM 1619 C LEU B 177 17.375 8.017 -20.303 1.00 76.63 C ATOM 1620 O LEU B 177 17.500 7.164 -19.423 1.00 77.91 O ATOM 1621 CB LEU B 177 15.194 9.152 -20.757 1.00 73.41 C ATOM 1622 CG LEU B 177 14.298 7.941 -20.456 1.00 78.45 C ATOM 1623 CD1 LEU B 177 13.882 7.929 -18.985 1.00 75.67 C ATOM 1624 CD2 LEU B 177 13.077 7.849 -21.362 1.00 86.42 C ATOM 1625 H LEU B 177 16.823 11.066 -21.264 1.00 0.00 H ATOM 1626 N LYS B 178 17.921 7.902 -21.511 1.00 78.71 N ATOM 1627 CA LYS B 178 18.773 6.774 -21.867 1.00 84.03 C ATOM 1628 C LYS B 178 19.948 6.659 -20.907 1.00 82.19 C ATOM 1629 O LYS B 178 20.154 5.617 -20.281 1.00 81.95 O ATOM 1630 CB LYS B 178 19.294 6.910 -23.298 1.00 83.16 C ATOM 1631 CG LYS B 178 18.265 6.680 -24.385 1.00 87.51 C ATOM 1632 CD LYS B 178 18.914 6.838 -25.746 1.00 94.99 C ATOM 1633 CE LYS B 178 17.935 6.558 -26.865 1.00102.06 C ATOM 1634 NZ LYS B 178 18.593 6.678 -28.193 1.00105.32 N ATOM 1635 HZ1 LYS B 178 18.965 7.642 -28.308 1.00 0.00 H ATOM 1636 HZ2 LYS B 178 19.374 5.994 -28.254 1.00 0.00 H ATOM 1637 HZ3 LYS B 178 17.899 6.481 -28.942 1.00 0.00 H ATOM 1638 H LYS B 178 17.735 8.638 -22.222 1.00 0.00 H ATOM 1639 N LEU B 179 20.711 7.742 -20.790 1.00 77.66 N ATOM 1640 CA LEU B 179 21.860 7.775 -19.893 1.00 71.87 C ATOM 1641 C LEU B 179 21.456 7.367 -18.483 1.00 71.67 C ATOM 1642 O LEU B 179 22.208 6.691 -17.793 1.00 77.07 O ATOM 1643 CB LEU B 179 22.490 9.166 -19.871 1.00 76.57 C ATOM 1644 CG LEU B 179 23.671 9.410 -18.927 1.00 79.58 C ATOM 1645 CD1 LEU B 179 24.842 8.521 -19.331 1.00 81.75 C ATOM 1646 CD2 LEU B 179 24.091 10.875 -18.854 1.00 75.92 C ATOM 1647 H LEU B 179 20.482 8.586 -21.352 1.00 0.00 H ATOM 1648 N VAL B 180 20.286 7.784 -18.065 1.00 64.90 N ATOM 1649 CA VAL B 180 19.833 7.471 -16.740 1.00 68.62 C ATOM 1650 C VAL B 180 19.676 5.985 -16.557 1.00 72.77 C ATOM 1651 O VAL B 180 20.249 5.404 -15.662 1.00 68.63 O ATOM 1652 CB VAL B 180 18.519 8.223 -16.437 1.00 71.46 C ATOM 1653 CG1 VAL B 180 17.780 7.649 -15.253 1.00 71.76 C ATOM 1654 CG2 VAL B 180 18.814 9.674 -16.172 1.00 63.24 C ATOM 1655 H VAL B 180 19.682 8.346 -18.698 1.00 0.00 H ATOM 1656 N GLU B 181 18.888 5.377 -17.426 1.00 77.77 N ATOM 1657 CA GLU B 181 18.604 3.953 -17.330 1.00 85.05 C ATOM 1658 C GLU B 181 19.880 3.125 -17.493 1.00 87.22 C ATOM 1659 O GLU B 181 20.003 2.036 -16.922 1.00 89.93 O ATOM 1660 CB GLU B 181 17.556 3.566 -18.366 1.00 88.37 C ATOM 1661 CG GLU B 181 16.258 4.332 -18.187 1.00 88.88 C ATOM 1662 CD GLU B 181 15.323 4.182 -19.361 1.00100.18 C ATOM 1663 OE1 GLU B 181 14.101 4.348 -19.167 1.00103.29 O ATOM 1664 OE2 GLU B 181 15.811 3.907 -20.478 1.00104.73 O ATOM 1665 H GLU B 181 18.461 5.929 -18.197 1.00 0.00 H ATOM 1666 N ALA B 182 20.832 3.660 -18.254 1.00 86.45 N ATOM 1667 CA ALA B 182 22.151 3.046 -18.396 1.00 83.08 C ATOM 1668 C ALA B 182 22.904 2.978 -17.064 1.00 86.88 C ATOM 1669 O ALA B 182 23.229 1.895 -16.606 1.00 93.10 O ATOM 1670 CB ALA B 182 22.974 3.800 -19.425 1.00 81.67 C ATOM 1671 H ALA B 182 20.631 4.544 -18.764 1.00 0.00 H ATOM 1672 N ILE B 183 23.188 4.120 -16.438 1.00 73.80 N ATOM 1673 CA ILE B 183 23.889 4.098 -15.150 1.00 80.72 C ATOM 1674 C ILE B 183 22.976 3.557 -14.052 1.00 84.24 C ATOM 1675 O ILE B 183 21.812 3.947 -13.961 1.00 81.07 O ATOM 1676 CB ILE B 183 24.402 5.493 -14.735 1.00 70.99 C ATOM 1677 CG1 ILE B 183 25.214 6.126 -15.862 1.00 69.89 C ATOM 1678 CG2 ILE B 183 25.247 5.404 -13.466 1.00 67.78 C ATOM 1679 CD1 ILE B 183 26.360 5.268 -16.320 1.00 75.46 C ATOM 1680 H ILE B 183 22.912 5.028 -16.864 1.00 0.00 H ATOM 1681 N PRO B 184 23.498 2.629 -13.233 1.00 91.10 N ATOM 1682 CA PRO B 184 22.748 2.045 -12.113 1.00 92.69 C ATOM 1683 C PRO B 184 22.440 3.037 -10.994 1.00 91.23 C ATOM 1684 O PRO B 184 23.210 3.972 -10.773 1.00 82.97 O ATOM 1685 CB PRO B 184 23.683 0.942 -11.603 1.00 90.82 C ATOM 1686 CG PRO B 184 25.031 1.262 -12.153 1.00 88.57 C ATOM 1687 CD PRO B 184 24.774 1.929 -13.463 1.00 92.98 C ATOM 1688 N ASN B 185 21.320 2.813 -10.307 1.00 94.85 N ATOM 1689 CA ASN B 185 20.864 3.634 -9.181 1.00 84.19 C ATOM 1690 C ASN B 185 20.491 5.050 -9.569 1.00 78.79 C ATOM 1691 O ASN B 185 20.325 5.909 -8.709 1.00 77.64 O ATOM 1692 CB ASN B 185 21.921 3.697 -8.086 1.00 85.15 C ATOM 1693 CG ASN B 185 22.276 2.343 -7.549 1.00 98.55 C ATOM 1694 OD1 ASN B 185 21.454 1.691 -6.908 1.00105.28 O ATOM 1695 ND2 ASN B 185 23.510 1.906 -7.798 1.00100.76 N ATOM 1696 HD22 ASN B 185 24.170 2.495 -8.345 1.00 0.00 H ATOM 1697 HD21 ASN B 185 23.813 0.976 -7.445 1.00 0.00 H ATOM 1698 H ASN B 185 20.731 2.003 -10.588 1.00 0.00 H ATOM 1699 N SER B 186 20.359 5.304 -10.862 1.00 71.90 N ATOM 1700 CA SER B 186 20.026 6.645 -11.311 1.00 66.02 C ATOM 1701 C SER B 186 18.519 6.852 -11.264 1.00 73.52 C ATOM 1702 O SER B 186 17.763 5.897 -11.175 1.00 89.65 O ATOM 1703 CB SER B 186 20.582 6.883 -12.710 1.00 60.10 C ATOM 1704 OG SER B 186 21.972 6.590 -12.724 1.00 61.26 O ATOM 1705 HG SER B 186 22.111 5.643 -12.470 1.00 0.00 H ATOM 1706 H SER B 186 20.494 4.542 -11.557 1.00 0.00 H ATOM 1707 N ARG B 187 18.079 8.099 -11.305 1.00 72.17 N ATOM 1708 CA ARG B 187 16.670 8.395 -11.121 1.00 73.38 C ATOM 1709 C ARG B 187 16.383 9.759 -11.714 1.00 65.74 C ATOM 1710 O ARG B 187 17.304 10.492 -12.043 1.00 66.75 O ATOM 1711 CB ARG B 187 16.312 8.348 -9.634 1.00 78.48 C ATOM 1712 CG ARG B 187 14.837 8.159 -9.300 1.00 89.58 C ATOM 1713 CD ARG B 187 14.694 7.552 -7.896 1.00 98.46 C ATOM 1714 NE ARG B 187 13.339 7.658 -7.342 1.00107.13 N ATOM 1715 CZ ARG B 187 12.975 7.203 -6.140 1.00111.65 C ATOM 1716 NH1 ARG B 187 13.864 6.612 -5.350 1.00112.51 N ATOM 1717 NH2 ARG B 187 11.719 7.340 -5.719 1.00112.42 N ATOM 1718 HE ARG B 187 12.612 8.119 -7.926 1.00 0.00 H ATOM 1719 HH12 ARG B 187 13.576 6.259 -4.415 1.00 0.00 H ATOM 1720 HH11 ARG B 187 14.849 6.502 -5.666 1.00 0.00 H ATOM 1721 HH22 ARG B 187 11.443 6.983 -4.782 1.00 0.00 H ATOM 1722 HH21 ARG B 187 11.014 7.804 -6.327 1.00 0.00 H ATOM 1723 H ARG B 187 18.750 8.876 -11.471 1.00 0.00 H ATOM 1724 N ILE B 188 15.108 10.091 -11.863 1.00 59.61 N ATOM 1725 CA ILE B 188 14.697 11.392 -12.370 1.00 54.28 C ATOM 1726 C ILE B 188 13.548 11.914 -11.522 1.00 58.61 C ATOM 1727 O ILE B 188 12.571 11.203 -11.307 1.00 66.14 O ATOM 1728 CB ILE B 188 14.243 11.328 -13.841 1.00 59.92 C ATOM 1729 CG1 ILE B 188 15.351 10.777 -14.737 1.00 61.79 C ATOM 1730 CG2 ILE B 188 13.802 12.701 -14.332 1.00 59.39 C ATOM 1731 CD1 ILE B 188 14.954 10.674 -16.183 1.00 61.16 C ATOM 1732 H ILE B 188 14.376 9.397 -11.609 1.00 0.00 H ATOM 1733 N TYR B 189 13.662 13.139 -11.023 1.00 50.40 N ATOM 1734 CA TYR B 189 12.566 13.738 -10.286 1.00 50.59 C ATOM 1735 C TYR B 189 12.119 15.027 -10.915 1.00 55.66 C ATOM 1736 O TYR B 189 12.866 15.664 -11.657 1.00 60.39 O ATOM 1737 CB TYR B 189 12.951 14.035 -8.846 1.00 49.40 C ATOM 1738 CG TYR B 189 13.415 12.852 -8.042 1.00 59.41 C ATOM 1739 CD1 TYR B 189 12.508 12.031 -7.389 1.00 60.96 C ATOM 1740 CD2 TYR B 189 14.770 12.585 -7.895 1.00 62.79 C ATOM 1741 CE1 TYR B 189 12.941 10.961 -6.633 1.00 70.31 C ATOM 1742 CE2 TYR B 189 15.213 11.528 -7.144 1.00 63.49 C ATOM 1743 CZ TYR B 189 14.301 10.716 -6.515 1.00 74.03 C ATOM 1744 OH TYR B 189 14.757 9.660 -5.757 1.00 82.20 O ATOM 1745 HH TYR B 189 13.985 9.174 -5.372 1.00 0.00 H ATOM 1746 H TYR B 189 14.544 13.673 -11.162 1.00 0.00 H ATOM 1747 N ASN B 190 10.903 15.423 -10.578 1.00 56.83 N ATOM 1748 CA ASN B 190 10.379 16.720 -10.941 1.00 64.40 C ATOM 1749 C ASN B 190 10.781 17.729 -9.864 1.00 70.34 C ATOM 1750 O ASN B 190 11.082 17.339 -8.733 1.00 70.44 O ATOM 1751 CB ASN B 190 8.858 16.643 -11.085 1.00 69.82 C ATOM 1752 CG ASN B 190 8.311 17.653 -12.061 1.00 81.23 C ATOM 1753 OD1 ASN B 190 9.031 18.539 -12.524 1.00 84.29 O ATOM 1754 ND2 ASN B 190 7.016 17.548 -12.361 1.00 90.87 N ATOM 1755 HD22 ASN B 190 6.446 16.783 -11.946 1.00 0.00 H ATOM 1756 HD21 ASN B 190 6.576 18.231 -13.010 1.00 0.00 H ATOM 1757 H ASN B 190 10.300 14.776 -10.030 1.00 0.00 H ATOM 1758 N MET B 191 10.720 19.005 -10.125 1.00 77.88 N ATOM 1759 CA MET B 191 11.010 19.912 -9.061 1.00 80.82 C ATOM 1760 C MET B 191 9.808 19.819 -8.158 1.00 79.59 C ATOM 1761 O MET B 191 9.902 19.899 -6.955 1.00 77.41 O ATOM 1762 CB MET B 191 11.070 21.316 -9.587 1.00 85.35 C ATOM 1763 CG MET B 191 12.433 21.727 -10.045 1.00 84.88 C ATOM 1764 SD MET B 191 12.847 23.218 -9.188 1.00 76.71 S ATOM 1765 CE MET B 191 14.218 22.639 -8.238 1.00 52.65 C ATOM 1766 H MET B 191 10.469 19.350 -11.074 1.00 0.00 H ATOM 1767 N ASN B 192 8.656 19.649 -8.778 1.00 80.05 N ATOM 1768 CA ASN B 192 7.407 19.564 -8.058 1.00 74.79 C ATOM 1769 C ASN B 192 7.341 18.483 -6.998 1.00 71.63 C ATOM 1770 O ASN B 192 6.439 18.480 -6.208 1.00 82.19 O ATOM 1771 CB ASN B 192 6.255 19.575 -9.049 1.00 76.43 C ATOM 1772 CG ASN B 192 5.971 20.944 -9.599 1.00 76.38 C ATOM 1773 OD1 ASN B 192 6.708 21.455 -10.426 1.00 79.36 O ATOM 1774 ND2 ASN B 192 4.891 21.543 -9.147 1.00 71.25 N ATOM 1775 HD22 ASN B 192 4.291 21.070 -8.442 1.00 0.00 H ATOM 1776 HD21 ASN B 192 4.637 22.490 -9.495 1.00 0.00 H ATOM 1777 H ASN B 192 8.647 19.574 -9.815 1.00 0.00 H ATOM 1778 N GLU B 193 8.285 17.572 -6.980 1.00 62.25 N ATOM 1779 CA GLU B 193 8.285 16.537 -5.989 1.00 61.10 C ATOM 1780 C GLU B 193 9.508 16.399 -5.139 1.00 63.49 C ATOM 1781 O GLU B 193 9.828 15.322 -4.691 1.00 66.84 O ATOM 1782 CB GLU B 193 8.015 15.276 -6.805 1.00 67.63 C ATOM 1783 CG GLU B 193 9.117 14.767 -7.698 1.00 67.83 C ATOM 1784 CD GLU B 193 8.596 13.834 -8.778 1.00 81.57 C ATOM 1785 OE1 GLU B 193 9.217 12.788 -9.038 1.00 81.49 O ATOM 1786 OE2 GLU B 193 7.563 14.156 -9.384 1.00 86.89 O ATOM 1787 H GLU B 193 9.042 17.601 -7.693 1.00 0.00 H ATOM 1788 N LEU B 194 10.182 17.517 -4.918 1.00 63.78 N ATOM 1789 CA LEU B 194 11.391 17.561 -4.140 1.00 60.84 C ATOM 1790 C LEU B 194 11.076 17.778 -2.702 1.00 64.95 C ATOM 1791 O LEU B 194 11.700 17.233 -1.823 1.00 61.02 O ATOM 1792 CB LEU B 194 12.240 18.724 -4.594 1.00 59.04 C ATOM 1793 CG LEU B 194 12.814 18.730 -5.990 1.00 66.37 C ATOM 1794 CD1 LEU B 194 13.497 20.053 -6.258 1.00 62.70 C ATOM 1795 CD2 LEU B 194 13.796 17.602 -6.103 1.00 61.30 C ATOM 1796 H LEU B 194 9.821 18.403 -5.325 1.00 0.00 H ATOM 1797 N LEU B 195 10.098 18.607 -2.469 1.00 74.93 N ATOM 1798 CA LEU B 195 9.714 18.918 -1.135 1.00 86.49 C ATOM 1799 C LEU B 195 8.232 18.854 -1.212 1.00 84.93 C ATOM 1800 O LEU B 195 7.685 18.821 -2.289 1.00 89.39 O ATOM 1801 CB LEU B 195 10.233 20.319 -0.727 1.00 99.89 C ATOM 1802 CG LEU B 195 9.225 21.387 -0.273 1.00101.58 C ATOM 1803 CD1 LEU B 195 8.789 21.218 1.156 1.00 98.05 C ATOM 1804 CD2 LEU B 195 9.633 22.825 -0.501 1.00101.34 C ATOM 1805 H LEU B 195 9.593 19.045 -3.266 1.00 0.00 H ATOM 1806 N VAL B 196 7.572 18.821 -0.075 1.00 78.52 N ATOM 1807 CA VAL B 196 6.137 18.791 -0.076 1.00 82.57 C ATOM 1808 C VAL B 196 5.573 20.174 0.135 1.00 91.47 C ATOM 1809 O VAL B 196 5.840 20.777 1.151 1.00 85.29 O ATOM 1810 CB VAL B 196 5.596 17.993 1.091 1.00 72.66 C ATOM 1811 CG1 VAL B 196 4.088 18.103 1.104 1.00 67.70 C ATOM 1812 CG2 VAL B 196 6.085 16.570 1.026 1.00 71.60 C ATOM 1813 H VAL B 196 8.091 18.817 0.826 1.00 0.00 H ATOM 1814 N GLU B 197 4.777 20.666 -0.801 1.00103.02 N ATOM 1815 CA GLU B 197 4.173 21.957 -0.606 1.00108.22 C ATOM 1816 C GLU B 197 3.061 21.724 0.383 1.00100.78 C ATOM 1817 O GLU B 197 2.431 20.680 0.366 1.00103.16 O ATOM 1818 CB GLU B 197 3.466 22.493 -1.854 1.00121.31 C ATOM 1819 CG GLU B 197 4.468 22.805 -2.965 1.00131.34 C ATOM 1820 CD GLU B 197 3.856 23.277 -4.275 1.00134.43 C ATOM 1821 OE1 GLU B 197 2.622 23.200 -4.426 1.00145.77 O ATOM 1822 OE2 GLU B 197 4.617 23.756 -5.145 1.00122.18 O ATOM 1823 H GLU B 197 4.590 20.125 -1.669 1.00 0.00 H ATOM 1824 N ILE B 198 2.815 22.691 1.248 1.00 90.53 N ATOM 1825 CA ILE B 198 1.749 22.528 2.213 1.00 83.35 C ATOM 1826 C ILE B 198 0.402 23.157 1.901 1.00 84.24 C ATOM 1827 O ILE B 198 0.236 24.365 1.874 1.00 74.77 O ATOM 1828 CB ILE B 198 2.322 22.880 3.577 1.00 71.84 C ATOM 1829 CG1 ILE B 198 3.420 21.889 3.888 1.00 64.57 C ATOM 1830 CG2 ILE B 198 1.266 22.796 4.652 1.00 74.93 C ATOM 1831 CD1 ILE B 198 4.240 22.276 5.077 1.00 60.20 C ATOM 1832 H ILE B 198 3.383 23.562 1.236 1.00 0.00 H ATOM 1833 N THR B 199 -0.542 22.264 1.658 1.00 91.96 N ATOM 1834 CA THR B 199 -1.900 22.586 1.323 1.00102.45 C ATOM 1835 C THR B 199 -2.673 21.339 1.684 1.00107.95 C ATOM 1836 O THR B 199 -2.109 20.249 1.691 1.00107.17 O ATOM 1837 CB THR B 199 -2.057 22.779 -0.181 1.00109.89 C ATOM 1838 OG1 THR B 199 -1.664 21.578 -0.848 1.00112.89 O ATOM 1839 CG2 THR B 199 -1.212 23.931 -0.674 1.00105.42 C ATOM 1840 HG1 THR B 199 -2.238 20.831 -0.545 1.00 0.00 H ATOM 1841 H THR B 199 -0.283 21.258 1.713 1.00 0.00 H TER 1842 THR B 199 HETATM 1843 O HOH 1 37.219 21.326 -12.840 1.00 28.51 O HETATM 1844 O HOH 2 26.914 20.095 -25.525 1.00 55.33 O HETATM 1845 O HOH 3 8.684 21.399 -11.900 1.00 50.97 O HETATM 1846 O HOH 4 24.255 32.000 -16.847 1.00 38.41 O HETATM 1847 O HOH 5 36.333 26.654 -5.458 1.00 59.68 O HETATM 1848 O HOH 6 18.345 24.354 -20.335 1.00 56.59 O HETATM 1849 O HOH 7 22.091 27.461 -23.230 1.00 46.35 O HETATM 1850 O HOH 8 33.970 31.277 -21.434 1.00 38.71 O HETATM 1851 O HOH 9 17.238 27.539 -22.489 1.00 52.25 O HETATM 1852 O HOH 10 31.383 16.463 -4.132 1.00 37.18 O HETATM 1853 O HOH 11 25.782 3.747 -10.028 1.00 55.60 O HETATM 1854 O HOH 12 30.566 13.423 -6.423 1.00 35.77 O HETATM 1855 O HOH 13 23.168 36.426 -23.491 1.00 44.52 O HETATM 1856 O HOH 14 32.645 27.651 -0.269 1.00 51.06 O HETATM 1857 O HOH 15 19.146 30.735 -1.291 1.00 42.83 O HETATM 1858 O HOH 16 33.555 3.838 -4.210 1.00 53.11 O HETATM 1859 O HOH 17 9.938 10.212 -11.767 1.00 62.42 O HETATM 1860 O HOH 18 20.679 19.720 -20.389 1.00 49.86 O HETATM 1861 O HOH 19 30.437 25.924 10.991 1.00 41.40 O HETATM 1862 O HOH 20 35.945 26.581 -1.124 1.00 55.62 O HETATM 1863 O HOH 21 27.314 14.551 -0.069 1.00 42.89 O HETATM 1864 O HOH 22 16.619 31.982 -11.630 1.00 50.72 O HETATM 1865 O HOH 23 38.013 27.267 -3.710 1.00 58.19 O HETATM 1866 O HOH 24 29.838 32.338 4.683 1.00 55.33 O HETATM 1867 O HOH 25 12.431 4.539 -3.474 1.00 68.10 O HETATM 1868 O HOH 26 40.030 16.964 -8.300 1.00 51.43 O HETATM 1869 O HOH 27 17.317 34.024 -5.990 1.00 59.44 O HETATM 1870 O HOH 28 22.239 10.832 8.597 1.00 55.49 O HETATM 1871 O HOH 29 19.512 3.175 -29.167 1.00 69.96 O HETATM 1872 O HOH 30 7.885 30.942 -13.988 1.00 64.01 O HETATM 1873 O HOH 31 8.790 14.426 -13.681 1.00 57.84 O HETATM 1874 O HOH 32 21.678 16.393 13.794 1.00 42.93 O HETATM 1875 O HOH 33 23.141 15.753 0.433 1.00 64.32 O HETATM 1876 O HOH 34 34.593 33.724 -2.723 1.00 62.14 O HETATM 1877 O HOH 35 10.523 25.013 -21.048 1.00 66.52 O HETATM 1878 N ASN A 36 40.170 6.701 -17.040 1.00 0.24 N HETATM 1879 CA ASN A 36 40.871 7.972 -17.200 1.00 0.08 C HETATM 1880 C ASN A 36 41.058 8.341 -18.665 1.00 0.23 C HETATM 1881 O ASN A 36 40.603 9.392 -19.124 1.00 -0.39 O HETATM 1882 N ASN A 36 41.741 7.459 -19.389 1.00 -0.26 N HETATM 1883 CA ASN A 36 42.131 7.701 -20.774 1.00 0.15 C HETATM 1884 C ASN A 36 40.926 7.789 -21.716 1.00 0.21 C HETATM 1885 O ASN A 36 40.820 8.728 -22.504 1.00 -0.39 O HETATM 1886 N ASN A 36 40.019 6.817 -21.627 1.00 -0.26 N HETATM 1887 CA ASN A 36 38.812 6.813 -22.456 1.00 0.13 C HETATM 1888 C ASN A 36 37.980 8.095 -22.296 1.00 0.20 C HETATM 1889 O ASN A 36 37.624 8.738 -23.292 1.00 -0.39 O HETATM 1890 N ASN A 36 37.676 8.453 -21.046 1.00 -0.26 N HETATM 1891 CA ASN A 36 36.945 9.682 -20.741 1.00 0.13 C HETATM 1892 C ASN A 36 37.592 10.913 -21.368 1.00 0.20 C HETATM 1893 O ASN A 36 36.903 11.754 -21.954 1.00 -0.39 O HETATM 1894 N ASN A 36 38.915 11.011 -21.242 1.00 -0.26 N HETATM 1895 CA ASN A 36 39.658 12.181 -21.710 1.00 0.13 C HETATM 1896 C ASN A 36 39.612 12.347 -23.241 1.00 0.20 C HETATM 1897 O ASN A 36 39.551 13.472 -23.742 1.00 -0.39 O HETATM 1898 N ASN A 36 39.648 11.243 -23.985 1.00 -0.26 N HETATM 1899 CA ASN A 36 39.604 11.326 -25.449 1.00 0.15 C HETATM 1900 C ASN A 36 38.175 11.608 -25.913 1.00 0.21 C HETATM 1901 O ASN A 36 37.943 12.347 -26.878 1.00 -0.39 O HETATM 1902 N ASN A 36 37.220 11.027 -25.195 1.00 -0.26 N HETATM 1903 CA ASN A 36 35.804 11.267 -25.433 1.00 0.13 C HETATM 1904 C ASN A 36 35.416 12.739 -25.210 1.00 0.20 C HETATM 1905 O ASN A 36 34.481 13.242 -25.842 1.00 -0.39 O HETATM 1906 N ASN A 36 36.138 13.427 -24.322 1.00 -0.26 N HETATM 1907 CA ASN A 36 35.909 14.853 -24.064 1.00 0.13 C HETATM 1908 C ASN A 36 36.617 15.750 -25.097 1.00 0.20 C HETATM 1909 O ASN A 36 36.088 16.796 -25.492 1.00 -0.39 O HETATM 1910 N ASN A 36 37.814 15.343 -25.517 1.00 -0.26 N HETATM 1911 CA ASN A 36 38.550 16.038 -26.574 1.00 0.13 C HETATM 1912 C ASN A 36 37.785 15.934 -27.887 1.00 0.20 C HETATM 1913 O ASN A 36 37.761 16.869 -28.690 1.00 -0.39 O HETATM 1914 N ASN A 36 37.167 14.775 -28.088 1.00 -0.26 N HETATM 1915 CA ASN A 36 36.238 14.547 -29.183 1.00 0.15 C HETATM 1916 C ASN A 36 35.145 15.610 -29.223 1.00 0.21 C HETATM 1917 O ASN A 36 34.791 16.111 -30.288 1.00 -0.39 O HETATM 1918 N ASN A 36 34.617 15.949 -28.053 1.00 -0.26 N HETATM 1919 CA ASN A 36 33.553 16.933 -27.958 1.00 0.13 C HETATM 1920 C ASN A 36 34.008 18.371 -27.969 1.00 0.20 C HETATM 1921 O ASN A 36 33.196 19.260 -28.047 1.00 -0.39 O HETATM 1922 N ASN A 36 35.306 18.609 -27.923 1.00 -0.27 N HETATM 1923 CA ASN A 36 35.819 19.977 -28.020 1.00 0.12 C HETATM 1924 C ASN A 36 36.572 20.188 -29.321 1.00 0.06 C HETATM 1925 O ASN A 36 35.985 20.580 -30.330 1.00 -0.57 O HETATM 1926 OXT ASN A 36 37.782 19.971 -29.389 1.00 -0.57 O HETATM 1927 CB ASN A 36 36.748 20.341 -26.846 1.00 0.09 C HETATM 1928 OG1 ASN A 36 35.967 20.500 -25.659 1.00 -0.39 O HETATM 1929 H110 ASN A 36 36.538 20.724 -24.933 1.00 0.21 H HETATM 1930 CG2 ASN A 36 37.480 21.654 -27.126 1.00 -0.04 C HETATM 1931 H111 ASN A 36 38.137 21.896 -26.277 1.00 0.03 H HETATM 1932 H112 ASN A 36 36.745 22.461 -27.263 1.00 0.03 H HETATM 1933 H113 ASN A 36 38.084 21.549 -28.039 1.00 0.03 H HETATM 1934 H109 ASN A 36 37.483 19.536 -26.701 1.00 0.06 H HETATM 1935 H108 ASN A 36 34.957 20.660 -28.001 1.00 0.08 H HETATM 1936 H107 ASN A 36 35.945 17.847 -27.821 1.00 0.19 H HETATM 1937 CB ASN A 36 32.659 16.632 -26.788 1.00 -0.01 C HETATM 1938 CG ASN A 36 32.124 15.214 -26.787 1.00 -0.04 C HETATM 1939 CD ASN A 36 30.775 15.105 -27.468 1.00 -0.01 C HETATM 1940 CE ASN A 36 30.359 13.653 -27.565 1.00 -0.04 C HETATM 1941 NZ ASN A 36 29.234 13.429 -28.503 1.00 0.22 N HETATM 1942 H104 ASN A 36 29.004 12.448 -28.524 1.00 0.20 H HETATM 1943 H105 ASN A 36 29.501 13.731 -29.427 1.00 0.20 H HETATM 1944 H106 ASN A 36 28.431 13.956 -28.197 1.00 0.20 H HETATM 1945 H102 ASN A 36 30.054 13.309 -26.566 1.00 0.08 H HETATM 1946 H103 ASN A 36 31.223 13.064 -27.908 1.00 0.08 H HETATM 1947 H100 ASN A 36 30.842 15.533 -28.479 1.00 0.03 H HETATM 1948 H101 ASN A 36 30.026 15.660 -26.884 1.00 0.03 H HETATM 1949 H98 ASN A 36 32.022 14.876 -25.745 1.00 0.03 H HETATM 1950 H99 ASN A 36 32.839 14.566 -27.315 1.00 0.03 H HETATM 1951 H96 ASN A 36 31.806 17.326 -26.814 1.00 0.03 H HETATM 1952 H97 ASN A 36 33.232 16.789 -25.862 1.00 0.03 H HETATM 1953 H95 ASN A 36 32.941 16.807 -28.863 1.00 0.08 H HETATM 1954 H94 ASN A 36 34.959 15.517 -27.219 1.00 0.19 H HETATM 1955 CB ASN A 36 35.616 13.155 -29.047 1.00 0.08 C HETATM 1956 OG ASN A 36 34.671 12.910 -30.068 1.00 -0.39 O HETATM 1957 H93 ASN A 36 34.304 12.041 -29.956 1.00 0.21 H HETATM 1958 H91 ASN A 36 35.115 13.081 -28.071 1.00 0.06 H HETATM 1959 H92 ASN A 36 36.413 12.399 -29.108 1.00 0.06 H HETATM 1960 H90 ASN A 36 36.798 14.592 -30.129 1.00 0.08 H HETATM 1961 H89 ASN A 36 37.350 14.023 -27.455 1.00 0.19 H HETATM 1962 CB ASN A 36 39.959 15.459 -26.730 1.00 -0.01 C HETATM 1963 CG ASN A 36 40.802 16.146 -27.798 1.00 -0.02 C HETATM 1964 CD ASN A 36 42.224 15.571 -27.855 1.00 0.06 C HETATM 1965 NE ASN A 36 42.240 14.170 -28.278 1.00 -0.27 N HETATM 1966 CZ ASN A 36 42.199 13.769 -29.546 1.00 0.29 C HETATM 1967 NH1 ASN A 36 42.137 14.667 -30.528 1.00 -0.28 N HETATM 1968 H85 ASN A 36 42.105 14.356 -31.509 1.00 0.26 H HETATM 1969 H86 ASN A 36 42.121 15.673 -30.306 1.00 0.26 H HETATM 1970 NH2 ASN A 36 42.221 12.471 -29.834 1.00 -0.28 N HETATM 1971 H87 ASN A 36 42.269 11.776 -29.075 1.00 0.26 H HETATM 1972 H88 ASN A 36 42.190 12.161 -30.816 1.00 0.26 H HETATM 1973 H84 ASN A 36 42.286 13.447 -27.546 1.00 0.26 H HETATM 1974 H82 ASN A 36 42.675 15.644 -26.855 1.00 0.07 H HETATM 1975 H83 ASN A 36 42.816 16.163 -28.568 1.00 0.07 H HETATM 1976 H80 ASN A 36 40.861 17.220 -27.569 1.00 0.03 H HETATM 1977 H81 ASN A 36 40.321 16.005 -28.777 1.00 0.03 H HETATM 1978 H78 ASN A 36 39.867 14.395 -26.994 1.00 0.03 H HETATM 1979 H79 ASN A 36 40.480 15.554 -25.766 1.00 0.03 H HETATM 1980 H77 ASN A 36 38.638 17.100 -26.300 1.00 0.08 H HETATM 1981 H76 ASN A 36 38.224 14.534 -25.095 1.00 0.19 H HETATM 1982 CB ASN A 36 36.360 15.217 -22.641 1.00 -0.01 C HETATM 1983 CG ASN A 36 36.436 16.701 -22.271 1.00 -0.04 C HETATM 1984 CD1 ASN A 36 35.084 17.377 -22.413 1.00 -0.06 C HETATM 1985 H70 ASN A 36 35.175 18.439 -22.140 1.00 0.02 H HETATM 1986 H71 ASN A 36 34.358 16.888 -21.747 1.00 0.02 H HETATM 1987 H72 ASN A 36 34.740 17.294 -23.455 1.00 0.02 H HETATM 1988 CD2 ASN A 36 36.969 16.866 -20.864 1.00 -0.06 C HETATM 1989 H73 ASN A 36 37.947 16.370 -20.782 1.00 0.02 H HETATM 1990 H74 ASN A 36 36.267 16.411 -20.150 1.00 0.02 H HETATM 1991 H75 ASN A 36 37.080 17.937 -20.637 1.00 0.02 H HETATM 1992 H69 ASN A 36 37.136 17.191 -22.964 1.00 0.03 H HETATM 1993 H67 ASN A 36 37.364 14.792 -22.497 1.00 0.03 H HETATM 1994 H68 ASN A 36 35.656 14.741 -21.942 1.00 0.03 H HETATM 1995 H66 ASN A 36 34.828 15.040 -24.140 1.00 0.08 H HETATM 1996 H65 ASN A 36 36.859 12.954 -23.816 1.00 0.19 H HETATM 1997 CB ASN A 36 34.976 10.349 -24.536 1.00 -0.01 C HETATM 1998 CG ASN A 36 33.472 10.347 -24.761 1.00 -0.04 C HETATM 1999 CD1 ASN A 36 33.146 10.261 -26.236 1.00 -0.06 C HETATM 2000 H59 ASN A 36 32.054 10.261 -26.371 1.00 0.02 H HETATM 2001 H60 ASN A 36 33.566 9.333 -26.651 1.00 0.02 H HETATM 2002 H61 ASN A 36 33.580 11.126 -26.759 1.00 0.02 H HETATM 2003 CD2 ASN A 36 32.865 9.179 -24.012 1.00 -0.06 C HETATM 2004 H62 ASN A 36 33.113 9.260 -22.943 1.00 0.02 H HETATM 2005 H63 ASN A 36 33.269 8.237 -24.412 1.00 0.02 H HETATM 2006 H64 ASN A 36 31.772 9.191 -24.137 1.00 0.02 H HETATM 2007 H58 ASN A 36 33.052 11.283 -24.364 1.00 0.03 H HETATM 2008 H56 ASN A 36 35.156 10.651 -23.494 1.00 0.03 H HETATM 2009 H57 ASN A 36 35.337 9.321 -24.688 1.00 0.03 H HETATM 2010 H55 ASN A 36 35.587 11.016 -26.482 1.00 0.08 H HETATM 2011 H54 ASN A 36 37.484 10.400 -24.462 1.00 0.19 H HETATM 2012 CB ASN A 36 40.140 10.041 -26.084 1.00 0.08 C HETATM 2013 OG ASN A 36 41.491 9.812 -25.706 1.00 -0.39 O HETATM 2014 H53 ASN A 36 41.545 9.731 -24.761 1.00 0.21 H HETATM 2015 H51 ASN A 36 40.083 10.130 -27.179 1.00 0.06 H HETATM 2016 H52 ASN A 36 39.525 9.192 -25.752 1.00 0.06 H HETATM 2017 H50 ASN A 36 40.244 12.161 -25.769 1.00 0.08 H HETATM 2018 H49 ASN A 36 39.706 10.349 -23.541 1.00 0.19 H HETATM 2019 CB ASN A 36 41.116 12.110 -21.240 1.00 -0.01 C HETATM 2020 CG ASN A 36 42.021 13.328 -21.465 1.00 -0.04 C HETATM 2021 CD1 ASN A 36 43.026 13.439 -20.335 1.00 -0.06 C HETATM 2022 H43 ASN A 36 43.671 14.314 -20.503 1.00 0.02 H HETATM 2023 H44 ASN A 36 43.643 12.529 -20.303 1.00 0.02 H HETATM 2024 H45 ASN A 36 42.493 13.555 -19.380 1.00 0.02 H HETATM 2025 CD2 ASN A 36 42.738 13.299 -22.807 1.00 -0.06 C HETATM 2026 H46 ASN A 36 41.998 13.218 -23.617 1.00 0.02 H HETATM 2027 H47 ASN A 36 43.416 12.433 -22.842 1.00 0.02 H HETATM 2028 H48 ASN A 36 43.319 14.225 -22.932 1.00 0.02 H HETATM 2029 H42 ASN A 36 41.384 14.225 -21.448 1.00 0.03 H HETATM 2030 H40 ASN A 36 41.583 11.259 -21.758 1.00 0.03 H HETATM 2031 H41 ASN A 36 41.099 11.915 -20.158 1.00 0.03 H HETATM 2032 H39 ASN A 36 39.194 13.072 -21.262 1.00 0.08 H HETATM 2033 H38 ASN A 36 39.417 10.260 -20.813 1.00 0.19 H HETATM 2034 CB ASN A 36 36.841 9.887 -19.227 1.00 -0.01 C HETATM 2035 CG ASN A 36 35.964 8.944 -18.403 1.00 -0.04 C HETATM 2036 CD1 ASN A 36 36.167 9.228 -16.923 1.00 -0.06 C HETATM 2037 H32 ASN A 36 35.536 8.550 -16.330 1.00 0.02 H HETATM 2038 H33 ASN A 36 35.888 10.270 -16.708 1.00 0.02 H HETATM 2039 H34 ASN A 36 37.223 9.069 -16.661 1.00 0.02 H HETATM 2040 CD2 ASN A 36 34.503 9.089 -18.795 1.00 -0.06 C HETATM 2041 H35 ASN A 36 34.389 8.878 -19.869 1.00 0.02 H HETATM 2042 H36 ASN A 36 34.167 10.115 -18.585 1.00 0.02 H HETATM 2043 H37 ASN A 36 33.895 8.379 -18.215 1.00 0.02 H HETATM 2044 H31 ASN A 36 36.274 7.908 -18.606 1.00 0.03 H HETATM 2045 H29 ASN A 36 36.456 10.905 -19.067 1.00 0.03 H HETATM 2046 H30 ASN A 36 37.861 9.812 -18.822 1.00 0.03 H HETATM 2047 H28 ASN A 36 35.929 9.582 -21.151 1.00 0.08 H HETATM 2048 H27 ASN A 36 37.958 7.860 -20.292 1.00 0.19 H HETATM 2049 CB ASN A 36 37.945 5.595 -22.131 1.00 -0.01 C HETATM 2050 CG ASN A 36 38.569 4.275 -22.519 1.00 -0.04 C HETATM 2051 CD ASN A 36 37.670 3.113 -22.148 1.00 -0.01 C HETATM 2052 CE ASN A 36 38.291 1.784 -22.564 1.00 -0.04 C HETATM 2053 NZ ASN A 36 37.431 0.625 -22.184 1.00 0.22 N HETATM 2054 H24 ASN A 36 37.874 -0.232 -22.475 1.00 0.20 H HETATM 2055 H25 ASN A 36 36.534 0.710 -22.636 1.00 0.20 H HETATM 2056 H26 ASN A 36 37.304 0.615 -21.184 1.00 0.20 H HETATM 2057 H22 ASN A 36 39.269 1.678 -22.071 1.00 0.08 H HETATM 2058 H23 ASN A 36 38.429 1.782 -23.655 1.00 0.08 H HETATM 2059 H20 ASN A 36 36.702 3.232 -22.656 1.00 0.03 H HETATM 2060 H21 ASN A 36 37.515 3.112 -21.059 1.00 0.03 H HETATM 2061 H18 ASN A 36 39.531 4.165 -21.996 1.00 0.03 H HETATM 2062 H19 ASN A 36 38.739 4.264 -23.606 1.00 0.03 H HETATM 2063 H16 ASN A 36 36.990 5.697 -22.668 1.00 0.03 H HETATM 2064 H17 ASN A 36 37.757 5.583 -21.047 1.00 0.03 H HETATM 2065 H15 ASN A 36 39.127 6.743 -23.508 1.00 0.08 H HETATM 2066 H14 ASN A 36 40.166 6.071 -20.977 1.00 0.19 H HETATM 2067 CB ASN A 36 43.099 6.606 -21.231 1.00 0.08 C HETATM 2068 OG ASN A 36 42.462 5.338 -21.232 1.00 -0.39 O HETATM 2069 H13 ASN A 36 43.079 4.675 -21.518 1.00 0.21 H HETATM 2070 H11 ASN A 36 43.959 6.577 -20.546 1.00 0.06 H HETATM 2071 H12 ASN A 36 43.448 6.835 -22.249 1.00 0.06 H HETATM 2072 H10 ASN A 36 42.658 8.666 -20.814 1.00 0.08 H HETATM 2073 H9 ASN A 36 41.999 6.591 -18.965 1.00 0.19 H HETATM 2074 CB ASN A 36 42.242 7.927 -16.517 1.00 0.10 C HETATM 2075 CG ASN A 36 42.890 9.298 -16.399 1.00 0.18 C HETATM 2076 OD1 ASN A 36 42.206 10.316 -16.274 1.00 -0.40 O HETATM 2077 ND2 ASN A 36 44.221 9.329 -16.444 1.00 -0.30 N HETATM 2078 H7 ASN A 36 44.703 10.202 -16.371 1.00 0.18 H HETATM 2079 H8 ASN A 36 44.738 8.479 -16.550 1.00 0.18 H HETATM 2080 H5 ASN A 36 42.905 7.275 -17.104 1.00 0.06 H HETATM 2081 H6 ASN A 36 42.117 7.510 -15.507 1.00 0.06 H HETATM 2082 H4 ASN A 36 40.266 8.756 -16.721 1.00 0.11 H HETATM 2083 H1 ASN A 36 40.068 6.495 -16.059 1.00 0.20 H HETATM 2084 H2 ASN A 36 40.700 5.967 -17.484 1.00 0.20 H HETATM 2085 H3 ASN A 36 39.259 6.764 -17.467 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1379 1380 1388 1389 1390 CONECT 1388 1379 CONECT 1389 1379 CONECT 1390 1379 CONECT 1580 1581 1587 1588 1589 CONECT 1587 1580 CONECT 1588 1580 CONECT 1589 1580 CONECT 1878 1879 2083 2084 2085 CONECT 1879 1878 1880 2074 2082 CONECT 1880 1879 1881 1882 CONECT 1881 1880 CONECT 1882 1880 1883 2073 CONECT 1883 1882 1884 2067 2072 CONECT 1884 1883 1885 1886 CONECT 1885 1884 CONECT 1886 1884 1887 2066 CONECT 1887 1886 1888 2049 2065 CONECT 1888 1887 1889 1890 CONECT 1889 1888 CONECT 1890 1888 1891 2048 CONECT 1891 1890 1892 2034 2047 CONECT 1892 1891 1893 1894 CONECT 1893 1892 CONECT 1894 1892 1895 2033 CONECT 1895 1894 1896 2019 2032 CONECT 1896 1895 1897 1898 CONECT 1897 1896 CONECT 1898 1896 1899 2018 CONECT 1899 1898 1900 2012 2017 CONECT 1900 1899 1901 1902 CONECT 1901 1900 CONECT 1902 1900 1903 2011 CONECT 1903 1902 1904 1997 2010 CONECT 1904 1903 1905 1906 CONECT 1905 1904 CONECT 1906 1904 1907 1996 CONECT 1907 1906 1908 1982 1995 CONECT 1908 1907 1909 1910 CONECT 1909 1908 CONECT 1910 1908 1911 1981 CONECT 1911 1910 1912 1962 1980 CONECT 1912 1911 1913 1914 CONECT 1913 1912 CONECT 1914 1912 1915 1961 CONECT 1915 1914 1916 1955 1960 CONECT 1916 1915 1917 1918 CONECT 1917 1916 CONECT 1918 1916 1919 1954 CONECT 1919 1918 1920 1937 1953 CONECT 1920 1919 1921 1922 CONECT 1921 1920 CONECT 1922 1920 1923 1936 CONECT 1923 1922 1924 1927 1935 CONECT 1924 1923 1925 1926 CONECT 1925 1924 CONECT 1926 1924 CONECT 1927 1923 1928 1930 1934 CONECT 1928 1927 1929 CONECT 1929 1928 CONECT 1930 1927 1931 1932 1933 CONECT 1931 1930 CONECT 1932 1930 CONECT 1933 1930 CONECT 1934 1927 CONECT 1935 1923 CONECT 1936 1922 CONECT 1937 1919 1938 1951 1952 CONECT 1938 1937 1939 1949 1950 CONECT 1939 1938 1940 1947 1948 CONECT 1940 1939 1941 1945 1946 CONECT 1941 1940 1942 1943 1944 CONECT 1942 1941 CONECT 1943 1941 CONECT 1944 1941 CONECT 1945 1940 CONECT 1946 1940 CONECT 1947 1939 CONECT 1948 1939 CONECT 1949 1938 CONECT 1950 1938 CONECT 1951 1937 CONECT 1952 1937 CONECT 1953 1919 CONECT 1954 1918 CONECT 1955 1915 1956 1958 1959 CONECT 1956 1955 1957 CONECT 1957 1956 CONECT 1958 1955 CONECT 1959 1955 CONECT 1960 1915 CONECT 1961 1914 CONECT 1962 1911 1963 1978 1979 CONECT 1963 1962 1964 1976 1977 CONECT 1964 1963 1965 1974 1975 CONECT 1965 1964 1966 1973 CONECT 1966 1965 1967 1970 CONECT 1967 1966 1968 1969 CONECT 1968 1967 CONECT 1969 1967 CONECT 1970 1966 1971 1972 CONECT 1971 1970 CONECT 1972 1970 CONECT 1973 1965 CONECT 1974 1964 CONECT 1975 1964 CONECT 1976 1963 CONECT 1977 1963 CONECT 1978 1962 CONECT 1979 1962 CONECT 1980 1911 CONECT 1981 1910 CONECT 1982 1907 1983 1993 1994 CONECT 1983 1982 1984 1988 1992 CONECT 1984 1983 1985 1986 1987 CONECT 1985 1984 CONECT 1986 1984 CONECT 1987 1984 CONECT 1988 1983 1989 1990 1991 CONECT 1989 1988 CONECT 1990 1988 CONECT 1991 1988 CONECT 1992 1983 CONECT 1993 1982 CONECT 1994 1982 CONECT 1995 1907 CONECT 1996 1906 CONECT 1997 1903 1998 2008 2009 CONECT 1998 1997 1999 2003 2007 CONECT 1999 1998 2000 2001 2002 CONECT 2000 1999 CONECT 2001 1999 CONECT 2002 1999 CONECT 2003 1998 2004 2005 2006 CONECT 2004 2003 CONECT 2005 2003 CONECT 2006 2003 CONECT 2007 1998 CONECT 2008 1997 CONECT 2009 1997 CONECT 2010 1903 CONECT 2011 1902 CONECT 2012 1899 2013 2015 2016 CONECT 2013 2012 2014 CONECT 2014 2013 CONECT 2015 2012 CONECT 2016 2012 CONECT 2017 1899 CONECT 2018 1898 CONECT 2019 1895 2020 2030 2031 CONECT 2020 2019 2021 2025 2029 CONECT 2021 2020 2022 2023 2024 CONECT 2022 2021 CONECT 2023 2021 CONECT 2024 2021 CONECT 2025 2020 2026 2027 2028 CONECT 2026 2025 CONECT 2027 2025 CONECT 2028 2025 CONECT 2029 2020 CONECT 2030 2019 CONECT 2031 2019 CONECT 2032 1895 CONECT 2033 1894 CONECT 2034 1891 2035 2045 2046 CONECT 2035 2034 2036 2040 2044 CONECT 2036 2035 2037 2038 2039 CONECT 2037 2036 CONECT 2038 2036 CONECT 2039 2036 CONECT 2040 2035 2041 2042 2043 CONECT 2041 2040 CONECT 2042 2040 CONECT 2043 2040 CONECT 2044 2035 CONECT 2045 2034 CONECT 2046 2034 CONECT 2047 1891 CONECT 2048 1890 CONECT 2049 1887 2050 2063 2064 CONECT 2050 2049 2051 2061 2062 CONECT 2051 2050 2052 2059 2060 CONECT 2052 2051 2053 2057 2058 CONECT 2053 2052 2054 2055 2056 CONECT 2054 2053 CONECT 2055 2053 CONECT 2056 2053 CONECT 2057 2052 CONECT 2058 2052 CONECT 2059 2051 CONECT 2060 2051 CONECT 2061 2050 CONECT 2062 2050 CONECT 2063 2049 CONECT 2064 2049 CONECT 2065 1887 CONECT 2066 1886 CONECT 2067 1883 2068 2070 2071 CONECT 2068 2067 2069 CONECT 2069 2068 CONECT 2070 2067 CONECT 2071 2067 CONECT 2072 1883 CONECT 2073 1882 CONECT 2074 1879 2075 2080 2081 CONECT 2075 2074 2076 2077 CONECT 2076 2075 CONECT 2077 2075 2078 2079 CONECT 2078 2077 CONECT 2079 2077 CONECT 2080 2074 CONECT 2081 2074 CONECT 2082 1879 CONECT 2083 1878 CONECT 2084 1878 CONECT 2085 1878 MASTER 0 0 0 0 0 0 0 0 2082 3 220 15 END
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PDBbind
12-mer
1x8s
RCSB PDB
PDBbind
12-mer
1xb7
RCSB PDB
PDBbind
12-mer
1y98
RCSB PDB
PDBbind
12-mer
2a3i
RCSB PDB
PDBbind
12-mer
2byp
RCSB PDB
PDBbind
12-mer
2ci9
RCSB PDB
PDBbind
12-mer
2fx8
RCSB PDB
PDBbind
12-mer
2g6q
RCSB PDB
PDBbind
12-mer
2iv9
RCSB PDB
PDBbind
12-mer
2jbu
RCSB PDB
PDBbind
12-mer
2kff
RCSB PDB
PDBbind
12-mer
2kfg
RCSB PDB
PDBbind
12-mer
2kfh
RCSB PDB
PDBbind
12-mer
2ltv
RCSB PDB
PDBbind
12-mer
2mow
RCSB PDB
PDBbind
12-mer
2mwp
RCSB PDB
PDBbind
12-mer
2ncz
RCSB PDB
PDBbind
12-mer
2nwn
RCSB PDB
PDBbind
12-mer
2ovq
RCSB PDB
PDBbind
12-mer
2pnx
RCSB PDB
PDBbind
12-mer
2pv2
RCSB PDB
PDBbind
12-mer
2pv3
RCSB PDB
PDBbind
12-mer
2qbx
RCSB PDB
PDBbind
12-mer
2qic
RCSB PDB
PDBbind
12-mer
2rol
RCSB PDB
PDBbind
12-mer
2v85
RCSB PDB
PDBbind
12-mer
2w10
RCSB PDB
PDBbind
12-mer
2w85
RCSB PDB
PDBbind
12-mer
2xzq
RCSB PDB
PDBbind
12-mer
2y06
RCSB PDB
PDBbind
12-mer
2y07
RCSB PDB
PDBbind
12-mer
2y1n
RCSB PDB
PDBbind
12-mer
2y36
RCSB PDB
PDBbind
12-mer
2ynr
RCSB PDB
PDBbind
12-mer
2yns
RCSB PDB
PDBbind
12-mer
3c6w
RCSB PDB
PDBbind
12-mer
3cs8
RCSB PDB
PDBbind
12-mer
3d32
RCSB PDB
PDBbind
12-mer
3dow
RCSB PDB
PDBbind
12-mer
3ds0
RCSB PDB
PDBbind
12-mer
3ds1
RCSB PDB
PDBbind
12-mer
3ds3
RCSB PDB
PDBbind
12-mer
3ds4
RCSB PDB
PDBbind
12-mer
3eqs
RCSB PDB
PDBbind
12-mer
3eqy
RCSB PDB
PDBbind
12-mer
3ggw
RCSB PDB
PDBbind
12-mer
3hs8
RCSB PDB
PDBbind
12-mer
3hs9
RCSB PDB
PDBbind
12-mer
3i5r
RCSB PDB
PDBbind
12-mer
3iqq
RCSB PDB
PDBbind
12-mer
3ivq
RCSB PDB
PDBbind
12-mer
3iwy
RCSB PDB
PDBbind
12-mer
3jzo
RCSB PDB
PDBbind
12-mer
3jzp
RCSB PDB
PDBbind
12-mer
3jzq
RCSB PDB
PDBbind
12-mer
3jzr
RCSB PDB
PDBbind
12-mer
3jzs
RCSB PDB
PDBbind
12-mer
3k26
RCSB PDB
PDBbind
12-mer
3l3x
RCSB PDB
PDBbind
12-mer
3l3z
RCSB PDB
PDBbind
12-mer
3lnj
RCSB PDB
PDBbind
12-mer
3lnz
RCSB PDB
PDBbind
12-mer
3mo8
RCSB PDB
PDBbind
12-mer
3ob1
RCSB PDB
PDBbind
12-mer
3ob2
RCSB PDB
PDBbind
12-mer
3poa
RCSB PDB
PDBbind
12-mer
3shb
RCSB PDB
PDBbind
12-mer
3sw9
RCSB PDB
PDBbind
12-mer
3tpx
RCSB PDB
PDBbind
12-mer
3tsz
RCSB PDB
PDBbind
12-mer
3u2q
RCSB PDB
PDBbind
12-mer
3ued
RCSB PDB
PDBbind
12-mer
3uef
RCSB PDB
PDBbind
12-mer
3ueo
RCSB PDB
PDBbind
12-mer
3uvw
RCSB PDB
PDBbind
12-mer
4a4c
RCSB PDB
PDBbind
12-mer
4b8p
RCSB PDB
PDBbind
12-mer
4ba3
RCSB PDB
PDBbind
12-mer
4cc2
RCSB PDB
PDBbind
12-mer
4cc3
RCSB PDB
PDBbind
12-mer
4cc7
RCSB PDB
PDBbind
12-mer
4dow
RCSB PDB
PDBbind
12-mer
4gao
RCSB PDB
PDBbind
12-mer
4gq6
RCSB PDB
PDBbind
12-mer
4gw1
RCSB PDB
PDBbind
12-mer
4gw5
RCSB PDB
PDBbind
12-mer
4hy9
RCSB PDB
PDBbind
12-mer
4j26
RCSB PDB
PDBbind
12-mer
4jfx
RCSB PDB
PDBbind
12-mer
4jfz
RCSB PDB
PDBbind
12-mer
4jg0
RCSB PDB
PDBbind
12-mer
4jg1
RCSB PDB
PDBbind
12-mer
4l58
RCSB PDB
PDBbind
12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
5y59
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ATP-dependent DNA helicase II, Ku80
Ligand Name
12-mer
EC.Number
E.C.3.6.4.12
Resolution
2.4(Å)
Affinity (Kd/Ki/IC50)
Kd=5.1uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Cell Vol. 172: pp. 331-343.e13
Ligand Properties
Formula
C
5
9
H
1
1
4
N
1
8
O
1
8
Molecular Weight
1363.650
Exact Mass
1362.860
No. of atoms
209
No. of bonds
208
Polar Surface Area
630.34
LOGP Value
-4.47 (
Computed with XLOGP3
)
-5.21 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 19
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 63
No. of Nitrogen and Oxygen Atoms: 36
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)CCCC[NH3+])CO)CCC[NH+]=C(N)N)CC(C)C)CC(C)C)CO)CC(C)C)CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)[NH3+])CO
InChI String
InChI=1S/C59H110N18O18/c1-29(2)21-38(51(87)67-37(17-14-20-66-59(64)65)49(85)75-43(27-79)56(92)69-36(16-11-13-19-61)50(86)77-46(33(9)81)58(94)95)71-53(89)40(23-31(5)6)73-57(93)44(28-80)76-54(90)41(24-32(7)8)72-52(88)39(22-30(3)4)70-48(84)35(15-10-12-18-60)68-55(91)42(26-78)74-47(83)34(62)25-45(63)82/h29-44,46,78-81H,10-28,60-62H2,1-9H3,(H2,63,82)(H,67,87)(H,68,91)(H,69,92)(H,70,84)(H,71,89)(H,72,88)(H,73,93)(H,74,83)(H,75,85)(H,76,90)(H,77,86)(H,94,95)(H4,64,65,66)/p+4/t33-,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,46+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q04437
Entrez Gene ID
NCBI Entrez Gene ID:
855132
ASD
Information of known allosteric effects of PDB entries
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