Browse entries in the PDBbind-CN Database
HEADER 6OXP_COMPLEX COMPND 6OXP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 A 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 A 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 A 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 B 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 B 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 B 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 B 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE HET K A 2A 80 ATOM 1 N PRO A 1 79.823 65.449 -3.155 1.00 29.82 N ATOM 2 CA PRO A 1 78.851 64.723 -3.976 1.00 31.61 C ATOM 3 C PRO A 1 77.428 64.860 -3.449 1.00 25.94 C ATOM 4 O PRO A 1 77.223 65.392 -2.355 1.00 24.47 O ATOM 5 CB PRO A 1 79.329 63.275 -3.874 1.00 47.67 C ATOM 6 CG PRO A 1 79.947 63.195 -2.522 1.00 34.06 C ATOM 7 CD PRO A 1 80.580 64.543 -2.273 1.00 34.18 C ATOM 8 HN2 PRO A 1 79.317 66.144 -2.570 1.00 0.00 H ATOM 9 HN1 PRO A 1 80.490 65.944 -3.781 1.00 0.00 H ATOM 10 N GLN A 2 76.462 64.405 -4.240 1.00 22.42 N ATOM 11 CA GLN A 2 75.085 64.243 -3.793 1.00 23.14 C ATOM 12 C GLN A 2 74.841 62.767 -3.516 1.00 24.11 C ATOM 13 O GLN A 2 75.076 61.922 -4.387 1.00 24.14 O ATOM 14 CB GLN A 2 74.094 64.758 -4.839 1.00 30.14 C ATOM 15 CG GLN A 2 72.630 64.608 -4.435 1.00 25.24 C ATOM 16 CD GLN A 2 71.696 65.446 -5.293 1.00 33.06 C ATOM 17 OE1 GLN A 2 71.156 66.451 -4.838 1.00 23.07 O ATOM 18 NE2 GLN A 2 71.500 65.033 -6.540 1.00 31.25 N ATOM 19 HE22 GLN A 2 71.977 64.176 -6.885 1.00 0.00 H ATOM 20 HE21 GLN A 2 70.869 65.567 -7.171 1.00 0.00 H ATOM 21 H GLN A 2 76.699 64.154 -5.221 1.00 0.00 H ATOM 22 N ILE A 3 74.379 62.463 -2.307 1.00 19.72 N ATOM 23 CA ILE A 3 74.203 61.092 -1.839 1.00 16.33 C ATOM 24 C ILE A 3 72.714 60.854 -1.639 1.00 20.17 C ATOM 25 O ILE A 3 72.076 61.518 -0.811 1.00 17.54 O ATOM 26 CB ILE A 3 74.982 60.837 -0.538 1.00 18.12 C ATOM 27 CG1 ILE A 3 76.484 61.044 -0.759 1.00 23.23 C ATOM 28 CG2 ILE A 3 74.715 59.429 -0.014 1.00 20.68 C ATOM 29 CD1 ILE A 3 77.315 61.017 0.518 1.00 23.78 C ATOM 30 H ILE A 3 74.131 63.241 -1.663 1.00 0.00 H ATOM 31 N THR A 4 72.158 59.916 -2.400 1.00 15.58 N ATOM 32 CA THR A 4 70.795 59.469 -2.175 1.00 13.98 C ATOM 33 C THR A 4 70.770 58.444 -1.041 1.00 13.38 C ATOM 34 O THR A 4 71.808 57.943 -0.599 1.00 19.48 O ATOM 35 CB THR A 4 70.207 58.880 -3.457 1.00 17.36 C ATOM 36 OG1 THR A 4 71.045 57.817 -3.923 1.00 20.74 O ATOM 37 CG2 THR A 4 70.106 59.947 -4.544 1.00 21.79 C ATOM 38 HG1 THR A 4 70.663 57.437 -4.753 1.00 0.00 H ATOM 39 H THR A 4 72.711 59.494 -3.173 1.00 0.00 H ATOM 40 N LEU A 5 69.564 58.127 -0.566 1.00 17.68 N ATOM 41 CA LEU A 5 69.407 57.412 0.696 1.00 16.39 C ATOM 42 C LEU A 5 68.697 56.069 0.541 1.00 22.79 C ATOM 43 O LEU A 5 68.159 55.541 1.521 1.00 17.14 O ATOM 44 CB LEU A 5 68.674 58.303 1.700 1.00 15.09 C ATOM 45 CG LEU A 5 69.431 59.599 2.023 1.00 10.44 C ATOM 46 CD1 LEU A 5 68.587 60.531 2.892 1.00 11.30 C ATOM 47 CD2 LEU A 5 70.754 59.312 2.706 1.00 19.71 C ATOM 48 H LEU A 5 68.717 58.395 -1.107 1.00 0.00 H ATOM 49 N TRP A 6 68.682 55.492 -0.660 1.00 21.50 N ATOM 50 CA TRP A 6 68.135 54.149 -0.805 1.00 19.97 C ATOM 51 C TRP A 6 69.067 53.092 -0.222 1.00 19.10 C ATOM 52 O TRP A 6 68.623 51.969 0.040 1.00 19.46 O ATOM 53 CB TRP A 6 67.829 53.864 -2.279 1.00 23.94 C ATOM 54 CG TRP A 6 66.540 54.502 -2.733 1.00 16.59 C ATOM 55 CD1 TRP A 6 65.277 54.021 -2.540 1.00 24.34 C ATOM 56 CD2 TRP A 6 66.390 55.741 -3.444 1.00 20.53 C ATOM 57 NE1 TRP A 6 64.352 54.880 -3.086 1.00 23.86 N ATOM 58 CE2 TRP A 6 65.010 55.942 -3.649 1.00 18.01 C ATOM 59 CE3 TRP A 6 67.289 56.697 -3.928 1.00 22.20 C ATOM 60 CZ2 TRP A 6 64.507 57.059 -4.314 1.00 23.55 C ATOM 61 CZ3 TRP A 6 66.787 57.806 -4.592 1.00 22.22 C ATOM 62 CH2 TRP A 6 65.408 57.976 -4.778 1.00 27.36 C ATOM 63 HE1 TRP A 6 63.321 54.745 -3.074 1.00 0.00 H ATOM 64 H TRP A 6 69.058 55.997 -1.488 1.00 0.00 H ATOM 65 N LYS A 7 70.337 53.428 -0.007 1.00 17.32 N ATOM 66 CA LYS A 7 71.270 52.588 0.727 1.00 15.12 C ATOM 67 C LYS A 7 71.861 53.406 1.869 1.00 15.25 C ATOM 68 O LYS A 7 71.780 54.636 1.881 1.00 17.60 O ATOM 69 CB LYS A 7 72.389 52.060 -0.185 1.00 22.63 C ATOM 70 H LYS A 7 70.679 54.336 -0.382 1.00 0.00 H ATOM 71 N ARG A 8 72.447 52.717 2.841 1.00 13.17 N ATOM 72 CA ARG A 8 73.107 53.410 3.942 1.00 15.06 C ATOM 73 C ARG A 8 74.167 54.365 3.396 1.00 16.77 C ATOM 74 O ARG A 8 74.947 53.979 2.513 1.00 17.11 O ATOM 75 CB ARG A 8 73.753 52.403 4.894 1.00 17.55 C ATOM 76 CG ARG A 8 72.756 51.520 5.633 1.00 18.19 C ATOM 77 CD ARG A 8 73.446 50.681 6.701 1.00 33.06 C ATOM 78 NE ARG A 8 72.485 49.958 7.538 1.00 40.98 N ATOM 79 CZ ARG A 8 72.461 48.639 7.728 1.00 39.85 C ATOM 80 NH1 ARG A 8 71.531 48.111 8.511 1.00 26.41 N ATOM 81 NH2 ARG A 8 73.358 47.841 7.161 1.00 42.24 N ATOM 82 HE ARG A 8 71.760 50.522 8.025 1.00 0.00 H ATOM 83 HH12 ARG A 8 71.504 47.083 8.666 1.00 0.00 H ATOM 84 HH11 ARG A 8 70.828 48.725 8.971 1.00 0.00 H ATOM 85 HH22 ARG A 8 73.318 46.815 7.325 1.00 0.00 H ATOM 86 HH21 ARG A 8 74.100 48.242 6.553 1.00 0.00 H ATOM 87 H ARG A 8 72.435 51.677 2.817 1.00 0.00 H ATOM 88 N PRO A 9 74.235 55.614 3.881 1.00 17.32 N ATOM 89 CA PRO A 9 75.286 56.554 3.410 1.00 10.67 C ATOM 90 C PRO A 9 76.648 56.288 4.042 1.00 14.02 C ATOM 91 O PRO A 9 77.165 57.049 4.870 1.00 12.13 O ATOM 92 CB PRO A 9 74.700 57.915 3.795 1.00 11.05 C ATOM 93 CG PRO A 9 73.859 57.629 4.991 1.00 13.81 C ATOM 94 CD PRO A 9 73.241 56.292 4.736 1.00 16.33 C ATOM 95 N LEU A 10 77.255 55.183 3.613 1.00 14.04 N ATOM 96 CA LEU A 10 78.552 54.742 4.106 1.00 16.96 C ATOM 97 C LEU A 10 79.670 55.313 3.249 1.00 21.10 C ATOM 98 O LEU A 10 79.607 55.279 2.017 1.00 20.56 O ATOM 99 CB LEU A 10 78.640 53.213 4.102 1.00 22.23 C ATOM 100 CG LEU A 10 77.775 52.494 5.139 1.00 25.46 C ATOM 101 CD1 LEU A 10 77.725 51.005 4.855 1.00 30.32 C ATOM 102 CD2 LEU A 10 78.305 52.741 6.547 1.00 22.83 C ATOM 103 H LEU A 10 76.779 54.607 2.890 1.00 0.00 H ATOM 104 N VAL A 11 80.704 55.825 3.913 1.00 16.53 N ATOM 105 CA VAL A 11 81.853 56.405 3.235 1.00 15.69 C ATOM 106 C VAL A 11 83.121 55.929 3.923 1.00 15.85 C ATOM 107 O VAL A 11 83.104 55.450 5.058 1.00 17.34 O ATOM 108 CB VAL A 11 81.808 57.949 3.215 1.00 17.17 C ATOM 109 CG1 VAL A 11 80.550 58.426 2.518 1.00 19.71 C ATOM 110 CG2 VAL A 11 81.887 58.516 4.623 1.00 17.49 C ATOM 111 H VAL A 11 80.690 55.810 4.953 1.00 0.00 H ATOM 112 N THR A 12 84.231 56.072 3.213 1.00 20.93 N ATOM 113 CA THR A 12 85.535 55.748 3.762 1.00 18.96 C ATOM 114 C THR A 12 86.091 56.970 4.478 1.00 16.46 C ATOM 115 O THR A 12 86.017 58.092 3.962 1.00 18.62 O ATOM 116 CB THR A 12 86.483 55.285 2.654 1.00 29.93 C ATOM 117 OG1 THR A 12 85.910 54.157 1.984 1.00 16.83 O ATOM 118 CG2 THR A 12 87.833 54.884 3.224 1.00 26.06 C ATOM 119 HG1 THR A 12 86.522 53.855 1.266 1.00 0.00 H ATOM 120 H THR A 12 84.166 56.426 2.237 1.00 0.00 H ATOM 121 N ILE A 13 86.625 56.750 5.675 1.00 11.32 N ATOM 122 CA ILE A 13 87.256 57.802 6.453 1.00 15.57 C ATOM 123 C ILE A 13 88.701 57.404 6.709 1.00 20.28 C ATOM 124 O ILE A 13 89.068 56.226 6.667 1.00 16.33 O ATOM 125 CB ILE A 13 86.516 58.065 7.782 1.00 16.43 C ATOM 126 CG1 ILE A 13 86.554 56.822 8.677 1.00 15.77 C ATOM 127 CG2 ILE A 13 85.072 58.473 7.495 1.00 16.66 C ATOM 128 CD1 ILE A 13 86.111 57.065 10.107 1.00 14.84 C ATOM 129 H ILE A 13 86.590 55.788 6.070 1.00 0.00 H ATOM 130 N LYS A 14 89.526 58.411 6.975 1.00 21.33 N ATOM 131 CA LYS A 14 90.909 58.208 7.388 1.00 17.54 C ATOM 132 C LYS A 14 91.093 58.871 8.742 1.00 25.29 C ATOM 133 O LYS A 14 90.836 60.072 8.891 1.00 23.53 O ATOM 134 CB LYS A 14 91.894 58.782 6.369 1.00 27.50 C ATOM 135 CG LYS A 14 93.316 58.268 6.545 1.00 35.41 C ATOM 136 CD LYS A 14 94.263 58.831 5.492 1.00 50.35 C ATOM 137 CE LYS A 14 94.819 60.188 5.897 1.00 47.05 C ATOM 138 NZ LYS A 14 95.909 60.634 4.981 1.00 51.71 N ATOM 139 HZ1 LYS A 14 96.685 59.942 5.004 1.00 0.00 H ATOM 140 HZ2 LYS A 14 95.538 60.708 4.012 1.00 0.00 H ATOM 141 HZ3 LYS A 14 96.262 61.562 5.290 1.00 0.00 H ATOM 142 H LYS A 14 89.170 59.384 6.885 1.00 0.00 H ATOM 143 N ILE A 15 91.522 58.088 9.725 1.00 18.53 N ATOM 144 CA ILE A 15 91.742 58.589 11.075 1.00 22.39 C ATOM 145 C ILE A 15 92.927 57.842 11.668 1.00 30.30 C ATOM 146 O ILE A 15 93.020 56.617 11.548 1.00 26.32 O ATOM 147 CB ILE A 15 90.483 58.427 11.949 1.00 21.60 C ATOM 148 CG1 ILE A 15 90.759 58.967 13.347 1.00 23.24 C ATOM 149 CG2 ILE A 15 90.044 56.965 11.987 1.00 28.60 C ATOM 150 CD1 ILE A 15 89.549 59.091 14.208 1.00 19.68 C ATOM 151 H ILE A 15 91.707 57.084 9.524 1.00 0.00 H ATOM 152 N GLY A 16 93.835 58.581 12.304 1.00 27.21 N ATOM 153 CA GLY A 16 95.033 57.977 12.853 1.00 29.94 C ATOM 154 C GLY A 16 95.897 57.284 11.825 1.00 28.35 C ATOM 155 O GLY A 16 96.707 56.424 12.183 1.00 30.64 O ATOM 156 H GLY A 16 93.682 59.604 12.408 1.00 0.00 H ATOM 157 N GLY A 17 95.749 57.641 10.550 1.00 21.58 N ATOM 158 CA GLY A 17 96.474 57.008 9.469 1.00 22.45 C ATOM 159 C GLY A 17 95.835 55.754 8.924 1.00 28.98 C ATOM 160 O GLY A 17 96.388 55.153 7.994 1.00 32.67 O ATOM 161 H GLY A 17 95.084 58.407 10.322 1.00 0.00 H ATOM 162 N GLN A 18 94.688 55.349 9.459 1.00 25.73 N ATOM 163 CA GLN A 18 94.021 54.111 9.086 1.00 28.67 C ATOM 164 C GLN A 18 92.724 54.422 8.353 1.00 23.02 C ATOM 165 O GLN A 18 92.007 55.363 8.712 1.00 27.10 O ATOM 166 CB GLN A 18 93.726 53.271 10.333 1.00 33.92 C ATOM 167 CG GLN A 18 93.210 51.869 10.056 1.00 38.46 C ATOM 168 CD GLN A 18 92.993 51.073 11.330 1.00 38.61 C ATOM 169 OE1 GLN A 18 92.416 51.571 12.300 1.00 31.79 O ATOM 170 NE2 GLN A 18 93.466 49.833 11.338 1.00 50.00 N ATOM 171 HE22 GLN A 18 93.946 49.454 10.497 1.00 0.00 H ATOM 172 HE21 GLN A 18 93.357 49.240 12.185 1.00 0.00 H ATOM 173 H GLN A 18 94.243 55.949 10.183 1.00 0.00 H ATOM 174 N LEU A 19 92.425 53.628 7.328 1.00 18.96 N ATOM 175 CA LEU A 19 91.163 53.736 6.613 1.00 19.88 C ATOM 176 C LEU A 19 90.089 52.905 7.306 1.00 26.72 C ATOM 177 O LEU A 19 90.347 51.793 7.773 1.00 22.80 O ATOM 178 CB LEU A 19 91.313 53.272 5.163 1.00 25.94 C ATOM 179 CG LEU A 19 92.280 54.028 4.250 1.00 28.48 C ATOM 180 CD1 LEU A 19 92.113 53.531 2.820 1.00 32.08 C ATOM 181 CD2 LEU A 19 92.059 55.535 4.322 1.00 32.21 C ATOM 182 H LEU A 19 93.114 52.909 7.029 1.00 0.00 H ATOM 183 N LYS A 20 88.880 53.457 7.366 1.00 25.35 N ATOM 184 CA LYS A 20 87.729 52.762 7.923 1.00 18.05 C ATOM 185 C LYS A 20 86.494 53.158 7.129 1.00 17.51 C ATOM 186 O LYS A 20 86.515 54.099 6.332 1.00 17.56 O ATOM 187 CB LYS A 20 87.521 53.093 9.405 1.00 19.16 C ATOM 188 CG LYS A 20 88.616 52.614 10.319 1.00 25.23 C ATOM 189 CD LYS A 20 88.398 53.133 11.727 1.00 24.33 C ATOM 190 CE LYS A 20 89.325 52.457 12.704 1.00 37.00 C ATOM 191 NZ LYS A 20 88.806 51.135 13.130 1.00 29.17 N ATOM 192 HZ1 LYS A 20 87.881 51.259 13.588 1.00 0.00 H ATOM 193 HZ2 LYS A 20 88.703 50.520 12.298 1.00 0.00 H ATOM 194 HZ3 LYS A 20 89.472 50.702 13.802 1.00 0.00 H ATOM 195 H LYS A 20 88.752 54.422 7.001 1.00 0.00 H ATOM 196 N GLU A 21 85.412 52.427 7.362 1.00 16.68 N ATOM 197 CA GLU A 21 84.105 52.760 6.822 1.00 12.76 C ATOM 198 C GLU A 21 83.238 53.325 7.938 1.00 14.78 C ATOM 199 O GLU A 21 83.254 52.814 9.062 1.00 12.54 O ATOM 200 CB GLU A 21 83.438 51.527 6.209 1.00 25.15 C ATOM 201 CG GLU A 21 82.237 51.830 5.339 1.00 29.92 C ATOM 202 CD GLU A 21 81.673 50.584 4.688 1.00 29.97 C ATOM 203 OE1 GLU A 21 81.850 50.420 3.464 1.00 35.52 O ATOM 204 OE2 GLU A 21 81.065 49.762 5.407 1.00 33.88 O ATOM 205 H GLU A 21 85.503 51.579 7.957 1.00 0.00 H ATOM 206 N ALA A 22 82.477 54.373 7.624 1.00 14.86 N ATOM 207 CA ALA A 22 81.644 55.035 8.617 1.00 15.73 C ATOM 208 C ALA A 22 80.341 55.485 7.975 1.00 12.25 C ATOM 209 O ALA A 22 80.248 55.665 6.758 1.00 12.07 O ATOM 210 CB ALA A 22 82.362 56.234 9.251 1.00 15.38 C ATOM 211 H ALA A 22 82.478 54.726 6.646 1.00 0.00 H ATOM 212 N LEU A 23 79.334 55.673 8.824 1.00 12.02 N ATOM 213 CA LEU A 23 77.992 56.049 8.399 1.00 10.39 C ATOM 214 C LEU A 23 77.793 57.542 8.621 1.00 10.32 C ATOM 215 O LEU A 23 78.001 58.040 9.735 1.00 11.52 O ATOM 216 CB LEU A 23 76.951 55.249 9.182 1.00 13.70 C ATOM 217 CG LEU A 23 75.473 55.419 8.833 1.00 10.92 C ATOM 218 CD1 LEU A 23 75.171 54.826 7.472 1.00 14.14 C ATOM 219 CD2 LEU A 23 74.614 54.755 9.906 1.00 15.43 C ATOM 220 H LEU A 23 79.513 55.545 9.840 1.00 0.00 H ATOM 221 N LEU A 24 77.402 58.254 7.564 1.00 11.11 N ATOM 222 CA LEU A 24 77.001 59.650 7.698 1.00 10.00 C ATOM 223 C LEU A 24 75.633 59.682 8.366 1.00 12.01 C ATOM 224 O LEU A 24 74.644 59.200 7.804 1.00 13.40 O ATOM 225 CB LEU A 24 76.973 60.335 6.335 1.00 14.55 C ATOM 226 CG LEU A 24 78.276 60.300 5.526 1.00 14.25 C ATOM 227 CD1 LEU A 24 78.107 61.052 4.210 1.00 13.56 C ATOM 228 CD2 LEU A 24 79.427 60.877 6.316 1.00 14.99 C ATOM 229 H LEU A 24 77.382 57.806 6.626 1.00 0.00 H ATOM 230 N ASP A 25 75.578 60.246 9.569 1.00 8.24 N ATOM 231 CA ASP A 25 74.451 60.072 10.483 1.00 9.63 C ATOM 232 C ASP A 25 73.948 61.438 10.949 1.00 10.83 C ATOM 233 O ASP A 25 74.424 61.972 11.953 1.00 10.97 O ATOM 234 CB ASP A 25 74.902 59.201 11.651 1.00 11.20 C ATOM 235 CG ASP A 25 73.775 58.837 12.583 1.00 10.24 C ATOM 236 OD1 ASP A 25 72.676 59.422 12.453 1.00 8.90 O ATOM 237 OD2 ASP A 25 74.000 57.957 13.441 1.00 12.01 O ATOM 238 H ASP A 25 76.376 60.840 9.874 1.00 0.00 H ATOM 239 N THR A 26 72.968 62.003 10.237 1.00 10.73 N ATOM 240 CA THR A 26 72.482 63.323 10.623 1.00 8.29 C ATOM 241 C THR A 26 71.733 63.297 11.950 1.00 9.65 C ATOM 242 O THR A 26 71.544 64.355 12.556 1.00 8.72 O ATOM 243 CB THR A 26 71.589 63.917 9.532 1.00 10.56 C ATOM 244 OG1 THR A 26 70.474 63.052 9.282 1.00 10.74 O ATOM 245 CG2 THR A 26 72.389 64.127 8.242 1.00 13.96 C ATOM 246 HG1 THR A 26 69.946 62.947 10.113 1.00 0.00 H ATOM 247 H THR A 26 72.558 61.508 9.419 1.00 0.00 H ATOM 248 N GLY A 27 71.318 62.123 12.424 1.00 10.76 N ATOM 249 CA GLY A 27 70.682 62.014 13.721 1.00 7.27 C ATOM 250 C GLY A 27 71.625 61.936 14.900 1.00 12.31 C ATOM 251 O GLY A 27 71.171 61.803 16.040 1.00 11.89 O ATOM 252 H GLY A 27 71.454 61.266 11.850 1.00 0.00 H ATOM 253 N ALA A 28 72.930 62.019 14.664 1.00 10.08 N ATOM 254 CA ALA A 28 73.926 61.962 15.724 1.00 12.94 C ATOM 255 C ALA A 28 74.520 63.350 15.931 1.00 10.87 C ATOM 256 O ALA A 28 75.033 63.954 14.981 1.00 12.21 O ATOM 257 CB ALA A 28 75.020 60.952 15.377 1.00 11.86 C ATOM 258 H ALA A 28 73.253 62.129 13.682 1.00 0.00 H ATOM 259 N ASP A 29 74.444 63.856 17.168 1.00 15.06 N ATOM 260 CA ASP A 29 75.151 65.089 17.504 1.00 11.70 C ATOM 261 C ASP A 29 76.653 64.896 17.369 1.00 15.51 C ATOM 262 O ASP A 29 77.368 65.786 16.894 1.00 11.21 O ATOM 263 CB ASP A 29 74.855 65.532 18.940 1.00 11.01 C ATOM 264 CG ASP A 29 73.385 65.759 19.214 1.00 21.26 C ATOM 265 OD1 ASP A 29 72.595 65.931 18.263 1.00 15.51 O ATOM 266 OD2 ASP A 29 73.032 65.783 20.411 1.00 15.80 O ATOM 267 H ASP A 29 73.879 63.369 17.893 1.00 0.00 H ATOM 268 N ASP A 30 77.143 63.742 17.810 1.00 11.81 N ATOM 269 CA ASP A 30 78.559 63.482 17.991 1.00 10.60 C ATOM 270 C ASP A 30 78.984 62.299 17.135 1.00 13.72 C ATOM 271 O ASP A 30 78.164 61.489 16.697 1.00 13.61 O ATOM 272 CB ASP A 30 78.871 63.197 19.468 1.00 16.69 C ATOM 273 CG ASP A 30 78.327 64.269 20.396 1.00 14.22 C ATOM 274 OD1 ASP A 30 78.622 65.457 20.169 1.00 20.64 O ATOM 275 OD2 ASP A 30 77.594 63.922 21.345 1.00 25.11 O ATOM 276 H ASP A 30 76.472 62.981 18.039 1.00 0.00 H ATOM 277 N THR A 31 80.290 62.211 16.917 1.00 14.10 N ATOM 278 CA THR A 31 80.900 61.148 16.135 1.00 9.23 C ATOM 279 C THR A 31 81.388 60.061 17.084 1.00 19.34 C ATOM 280 O THR A 31 82.109 60.348 18.047 1.00 14.53 O ATOM 281 CB THR A 31 82.054 61.709 15.298 1.00 12.51 C ATOM 282 OG1 THR A 31 81.535 62.604 14.308 1.00 14.92 O ATOM 283 CG2 THR A 31 82.832 60.607 14.608 1.00 12.86 C ATOM 284 HG1 THR A 31 81.059 63.348 14.755 1.00 0.00 H ATOM 285 H THR A 31 80.909 62.940 17.326 1.00 0.00 H ATOM 286 N VAL A 32 80.989 58.819 16.819 1.00 14.03 N ATOM 287 CA VAL A 32 81.315 57.694 17.688 1.00 11.72 C ATOM 288 C VAL A 32 81.844 56.564 16.818 1.00 12.77 C ATOM 289 O VAL A 32 81.155 56.108 15.899 1.00 11.20 O ATOM 290 CB VAL A 32 80.103 57.222 18.511 1.00 12.26 C ATOM 291 CG1 VAL A 32 80.552 56.250 19.593 1.00 14.80 C ATOM 292 CG2 VAL A 32 79.368 58.412 19.129 1.00 24.39 C ATOM 293 H VAL A 32 80.425 58.645 15.963 1.00 0.00 H ATOM 294 N LEU A 33 83.065 56.123 17.100 1.00 11.85 N ATOM 295 CA LEU A 33 83.713 55.053 16.360 1.00 11.27 C ATOM 296 C LEU A 33 83.881 53.824 17.244 1.00 17.42 C ATOM 297 O LEU A 33 83.944 53.924 18.472 1.00 12.22 O ATOM 298 CB LEU A 33 85.085 55.496 15.841 1.00 15.89 C ATOM 299 CG LEU A 33 85.114 56.770 14.996 1.00 14.04 C ATOM 300 CD1 LEU A 33 86.538 57.076 14.560 1.00 25.39 C ATOM 301 CD2 LEU A 33 84.207 56.637 13.791 1.00 15.36 C ATOM 302 H LEU A 33 83.582 56.564 17.887 1.00 0.00 H ATOM 303 N GLU A 34 83.949 52.660 16.602 1.00 17.65 N ATOM 304 CA GLU A 34 84.153 51.409 17.315 1.00 16.57 C ATOM 305 C GLU A 34 85.542 51.379 17.947 1.00 18.67 C ATOM 306 O GLU A 34 86.433 52.157 17.596 1.00 15.50 O ATOM 307 CB GLU A 34 83.978 50.217 16.369 1.00 18.35 C ATOM 308 CG GLU A 34 82.550 50.026 15.857 1.00 20.65 C ATOM 309 CD GLU A 34 82.408 48.815 14.949 1.00 26.91 C ATOM 310 OE1 GLU A 34 82.970 48.836 13.836 1.00 26.27 O ATOM 311 OE2 GLU A 34 81.745 47.837 15.355 1.00 32.75 O ATOM 312 H GLU A 34 83.854 52.645 15.566 1.00 0.00 H ATOM 313 N GLU A 35 85.718 50.457 18.893 1.00 19.77 N ATOM 314 CA GLU A 35 86.955 50.372 19.659 1.00 18.25 C ATOM 315 C GLU A 35 88.166 50.381 18.733 1.00 13.73 C ATOM 316 O GLU A 35 88.219 49.635 17.754 1.00 18.78 O ATOM 317 CB GLU A 35 86.950 49.101 20.513 1.00 29.78 C ATOM 318 CG GLU A 35 88.230 48.880 21.296 1.00 40.28 C ATOM 319 CD GLU A 35 88.554 50.051 22.194 1.00 43.47 C ATOM 320 OE1 GLU A 35 87.603 50.675 22.712 1.00 50.33 O ATOM 321 OE2 GLU A 35 89.753 50.354 22.373 1.00 50.53 O ATOM 322 H GLU A 35 84.953 49.781 19.090 1.00 0.00 H ATOM 323 N MET A 36 89.135 51.235 19.049 1.00 22.94 N ATOM 324 CA MET A 36 90.340 51.361 18.240 1.00 21.72 C ATOM 325 C MET A 36 91.396 52.092 19.054 1.00 23.47 C ATOM 326 O MET A 36 91.101 52.720 20.072 1.00 20.78 O ATOM 327 CB MET A 36 90.066 52.112 16.935 1.00 23.25 C ATOM 328 CG MET A 36 89.744 53.590 17.147 1.00 22.86 C ATOM 329 SD MET A 36 89.617 54.550 15.635 1.00 26.50 S ATOM 330 CE MET A 36 91.270 54.370 14.967 1.00 31.45 C ATOM 331 H MET A 36 89.030 51.829 19.896 1.00 0.00 H ATOM 332 N ASN A 37 92.633 52.025 18.574 1.00 30.15 N ATOM 333 CA ASN A 37 93.744 52.727 19.197 1.00 36.62 C ATOM 334 C ASN A 37 93.955 54.066 18.502 1.00 41.85 C ATOM 335 O ASN A 37 94.074 54.122 17.272 1.00 25.44 O ATOM 336 CB ASN A 37 95.018 51.886 19.143 1.00 47.63 C ATOM 337 CG ASN A 37 94.933 50.656 20.023 1.00 51.04 C ATOM 338 OD1 ASN A 37 94.857 50.762 21.247 1.00 43.31 O ATOM 339 ND2 ASN A 37 94.939 49.481 19.405 1.00 38.08 N ATOM 340 HD22 ASN A 37 95.005 49.439 18.368 1.00 0.00 H ATOM 341 HD21 ASN A 37 94.878 48.602 19.958 1.00 0.00 H ATOM 342 H ASN A 37 92.813 51.452 17.725 1.00 0.00 H ATOM 343 N LEU A 38 93.978 55.140 19.289 1.00 28.41 N ATOM 344 CA LEU A 38 94.255 56.472 18.780 1.00 36.23 C ATOM 345 C LEU A 38 95.355 57.118 19.612 1.00 31.92 C ATOM 346 O LEU A 38 95.380 56.951 20.837 1.00 38.36 O ATOM 347 CB LEU A 38 93.005 57.361 18.822 1.00 34.75 C ATOM 348 CG LEU A 38 92.134 57.462 17.570 1.00 35.00 C ATOM 349 CD1 LEU A 38 90.970 58.413 17.828 1.00 31.41 C ATOM 350 CD2 LEU A 38 92.931 57.927 16.362 1.00 33.41 C ATOM 351 H LEU A 38 93.791 55.021 20.305 1.00 0.00 H ATOM 352 N PRO A 39 96.272 57.854 18.987 1.00 36.60 N ATOM 353 CA PRO A 39 97.299 58.549 19.770 1.00 38.79 C ATOM 354 C PRO A 39 96.710 59.690 20.585 1.00 33.90 C ATOM 355 O PRO A 39 95.621 60.198 20.310 1.00 39.57 O ATOM 356 CB PRO A 39 98.269 59.078 18.706 1.00 45.21 C ATOM 357 CG PRO A 39 97.968 58.300 17.469 1.00 41.61 C ATOM 358 CD PRO A 39 96.517 57.975 17.539 1.00 32.66 C ATOM 359 N GLY A 40 97.466 60.101 21.602 1.00 58.18 N ATOM 360 CA GLY A 40 97.109 61.263 22.391 1.00 61.48 C ATOM 361 C GLY A 40 96.250 60.934 23.593 1.00 51.60 C ATOM 362 O GLY A 40 95.813 59.801 23.817 1.00 43.88 O ATOM 363 H GLY A 40 98.333 59.576 21.835 1.00 0.00 H ATOM 364 N ARG A 41 95.998 61.973 24.384 1.00 39.54 N ATOM 365 CA ARG A 41 95.237 61.830 25.611 1.00 43.97 C ATOM 366 C ARG A 41 93.741 61.753 25.317 1.00 36.70 C ATOM 367 O ARG A 41 93.260 62.166 24.258 1.00 30.40 O ATOM 368 CB ARG A 41 95.522 62.997 26.556 1.00 35.55 C ATOM 369 H ARG A 41 96.356 62.912 24.116 1.00 0.00 H ATOM 370 N TRP A 42 93.005 61.211 26.282 1.00 39.11 N ATOM 371 CA TRP A 42 91.561 61.091 26.177 1.00 32.61 C ATOM 372 C TRP A 42 90.967 61.250 27.567 1.00 33.92 C ATOM 373 O TRP A 42 91.674 61.213 28.576 1.00 33.86 O ATOM 374 CB TRP A 42 91.157 59.751 25.557 1.00 29.94 C ATOM 375 CG TRP A 42 91.727 58.567 26.260 1.00 29.36 C ATOM 376 CD1 TRP A 42 92.907 57.945 25.987 1.00 28.15 C ATOM 377 CD2 TRP A 42 91.137 57.853 27.350 1.00 33.23 C ATOM 378 NE1 TRP A 42 93.094 56.887 26.843 1.00 28.92 N ATOM 379 CE2 TRP A 42 92.020 56.809 27.690 1.00 34.18 C ATOM 380 CE3 TRP A 42 89.950 57.995 28.073 1.00 29.58 C ATOM 381 CZ2 TRP A 42 91.752 55.912 28.720 1.00 31.71 C ATOM 382 CZ3 TRP A 42 89.685 57.104 29.096 1.00 32.23 C ATOM 383 CH2 TRP A 42 90.582 56.076 29.410 1.00 32.84 C ATOM 384 HE1 TRP A 42 93.916 56.250 26.847 1.00 0.00 H ATOM 385 H TRP A 42 93.478 60.862 27.140 1.00 0.00 H ATOM 386 N LYS A 43 89.650 61.436 27.609 1.00 29.17 N ATOM 387 CA LYS A 43 88.941 61.581 28.868 1.00 23.14 C ATOM 388 C LYS A 43 87.724 60.663 28.864 1.00 26.88 C ATOM 389 O LYS A 43 87.073 60.519 27.824 1.00 20.65 O ATOM 390 CB LYS A 43 88.495 63.035 29.084 1.00 28.55 C ATOM 391 H LYS A 43 89.115 61.479 26.718 1.00 0.00 H ATOM 392 N PRO A 44 87.393 60.034 29.994 1.00 25.51 N ATOM 393 CA PRO A 44 86.191 59.188 30.024 1.00 25.73 C ATOM 394 C PRO A 44 84.936 60.041 29.956 1.00 35.19 C ATOM 395 O PRO A 44 84.794 61.018 30.695 1.00 24.99 O ATOM 396 CB PRO A 44 86.294 58.455 31.370 1.00 29.57 C ATOM 397 CG PRO A 44 87.648 58.769 31.911 1.00 35.99 C ATOM 398 CD PRO A 44 88.052 60.068 31.309 1.00 25.99 C ATOM 399 N LYS A 45 84.017 59.653 29.073 1.00 19.76 N ATOM 400 CA LYS A 45 82.747 60.343 28.915 1.00 21.34 C ATOM 401 C LYS A 45 81.635 59.314 28.772 1.00 18.74 C ATOM 402 O LYS A 45 81.881 58.117 28.600 1.00 21.43 O ATOM 403 CB LYS A 45 82.764 61.283 27.702 1.00 22.31 C ATOM 404 H LYS A 45 84.215 58.826 28.475 1.00 0.00 H ATOM 405 N MET A 46 80.400 59.800 28.862 1.00 17.40 N ATOM 406 CA MET A 46 79.205 59.004 28.628 1.00 20.64 C ATOM 407 C MET A 46 78.426 59.606 27.466 1.00 22.86 C ATOM 408 O MET A 46 78.397 60.827 27.294 1.00 21.03 O ATOM 409 CB MET A 46 78.305 58.970 29.865 1.00 19.74 C ATOM 410 CG MET A 46 78.993 58.541 31.145 1.00 31.90 C ATOM 411 SD MET A 46 79.373 56.785 31.179 1.00 31.61 S ATOM 412 CE MET A 46 77.731 56.073 31.193 1.00 23.66 C ATOM 413 H MET A 46 80.282 60.802 29.113 1.00 0.00 H ATOM 414 N ILE A 47 77.789 58.743 26.672 1.00 18.48 N ATOM 415 CA ILE A 47 76.891 59.178 25.603 1.00 19.69 C ATOM 416 C ILE A 47 75.679 58.263 25.573 1.00 16.14 C ATOM 417 O ILE A 47 75.800 57.047 25.763 1.00 20.82 O ATOM 418 CB ILE A 47 77.574 59.186 24.219 1.00 19.85 C ATOM 419 CG1 ILE A 47 78.144 57.799 23.886 1.00 18.13 C ATOM 420 CG2 ILE A 47 78.631 60.240 24.167 1.00 41.94 C ATOM 421 CD1 ILE A 47 78.621 57.640 22.463 1.00 30.66 C ATOM 422 H ILE A 47 77.937 57.724 26.819 1.00 0.00 H ATOM 423 N GLY A 48 74.516 58.845 25.301 1.00 11.01 N ATOM 424 CA GLY A 48 73.257 58.116 25.270 1.00 21.35 C ATOM 425 C GLY A 48 72.741 57.963 23.846 1.00 27.86 C ATOM 426 O GLY A 48 72.828 58.896 23.042 1.00 24.81 O ATOM 427 H GLY A 48 74.505 59.866 25.102 1.00 0.00 H ATOM 428 N GLY A 49 72.211 56.779 23.553 1.00 15.41 N ATOM 429 CA GLY A 49 71.586 56.502 22.275 1.00 22.65 C ATOM 430 C GLY A 49 70.176 55.971 22.444 1.00 24.68 C ATOM 431 O GLY A 49 69.575 56.118 23.512 1.00 13.97 O ATOM 432 H GLY A 49 72.246 56.024 24.267 1.00 0.00 H ATOM 433 N ILE A 50 69.637 55.337 21.402 1.00 13.82 N ATOM 434 CA ILE A 50 68.257 54.871 21.469 1.00 12.67 C ATOM 435 C ILE A 50 68.075 53.861 22.593 1.00 15.94 C ATOM 436 O ILE A 50 66.974 53.722 23.138 1.00 14.19 O ATOM 437 CB ILE A 50 67.823 54.287 20.110 1.00 18.09 C ATOM 438 CG1 ILE A 50 66.302 54.132 20.064 1.00 22.13 C ATOM 439 CG2 ILE A 50 68.515 52.951 19.843 1.00 20.28 C ATOM 440 CD1 ILE A 50 65.757 53.830 18.684 1.00 25.11 C ATOM 441 H ILE A 50 70.200 55.175 20.543 1.00 0.00 H ATOM 442 N GLY A 51 69.137 53.145 22.962 1.00 12.47 N ATOM 443 CA GLY A 51 69.009 52.037 23.890 1.00 17.41 C ATOM 444 C GLY A 51 69.555 52.278 25.282 1.00 21.24 C ATOM 445 O GLY A 51 69.474 51.393 26.138 1.00 20.28 O ATOM 446 H GLY A 51 70.073 53.385 22.578 1.00 0.00 H ATOM 447 N GLY A 52 70.106 53.456 25.531 1.00 18.40 N ATOM 448 CA GLY A 52 70.686 53.763 26.818 1.00 19.89 C ATOM 449 C GLY A 52 72.019 54.455 26.644 1.00 21.19 C ATOM 450 O GLY A 52 72.293 55.049 25.603 1.00 15.41 O ATOM 451 H GLY A 52 70.122 54.177 24.782 1.00 0.00 H ATOM 452 N PHE A 53 72.853 54.360 27.678 1.00 16.31 N ATOM 453 CA PHE A 53 74.123 55.066 27.726 1.00 14.84 C ATOM 454 C PHE A 53 75.287 54.087 27.756 1.00 17.18 C ATOM 455 O PHE A 53 75.186 52.986 28.306 1.00 16.63 O ATOM 456 CB PHE A 53 74.196 55.982 28.949 1.00 17.88 C ATOM 457 CG PHE A 53 73.298 57.174 28.858 1.00 18.50 C ATOM 458 CD1 PHE A 53 71.932 57.035 29.011 1.00 20.35 C ATOM 459 CD2 PHE A 53 73.816 58.434 28.616 1.00 20.52 C ATOM 460 CE1 PHE A 53 71.099 58.126 28.925 1.00 24.75 C ATOM 461 CE2 PHE A 53 72.984 59.531 28.532 1.00 20.59 C ATOM 462 CZ PHE A 53 71.623 59.374 28.686 1.00 25.15 C ATOM 463 H PHE A 53 72.585 53.757 28.482 1.00 0.00 H ATOM 464 N ILE A 54 76.401 54.515 27.161 1.00 16.49 N ATOM 465 CA ILE A 54 77.632 53.741 27.133 1.00 17.56 C ATOM 466 C ILE A 54 78.787 54.640 27.554 1.00 21.88 C ATOM 467 O ILE A 54 78.714 55.868 27.474 1.00 14.70 O ATOM 468 CB ILE A 54 77.912 53.133 25.738 1.00 19.26 C ATOM 469 CG1 ILE A 54 78.079 54.238 24.683 1.00 19.29 C ATOM 470 CG2 ILE A 54 76.790 52.173 25.355 1.00 21.37 C ATOM 471 CD1 ILE A 54 78.550 53.735 23.322 1.00 21.76 C ATOM 472 H ILE A 54 76.389 55.445 26.696 1.00 0.00 H ATOM 473 N LYS A 55 79.864 54.004 28.001 1.00 20.50 N ATOM 474 CA LYS A 55 81.094 54.703 28.338 1.00 22.86 C ATOM 475 C LYS A 55 81.961 54.794 27.092 1.00 20.66 C ATOM 476 O LYS A 55 82.117 53.807 26.368 1.00 18.74 O ATOM 477 CB LYS A 55 81.843 53.978 29.459 1.00 16.29 C ATOM 478 H LYS A 55 79.826 52.971 28.114 1.00 0.00 H ATOM 479 N VAL A 56 82.521 55.979 26.842 1.00 18.10 N ATOM 480 CA VAL A 56 83.368 56.206 25.681 1.00 19.87 C ATOM 481 C VAL A 56 84.607 56.979 26.107 1.00 21.06 C ATOM 482 O VAL A 56 84.635 57.631 27.153 1.00 19.62 O ATOM 483 CB VAL A 56 82.633 56.971 24.555 1.00 24.26 C ATOM 484 CG1 VAL A 56 81.475 56.150 24.029 1.00 18.77 C ATOM 485 CG2 VAL A 56 82.144 58.325 25.049 1.00 13.69 C ATOM 486 H VAL A 56 82.346 56.766 27.499 1.00 0.00 H ATOM 487 N ARG A 57 85.639 56.891 25.275 1.00 16.98 N ATOM 488 CA ARG A 57 86.844 57.695 25.420 1.00 18.91 C ATOM 489 C ARG A 57 86.725 58.876 24.469 1.00 20.26 C ATOM 490 O ARG A 57 86.484 58.690 23.272 1.00 21.49 O ATOM 491 CB ARG A 57 88.096 56.870 25.117 1.00 26.51 C ATOM 492 CG ARG A 57 88.120 55.517 25.837 1.00 28.96 C ATOM 493 CD ARG A 57 89.495 54.846 25.817 1.00 29.47 C ATOM 494 NE ARG A 57 90.135 54.888 24.504 1.00 33.59 N ATOM 495 CZ ARG A 57 89.981 53.974 23.548 1.00 51.22 C ATOM 496 NH1 ARG A 57 90.617 54.118 22.393 1.00 43.91 N ATOM 497 NH2 ARG A 57 89.196 52.920 23.732 1.00 43.94 N ATOM 498 HE ARG A 57 90.759 55.694 24.300 1.00 0.00 H ATOM 499 HH12 ARG A 57 90.500 53.407 21.643 1.00 0.00 H ATOM 500 HH11 ARG A 57 91.232 54.942 22.237 1.00 0.00 H ATOM 501 HH22 ARG A 57 89.086 52.215 22.975 1.00 0.00 H ATOM 502 HH21 ARG A 57 88.691 52.799 24.633 1.00 0.00 H ATOM 503 H ARG A 57 85.584 56.217 24.485 1.00 0.00 H ATOM 504 N GLN A 58 86.860 60.084 25.001 1.00 23.40 N ATOM 505 CA GLN A 58 86.712 61.288 24.198 1.00 17.49 C ATOM 506 C GLN A 58 88.085 61.792 23.777 1.00 23.90 C ATOM 507 O GLN A 58 88.905 62.155 24.627 1.00 20.34 O ATOM 508 CB GLN A 58 85.967 62.368 24.973 1.00 16.44 C ATOM 509 CG GLN A 58 85.851 63.681 24.215 1.00 23.36 C ATOM 510 CD GLN A 58 85.016 64.700 24.952 1.00 22.88 C ATOM 511 OE1 GLN A 58 84.133 64.346 25.731 1.00 33.38 O ATOM 512 NE2 GLN A 58 85.292 65.976 24.713 1.00 33.11 N ATOM 513 HE22 GLN A 58 86.049 66.228 24.045 1.00 0.00 H ATOM 514 HE21 GLN A 58 84.752 66.724 25.193 1.00 0.00 H ATOM 515 H GLN A 58 87.076 60.172 26.014 1.00 0.00 H ATOM 516 N TYR A 59 88.321 61.820 22.469 1.00 18.91 N ATOM 517 CA TYR A 59 89.528 62.383 21.881 1.00 24.45 C ATOM 518 C TYR A 59 89.160 63.707 21.230 1.00 23.40 C ATOM 519 O TYR A 59 88.273 63.754 20.370 1.00 20.91 O ATOM 520 CB TYR A 59 90.136 61.442 20.843 1.00 18.25 C ATOM 521 CG TYR A 59 90.611 60.123 21.398 1.00 19.74 C ATOM 522 CD1 TYR A 59 89.725 59.074 21.599 1.00 25.11 C ATOM 523 CD2 TYR A 59 91.949 59.922 21.713 1.00 23.62 C ATOM 524 CE1 TYR A 59 90.155 57.864 22.102 1.00 27.91 C ATOM 525 CE2 TYR A 59 92.390 58.715 22.216 1.00 29.09 C ATOM 526 CZ TYR A 59 91.489 57.689 22.408 1.00 35.70 C ATOM 527 OH TYR A 59 91.919 56.482 22.909 1.00 27.68 O ATOM 528 HH TYR A 59 91.149 55.864 22.983 1.00 0.00 H ATOM 529 H TYR A 59 87.605 61.418 21.831 1.00 0.00 H ATOM 530 N ASP A 60 89.833 64.773 21.637 1.00 27.02 N ATOM 531 CA ASP A 60 89.552 66.099 21.117 1.00 24.51 C ATOM 532 C ASP A 60 90.544 66.462 20.023 1.00 22.76 C ATOM 533 O ASP A 60 91.678 65.976 19.996 1.00 18.88 O ATOM 534 CB ASP A 60 89.605 67.141 22.232 1.00 24.09 C ATOM 535 CG ASP A 60 88.454 67.006 23.202 1.00 33.88 C ATOM 536 OD1 ASP A 60 87.310 66.815 22.737 1.00 23.99 O ATOM 537 OD2 ASP A 60 88.692 67.077 24.425 1.00 34.75 O ATOM 538 H ASP A 60 90.583 64.657 22.348 1.00 0.00 H ATOM 539 N GLN A 61 90.089 67.317 19.111 1.00 24.10 N ATOM 540 CA GLN A 61 90.947 67.927 18.101 1.00 17.01 C ATOM 541 C GLN A 61 91.693 66.866 17.289 1.00 28.23 C ATOM 542 O GLN A 61 92.893 66.975 17.028 1.00 20.60 O ATOM 543 CB GLN A 61 91.917 68.910 18.755 1.00 24.60 C ATOM 544 CG GLN A 61 92.104 70.183 17.958 1.00 28.15 C ATOM 545 CD GLN A 61 92.846 71.247 18.734 1.00 27.75 C ATOM 546 OE1 GLN A 61 92.475 71.582 19.858 1.00 28.32 O ATOM 547 NE2 GLN A 61 93.904 71.782 18.139 1.00 18.70 N ATOM 548 HE22 GLN A 61 94.180 71.467 17.187 1.00 0.00 H ATOM 549 HE21 GLN A 61 94.457 72.517 18.624 1.00 0.00 H ATOM 550 H GLN A 61 89.078 67.561 19.118 1.00 0.00 H ATOM 551 N ILE A 62 90.958 65.836 16.876 1.00 20.45 N ATOM 552 CA ILE A 62 91.514 64.731 16.101 1.00 17.93 C ATOM 553 C ILE A 62 91.343 65.029 14.620 1.00 17.28 C ATOM 554 O ILE A 62 90.262 65.436 14.178 1.00 15.99 O ATOM 555 CB ILE A 62 90.832 63.401 16.470 1.00 18.86 C ATOM 556 CG1 ILE A 62 91.080 63.059 17.943 1.00 26.32 C ATOM 557 CG2 ILE A 62 91.312 62.266 15.561 1.00 20.50 C ATOM 558 CD1 ILE A 62 92.545 62.844 18.314 1.00 34.09 C ATOM 559 H ILE A 62 89.946 65.818 17.115 1.00 0.00 H ATOM 560 N LEU A 63 92.408 64.816 13.851 1.00 13.99 N ATOM 561 CA LEU A 63 92.327 64.927 12.401 1.00 18.55 C ATOM 562 C LEU A 63 91.588 63.726 11.827 1.00 27.01 C ATOM 563 O LEU A 63 91.925 62.577 12.127 1.00 20.32 O ATOM 564 CB LEU A 63 93.726 65.012 11.792 1.00 24.21 C ATOM 565 CG LEU A 63 94.410 66.382 11.757 1.00 28.41 C ATOM 566 CD1 LEU A 63 94.438 67.018 13.131 1.00 25.79 C ATOM 567 CD2 LEU A 63 95.825 66.254 11.209 1.00 39.07 C ATOM 568 H LEU A 63 93.315 64.566 14.294 1.00 0.00 H ATOM 569 N ILE A 64 90.585 63.991 10.995 1.00 15.60 N ATOM 570 CA ILE A 64 89.838 62.927 10.332 1.00 18.52 C ATOM 571 C ILE A 64 89.385 63.428 8.971 1.00 21.65 C ATOM 572 O ILE A 64 88.843 64.532 8.851 1.00 25.59 O ATOM 573 CB ILE A 64 88.631 62.456 11.169 1.00 26.12 C ATOM 574 CG1 ILE A 64 87.818 61.426 10.382 1.00 20.57 C ATOM 575 CG2 ILE A 64 87.756 63.642 11.561 1.00 27.43 C ATOM 576 CD1 ILE A 64 86.804 60.678 11.217 1.00 36.20 C ATOM 577 H ILE A 64 90.326 64.982 10.812 1.00 0.00 H ATOM 578 N GLU A 65 89.604 62.610 7.947 1.00 20.46 N ATOM 579 CA GLU A 65 89.207 62.922 6.581 1.00 17.51 C ATOM 580 C GLU A 65 88.019 62.049 6.205 1.00 24.08 C ATOM 581 O GLU A 65 88.060 60.827 6.385 1.00 22.02 O ATOM 582 CB GLU A 65 90.367 62.698 5.606 1.00 23.24 C ATOM 583 CG GLU A 65 90.068 63.130 4.172 1.00 33.07 C ATOM 584 CD GLU A 65 91.306 63.127 3.292 1.00 39.01 C ATOM 585 OE1 GLU A 65 92.312 62.500 3.683 1.00 21.20 O ATOM 586 OE2 GLU A 65 91.274 63.755 2.212 1.00 32.32 O ATOM 587 H GLU A 65 90.081 61.704 8.130 1.00 0.00 H ATOM 588 N ILE A 66 86.968 62.676 5.685 1.00 16.50 N ATOM 589 CA ILE A 66 85.696 62.010 5.421 1.00 15.81 C ATOM 590 C ILE A 66 85.400 62.174 3.940 1.00 17.89 C ATOM 591 O ILE A 66 85.118 63.286 3.477 1.00 20.17 O ATOM 592 CB ILE A 66 84.557 62.585 6.274 1.00 22.12 C ATOM 593 CG1 ILE A 66 84.916 62.521 7.761 1.00 22.29 C ATOM 594 CG2 ILE A 66 83.252 61.832 6.005 1.00 18.65 C ATOM 595 CD1 ILE A 66 84.115 63.460 8.620 1.00 14.64 C ATOM 596 H ILE A 66 87.056 63.687 5.456 1.00 0.00 H ATOM 597 N CYS A 67 85.459 61.071 3.197 1.00 20.04 N ATOM 598 CA CYS A 67 85.155 61.085 1.769 1.00 25.03 C ATOM 599 C CYS A 67 85.940 62.184 1.056 1.00 29.18 C ATOM 600 O CYS A 67 85.413 62.904 0.205 1.00 29.40 O ATOM 601 CB CYS A 67 83.650 61.250 1.539 1.00 25.12 C ATOM 602 SG CYS A 67 83.109 60.839 -0.126 1.00 44.39 S ATOM 603 H CYS A 67 85.730 60.173 3.647 1.00 0.00 H ATOM 604 N GLY A 68 87.215 62.323 1.418 1.00 23.79 N ATOM 605 CA GLY A 68 88.085 63.294 0.790 1.00 27.98 C ATOM 606 C GLY A 68 88.019 64.692 1.363 1.00 30.93 C ATOM 607 O GLY A 68 88.678 65.592 0.826 1.00 29.71 O ATOM 608 H GLY A 68 87.595 61.717 2.173 1.00 0.00 H ATOM 609 N HIS A 69 87.252 64.909 2.429 1.00 22.16 N ATOM 610 CA HIS A 69 87.118 66.217 3.057 1.00 22.43 C ATOM 611 C HIS A 69 87.687 66.149 4.465 1.00 25.55 C ATOM 612 O HIS A 69 87.384 65.219 5.219 1.00 19.41 O ATOM 613 CB HIS A 69 85.653 66.669 3.085 1.00 22.23 C ATOM 614 CG HIS A 69 85.072 66.911 1.727 1.00 28.89 C ATOM 615 ND1 HIS A 69 84.814 68.175 1.239 1.00 26.71 N ATOM 616 CD2 HIS A 69 84.707 66.049 0.748 1.00 24.94 C ATOM 617 CE1 HIS A 69 84.312 68.080 0.021 1.00 27.75 C ATOM 618 NE2 HIS A 69 84.239 66.801 -0.301 1.00 26.00 N ATOM 619 H HIS A 69 86.724 64.109 2.832 1.00 0.00 H ATOM 620 N LYS A 70 88.507 67.134 4.813 1.00 17.52 N ATOM 621 CA LYS A 70 89.227 67.135 6.075 1.00 18.70 C ATOM 622 C LYS A 70 88.407 67.800 7.173 1.00 24.11 C ATOM 623 O LYS A 70 87.709 68.790 6.940 1.00 19.92 O ATOM 624 CB LYS A 70 90.569 67.854 5.924 1.00 25.97 C ATOM 625 H LYS A 70 88.638 67.932 4.160 1.00 0.00 H ATOM 626 N ALA A 71 88.502 67.240 8.375 1.00 15.14 N ATOM 627 CA ALA A 71 87.882 67.801 9.564 1.00 16.11 C ATOM 628 C ALA A 71 88.833 67.614 10.734 1.00 21.32 C ATOM 629 O ALA A 71 89.737 66.776 10.694 1.00 18.47 O ATOM 630 CB ALA A 71 86.533 67.136 9.868 1.00 20.48 C ATOM 631 H ALA A 71 89.046 66.359 8.469 1.00 0.00 H ATOM 632 N ILE A 72 88.626 68.416 11.776 1.00 16.98 N ATOM 633 CA ILE A 72 89.406 68.324 13.006 1.00 14.59 C ATOM 634 C ILE A 72 88.446 68.569 14.159 1.00 19.13 C ATOM 635 O ILE A 72 87.992 69.700 14.358 1.00 18.05 O ATOM 636 CB ILE A 72 90.565 69.332 13.056 1.00 16.27 C ATOM 637 CG1 ILE A 72 91.452 69.200 11.811 1.00 16.20 C ATOM 638 CG2 ILE A 72 91.362 69.127 14.334 1.00 15.31 C ATOM 639 CD1 ILE A 72 92.622 70.191 11.750 1.00 21.37 C ATOM 640 H ILE A 72 87.879 69.137 11.711 1.00 0.00 H ATOM 641 N GLY A 73 88.147 67.531 14.924 1.00 17.16 N ATOM 642 CA GLY A 73 87.165 67.680 15.972 1.00 16.61 C ATOM 643 C GLY A 73 87.156 66.511 16.924 1.00 21.19 C ATOM 644 O GLY A 73 88.077 65.693 16.943 1.00 17.88 O ATOM 645 H GLY A 73 88.616 66.615 14.771 1.00 0.00 H ATOM 646 N THR A 74 86.093 66.450 17.719 1.00 18.56 N ATOM 647 CA THR A 74 85.984 65.450 18.768 1.00 18.32 C ATOM 648 C THR A 74 85.536 64.119 18.186 1.00 21.77 C ATOM 649 O THR A 74 84.621 64.058 17.359 1.00 12.93 O ATOM 650 CB THR A 74 84.999 65.910 19.845 1.00 18.25 C ATOM 651 OG1 THR A 74 85.479 67.120 20.441 1.00 20.51 O ATOM 652 CG2 THR A 74 84.841 64.859 20.935 1.00 22.17 C ATOM 653 HG1 THR A 74 86.365 66.956 20.850 1.00 0.00 H ATOM 654 H THR A 74 85.321 67.134 17.587 1.00 0.00 H ATOM 655 N VAL A 75 86.196 63.051 18.626 1.00 19.33 N ATOM 656 CA VAL A 75 85.864 61.688 18.230 1.00 17.72 C ATOM 657 C VAL A 75 85.726 60.865 19.500 1.00 19.87 C ATOM 658 O VAL A 75 86.658 60.806 20.312 1.00 16.24 O ATOM 659 CB VAL A 75 86.928 61.079 17.300 1.00 27.41 C ATOM 660 CG1 VAL A 75 86.608 59.622 16.987 1.00 19.59 C ATOM 661 CG2 VAL A 75 87.031 61.890 16.016 1.00 20.06 C ATOM 662 H VAL A 75 86.988 63.196 19.285 1.00 0.00 H ATOM 663 N LEU A 76 84.567 60.252 19.678 1.00 13.39 N ATOM 664 CA LEU A 76 84.309 59.359 20.796 1.00 17.09 C ATOM 665 C LEU A 76 84.522 57.921 20.344 1.00 16.92 C ATOM 666 O LEU A 76 84.120 57.546 19.239 1.00 15.90 O ATOM 667 CB LEU A 76 82.883 59.552 21.312 1.00 18.54 C ATOM 668 CG LEU A 76 82.501 61.015 21.534 1.00 16.61 C ATOM 669 CD1 LEU A 76 81.074 61.119 22.003 1.00 16.76 C ATOM 670 CD2 LEU A 76 83.412 61.665 22.550 1.00 19.47 C ATOM 671 H LEU A 76 83.807 60.416 18.988 1.00 0.00 H ATOM 672 N VAL A 77 85.160 57.123 21.199 1.00 14.80 N ATOM 673 CA VAL A 77 85.524 55.744 20.882 1.00 14.65 C ATOM 674 C VAL A 77 84.924 54.842 21.949 1.00 16.25 C ATOM 675 O VAL A 77 85.163 55.045 23.146 1.00 16.48 O ATOM 676 CB VAL A 77 87.049 55.558 20.800 1.00 19.65 C ATOM 677 CG1 VAL A 77 87.399 54.111 20.473 1.00 23.13 C ATOM 678 CG2 VAL A 77 87.644 56.490 19.760 1.00 23.04 C ATOM 679 H VAL A 77 85.411 57.499 22.136 1.00 0.00 H ATOM 680 N GLY A 78 84.151 53.846 21.520 1.00 17.72 N ATOM 681 CA GLY A 78 83.482 52.962 22.443 1.00 14.44 C ATOM 682 C GLY A 78 82.605 51.943 21.743 1.00 13.22 C ATOM 683 O GLY A 78 82.619 51.818 20.515 1.00 16.13 O ATOM 684 H GLY A 78 84.027 53.702 20.497 1.00 0.00 H ATOM 685 N PRO A 79 81.817 51.189 22.521 1.00 20.24 N ATOM 686 CA PRO A 79 81.015 50.083 21.962 1.00 15.40 C ATOM 687 C PRO A 79 79.750 50.560 21.255 1.00 16.13 C ATOM 688 O PRO A 79 78.624 50.201 21.614 1.00 19.00 O ATOM 689 CB PRO A 79 80.718 49.236 23.208 1.00 15.98 C ATOM 690 CG PRO A 79 80.682 50.217 24.325 1.00 18.16 C ATOM 691 CD PRO A 79 81.726 51.249 23.992 1.00 21.48 C ATOM 692 N THR A 80 79.937 51.382 20.224 1.00 17.81 N ATOM 693 CA THR A 80 78.845 51.715 19.325 1.00 12.01 C ATOM 694 C THR A 80 78.632 50.572 18.333 1.00 10.95 C ATOM 695 O THR A 80 79.585 49.880 17.963 1.00 18.34 O ATOM 696 CB THR A 80 79.137 53.013 18.568 1.00 13.05 C ATOM 697 OG1 THR A 80 78.109 53.246 17.602 1.00 17.28 O ATOM 698 CG2 THR A 80 80.480 52.953 17.846 1.00 15.85 C ATOM 699 HG1 THR A 80 78.081 52.491 16.963 1.00 0.00 H ATOM 700 H THR A 80 80.879 51.792 20.060 1.00 0.00 H ATOM 701 N PRO A 81 77.392 50.338 17.898 1.00 10.19 N ATOM 702 CA PRO A 81 77.156 49.232 16.952 1.00 11.55 C ATOM 703 C PRO A 81 77.814 49.432 15.601 1.00 15.28 C ATOM 704 O PRO A 81 78.137 48.446 14.929 1.00 14.85 O ATOM 705 CB PRO A 81 75.626 49.193 16.828 1.00 18.54 C ATOM 706 CG PRO A 81 75.170 50.534 17.247 1.00 22.23 C ATOM 707 CD PRO A 81 76.135 50.992 18.296 1.00 13.59 C ATOM 708 N VAL A 82 78.000 50.678 15.167 1.00 14.81 N ATOM 709 CA VAL A 82 78.647 50.975 13.894 1.00 15.93 C ATOM 710 C VAL A 82 79.342 52.324 14.027 1.00 15.98 C ATOM 711 O VAL A 82 78.943 53.168 14.835 1.00 15.67 O ATOM 712 CB VAL A 82 77.643 50.994 12.710 1.00 20.89 C ATOM 713 CG1 VAL A 82 76.817 49.705 12.646 1.00 28.77 C ATOM 714 CG2 VAL A 82 76.720 52.201 12.791 1.00 24.78 C ATOM 715 H VAL A 82 77.672 51.468 15.758 1.00 0.00 H ATOM 716 N ASN A 83 80.394 52.524 13.232 1.00 14.67 N ATOM 717 CA ASN A 83 81.034 53.832 13.149 1.00 14.51 C ATOM 718 C ASN A 83 80.052 54.853 12.592 1.00 11.59 C ATOM 719 O ASN A 83 79.543 54.685 11.479 1.00 12.60 O ATOM 720 CB ASN A 83 82.269 53.772 12.248 1.00 12.04 C ATOM 721 CG ASN A 83 83.349 52.846 12.773 1.00 15.19 C ATOM 722 OD1 ASN A 83 83.582 52.754 13.979 1.00 15.49 O ATOM 723 ND2 ASN A 83 84.026 52.162 11.857 1.00 18.91 N ATOM 724 HD22 ASN A 83 83.794 52.272 10.849 1.00 0.00 H ATOM 725 HD21 ASN A 83 84.788 51.517 12.148 1.00 0.00 H ATOM 726 H ASN A 83 80.763 51.736 12.663 1.00 0.00 H ATOM 727 N ILE A 84 79.809 55.927 13.338 1.00 11.21 N ATOM 728 CA ILE A 84 78.906 56.982 12.893 1.00 9.30 C ATOM 729 C ILE A 84 79.634 58.316 12.878 1.00 12.34 C ATOM 730 O ILE A 84 80.349 58.660 13.826 1.00 12.20 O ATOM 731 CB ILE A 84 77.647 57.056 13.778 1.00 10.75 C ATOM 732 CG1 ILE A 84 78.032 57.267 15.244 1.00 15.12 C ATOM 733 CG2 ILE A 84 76.852 55.775 13.605 1.00 11.96 C ATOM 734 CD1 ILE A 84 76.854 57.420 16.167 1.00 14.41 C ATOM 735 H ILE A 84 80.275 56.017 14.263 1.00 0.00 H ATOM 736 N ILE A 85 79.438 59.065 11.794 1.00 15.25 N ATOM 737 CA ILE A 85 79.911 60.440 11.671 1.00 9.41 C ATOM 738 C ILE A 85 78.748 61.360 12.016 1.00 12.48 C ATOM 739 O ILE A 85 77.720 61.359 11.325 1.00 14.56 O ATOM 740 CB ILE A 85 80.435 60.738 10.257 1.00 12.22 C ATOM 741 CG1 ILE A 85 81.521 59.741 9.854 1.00 9.48 C ATOM 742 CG2 ILE A 85 80.972 62.170 10.174 1.00 11.70 C ATOM 743 CD1 ILE A 85 82.735 59.757 10.756 1.00 15.78 C ATOM 744 H ILE A 85 78.921 58.648 10.994 1.00 0.00 H ATOM 745 N GLY A 86 78.915 62.158 13.072 1.00 9.99 N ATOM 746 CA GLY A 86 77.860 63.007 13.577 1.00 12.17 C ATOM 747 C GLY A 86 78.000 64.455 13.123 1.00 10.15 C ATOM 748 O GLY A 86 78.929 64.837 12.418 1.00 11.05 O ATOM 749 H GLY A 86 79.839 62.170 13.550 1.00 0.00 H ATOM 750 N ARG A 87 77.046 65.277 13.574 1.00 11.25 N ATOM 751 CA ARG A 87 76.945 66.642 13.067 1.00 11.50 C ATOM 752 C ARG A 87 78.185 67.466 13.395 1.00 11.92 C ATOM 753 O ARG A 87 78.509 68.407 12.661 1.00 13.19 O ATOM 754 CB ARG A 87 75.683 67.319 13.615 1.00 9.71 C ATOM 755 CG ARG A 87 74.390 66.733 13.053 1.00 8.46 C ATOM 756 CD ARG A 87 73.155 67.531 13.477 1.00 10.96 C ATOM 757 NE ARG A 87 72.991 67.518 14.928 1.00 14.61 N ATOM 758 CZ ARG A 87 73.378 68.486 15.758 1.00 21.55 C ATOM 759 NH1 ARG A 87 73.953 69.599 15.312 1.00 13.45 N ATOM 760 NH2 ARG A 87 73.181 68.335 17.057 1.00 11.42 N ATOM 761 HE ARG A 87 72.534 66.684 15.349 1.00 0.00 H ATOM 762 HH12 ARG A 87 74.245 70.338 15.983 1.00 0.00 H ATOM 763 HH11 ARG A 87 74.111 69.730 14.292 1.00 0.00 H ATOM 764 HH22 ARG A 87 73.477 69.081 17.718 1.00 0.00 H ATOM 765 HH21 ARG A 87 72.730 67.470 17.417 1.00 0.00 H ATOM 766 H ARG A 87 76.372 64.941 14.291 1.00 0.00 H ATOM 767 N ASN A 88 78.903 67.128 14.470 1.00 14.52 N ATOM 768 CA ASN A 88 80.078 67.918 14.828 1.00 12.46 C ATOM 769 C ASN A 88 81.112 67.904 13.708 1.00 12.83 C ATOM 770 O ASN A 88 81.838 68.888 13.522 1.00 13.90 O ATOM 771 CB ASN A 88 80.685 67.415 16.143 1.00 14.48 C ATOM 772 CG ASN A 88 81.348 66.053 16.009 1.00 15.27 C ATOM 773 OD1 ASN A 88 80.754 65.101 15.501 1.00 11.30 O ATOM 774 ND2 ASN A 88 82.589 65.958 16.470 1.00 14.33 N ATOM 775 HD22 ASN A 88 83.052 66.788 16.891 1.00 0.00 H ATOM 776 HD21 ASN A 88 83.098 65.053 16.410 1.00 0.00 H ATOM 777 H ASN A 88 78.627 66.308 15.048 1.00 0.00 H ATOM 778 N LEU A 89 81.175 66.817 12.936 1.00 11.08 N ATOM 779 CA LEU A 89 82.059 66.733 11.779 1.00 13.48 C ATOM 780 C LEU A 89 81.343 66.967 10.457 1.00 14.68 C ATOM 781 O LEU A 89 81.949 67.512 9.528 1.00 12.73 O ATOM 782 CB LEU A 89 82.749 65.363 11.733 1.00 16.63 C ATOM 783 CG LEU A 89 83.577 64.991 12.968 1.00 15.59 C ATOM 784 CD1 LEU A 89 84.273 63.652 12.770 1.00 13.93 C ATOM 785 CD2 LEU A 89 84.595 66.081 13.304 1.00 22.16 C ATOM 786 H LEU A 89 80.573 66.001 13.168 1.00 0.00 H ATOM 787 N LEU A 90 80.068 66.583 10.347 1.00 12.72 N ATOM 788 CA LEU A 90 79.340 66.816 9.104 1.00 12.63 C ATOM 789 C LEU A 90 79.298 68.301 8.770 1.00 14.01 C ATOM 790 O LEU A 90 79.355 68.683 7.597 1.00 13.00 O ATOM 791 CB LEU A 90 77.922 66.256 9.205 1.00 11.87 C ATOM 792 CG LEU A 90 77.778 64.739 9.337 1.00 12.56 C ATOM 793 CD1 LEU A 90 76.337 64.392 9.586 1.00 15.46 C ATOM 794 CD2 LEU A 90 78.282 64.014 8.103 1.00 15.57 C ATOM 795 H LEU A 90 79.594 66.118 11.148 1.00 0.00 H ATOM 796 N THR A 91 79.184 69.156 9.788 1.00 12.93 N ATOM 797 CA THR A 91 79.207 70.592 9.544 1.00 13.71 C ATOM 798 C THR A 91 80.546 71.024 8.959 1.00 15.81 C ATOM 799 O THR A 91 80.595 71.876 8.064 1.00 15.85 O ATOM 800 CB THR A 91 78.924 71.359 10.838 1.00 13.81 C ATOM 801 OG1 THR A 91 79.837 70.942 11.857 1.00 14.79 O ATOM 802 CG2 THR A 91 77.500 71.131 11.311 1.00 14.03 C ATOM 803 HG1 THR A 91 79.649 71.441 12.691 1.00 0.00 H ATOM 804 H THR A 91 79.078 68.796 10.758 1.00 0.00 H ATOM 805 N GLN A 92 81.645 70.434 9.441 1.00 16.38 N ATOM 806 CA GLN A 92 82.971 70.846 8.987 1.00 15.03 C ATOM 807 C GLN A 92 83.193 70.544 7.510 1.00 18.28 C ATOM 808 O GLN A 92 83.914 71.286 6.833 1.00 19.83 O ATOM 809 CB GLN A 92 84.060 70.165 9.821 1.00 10.77 C ATOM 810 CG GLN A 92 84.079 70.589 11.284 1.00 9.77 C ATOM 811 CD GLN A 92 85.392 70.285 11.975 1.00 13.10 C ATOM 812 OE1 GLN A 92 86.408 70.026 11.328 1.00 20.22 O ATOM 813 NE2 GLN A 92 85.378 70.318 13.301 1.00 13.28 N ATOM 814 HE22 GLN A 92 84.497 70.541 13.806 1.00 0.00 H ATOM 815 HE21 GLN A 92 86.248 70.121 13.835 1.00 0.00 H ATOM 816 H GLN A 92 81.555 69.675 10.146 1.00 0.00 H ATOM 817 N ILE A 93 82.604 69.470 6.988 1.00 15.52 N ATOM 818 CA ILE A 93 82.808 69.131 5.582 1.00 15.11 C ATOM 819 C ILE A 93 81.740 69.807 4.731 1.00 20.20 C ATOM 820 O ILE A 93 81.666 69.583 3.517 1.00 14.33 O ATOM 821 CB ILE A 93 82.821 67.607 5.361 1.00 18.76 C ATOM 822 CG1 ILE A 93 81.489 66.975 5.767 1.00 19.06 C ATOM 823 CG2 ILE A 93 83.962 66.987 6.146 1.00 17.44 C ATOM 824 CD1 ILE A 93 81.381 65.518 5.383 1.00 15.56 C ATOM 825 H ILE A 93 81.997 68.871 7.583 1.00 0.00 H ATOM 826 N GLY A 94 80.918 70.649 5.354 1.00 16.37 N ATOM 827 CA GLY A 94 79.899 71.377 4.623 1.00 16.32 C ATOM 828 C GLY A 94 78.693 70.557 4.227 1.00 25.00 C ATOM 829 O GLY A 94 78.065 70.842 3.202 1.00 18.18 O ATOM 830 H GLY A 94 81.008 70.787 6.381 1.00 0.00 H ATOM 831 N CYS A 95 78.336 69.554 5.019 1.00 17.43 N ATOM 832 CA CYS A 95 77.243 68.663 4.664 1.00 14.31 C ATOM 833 C CYS A 95 75.897 69.284 5.035 1.00 17.34 C ATOM 834 O CYS A 95 75.727 69.806 6.142 1.00 26.61 O ATOM 835 CB CYS A 95 77.432 67.318 5.364 1.00 16.17 C ATOM 836 SG CYS A 95 76.284 66.063 4.809 1.00 24.67 S ATOM 837 H CYS A 95 78.848 69.402 5.911 1.00 0.00 H ATOM 838 N THR A 96 74.950 69.248 4.093 1.00 17.79 N ATOM 839 CA THR A 96 73.577 69.674 4.333 1.00 13.63 C ATOM 840 C THR A 96 72.602 68.609 3.846 1.00 13.85 C ATOM 841 O THR A 96 72.940 67.748 3.030 1.00 14.96 O ATOM 842 CB THR A 96 73.243 70.999 3.623 1.00 17.03 C ATOM 843 OG1 THR A 96 73.302 70.815 2.201 1.00 16.97 O ATOM 844 CG2 THR A 96 74.205 72.106 4.047 1.00 16.34 C ATOM 845 HG1 THR A 96 74.213 70.525 1.944 1.00 0.00 H ATOM 846 H THR A 96 75.204 68.900 3.146 1.00 0.00 H ATOM 847 N LEU A 97 71.376 68.689 4.361 1.00 15.59 N ATOM 848 CA LEU A 97 70.251 67.908 3.865 1.00 14.55 C ATOM 849 C LEU A 97 69.458 68.760 2.888 1.00 20.01 C ATOM 850 O LEU A 97 69.286 69.963 3.101 1.00 17.94 O ATOM 851 CB LEU A 97 69.342 67.458 5.008 1.00 12.12 C ATOM 852 CG LEU A 97 69.869 66.354 5.919 1.00 9.07 C ATOM 853 CD1 LEU A 97 69.027 66.291 7.171 1.00 14.79 C ATOM 854 CD2 LEU A 97 69.860 65.020 5.190 1.00 15.19 C ATOM 855 H LEU A 97 71.214 69.340 5.155 1.00 0.00 H ATOM 856 N ASN A 98 68.970 68.132 1.821 1.00 18.55 N ATOM 857 CA ASN A 98 68.274 68.851 0.764 1.00 21.19 C ATOM 858 C ASN A 98 67.124 68.008 0.241 1.00 21.60 C ATOM 859 O ASN A 98 67.315 66.834 -0.089 1.00 21.80 O ATOM 860 CB ASN A 98 69.233 69.196 -0.381 1.00 20.22 C ATOM 861 CG ASN A 98 70.359 70.115 0.055 1.00 20.00 C ATOM 862 OD1 ASN A 98 70.260 71.335 -0.067 1.00 31.15 O ATOM 863 ND2 ASN A 98 71.437 69.531 0.570 1.00 22.86 N ATOM 864 HD22 ASN A 98 71.477 68.495 0.654 1.00 0.00 H ATOM 865 HD21 ASN A 98 72.240 70.110 0.889 1.00 0.00 H ATOM 866 H ASN A 98 69.089 67.102 1.740 1.00 0.00 H ATOM 867 N PHE A 99 65.939 68.607 0.164 1.00 22.06 N ATOM 868 CA PHE A 99 64.796 67.952 -0.465 1.00 23.78 C ATOM 869 C PHE A 99 63.832 68.981 -1.045 1.00 31.81 C ATOM 870 O PHE A 99 62.794 68.623 -1.602 1.00 30.96 O ATOM 871 CB PHE A 99 64.065 67.035 0.528 1.00 25.75 C ATOM 872 CG PHE A 99 63.556 67.732 1.761 1.00 26.00 C ATOM 873 CD1 PHE A 99 64.378 67.896 2.861 1.00 29.24 C ATOM 874 CD2 PHE A 99 62.248 68.187 1.834 1.00 28.73 C ATOM 875 CE1 PHE A 99 63.916 68.521 4.003 1.00 31.09 C ATOM 876 CE2 PHE A 99 61.782 68.813 2.977 1.00 34.95 C ATOM 877 CZ PHE A 99 62.619 68.978 4.062 1.00 33.74 C ATOM 878 OXT PHE A 99 64.070 70.190 -0.981 1.00 33.58 O ATOM 879 H PHE A 99 65.824 69.562 0.560 1.00 0.00 H TER 880 PHE A 99 ATOM 881 N PRO B 1 63.685 72.361 0.602 1.00 38.36 N ATOM 882 CA PRO B 1 64.626 73.301 1.217 1.00 31.60 C ATOM 883 C PRO B 1 65.996 72.688 1.486 1.00 30.82 C ATOM 884 O PRO B 1 66.227 71.514 1.190 1.00 21.24 O ATOM 885 CB PRO B 1 63.935 73.671 2.533 1.00 33.88 C ATOM 886 CG PRO B 1 63.115 72.485 2.864 1.00 39.28 C ATOM 887 CD PRO B 1 62.632 71.948 1.545 1.00 29.18 C ATOM 888 HN2 PRO B 1 64.207 71.518 0.289 1.00 0.00 H ATOM 889 HN1 PRO B 1 63.241 72.818 -0.220 1.00 0.00 H ATOM 890 N GLN B 2 66.896 73.492 2.041 1.00 21.72 N ATOM 891 CA GLN B 2 68.219 73.040 2.445 1.00 23.40 C ATOM 892 C GLN B 2 68.358 73.221 3.946 1.00 27.48 C ATOM 893 O GLN B 2 68.123 74.316 4.467 1.00 25.95 O ATOM 894 CB GLN B 2 69.318 73.816 1.718 1.00 25.34 C ATOM 895 CG GLN B 2 70.717 73.460 2.194 1.00 24.16 C ATOM 896 CD GLN B 2 71.803 74.161 1.412 1.00 28.24 C ATOM 897 OE1 GLN B 2 72.393 75.131 1.885 1.00 37.50 O ATOM 898 NE2 GLN B 2 72.079 73.670 0.210 1.00 32.34 N ATOM 899 HE22 GLN B 2 71.553 72.847 -0.149 1.00 0.00 H ATOM 900 HE21 GLN B 2 72.821 74.108 -0.373 1.00 0.00 H ATOM 901 H GLN B 2 66.644 74.489 2.194 1.00 0.00 H ATOM 902 N ILE B 3 68.745 72.155 4.637 1.00 20.03 N ATOM 903 CA ILE B 3 68.861 72.163 6.089 1.00 20.34 C ATOM 904 C ILE B 3 70.330 72.009 6.445 1.00 23.63 C ATOM 905 O ILE B 3 70.958 70.998 6.107 1.00 12.75 O ATOM 906 CB ILE B 3 68.010 71.058 6.730 1.00 20.25 C ATOM 907 CG1 ILE B 3 66.541 71.247 6.347 1.00 26.29 C ATOM 908 CG2 ILE B 3 68.164 71.079 8.240 1.00 21.85 C ATOM 909 CD1 ILE B 3 65.640 70.125 6.784 1.00 29.02 C ATOM 910 H ILE B 3 68.974 71.281 4.122 1.00 0.00 H ATOM 911 N THR B 4 70.880 73.014 7.117 1.00 16.99 N ATOM 912 CA THR B 4 72.223 72.908 7.652 1.00 13.49 C ATOM 913 C THR B 4 72.181 72.098 8.944 1.00 10.84 C ATOM 914 O THR B 4 71.118 71.853 9.522 1.00 15.68 O ATOM 915 CB THR B 4 72.825 74.297 7.884 1.00 21.28 C ATOM 916 OG1 THR B 4 71.979 75.053 8.758 1.00 26.31 O ATOM 917 CG2 THR B 4 72.977 75.044 6.556 1.00 17.65 C ATOM 918 HG1 THR B 4 72.374 75.949 8.904 1.00 0.00 H ATOM 919 H THR B 4 70.339 73.890 7.262 1.00 0.00 H ATOM 920 N LEU B 5 73.356 71.662 9.390 1.00 9.46 N ATOM 921 CA LEU B 5 73.452 70.730 10.506 1.00 15.82 C ATOM 922 C LEU B 5 74.106 71.351 11.736 1.00 13.54 C ATOM 923 O LEU B 5 74.617 70.622 12.592 1.00 11.64 O ATOM 924 CB LEU B 5 74.208 69.477 10.061 1.00 14.98 C ATOM 925 CG LEU B 5 73.548 68.747 8.881 1.00 16.99 C ATOM 926 CD1 LEU B 5 74.429 67.624 8.361 1.00 16.96 C ATOM 927 CD2 LEU B 5 72.189 68.195 9.274 1.00 14.89 C ATOM 928 H LEU B 5 74.228 71.995 8.931 1.00 0.00 H ATOM 929 N TRP B 6 74.084 72.684 11.853 1.00 11.22 N ATOM 930 CA TRP B 6 74.544 73.327 13.082 1.00 15.35 C ATOM 931 C TRP B 6 73.719 72.868 14.275 1.00 14.27 C ATOM 932 O TRP B 6 74.229 72.768 15.398 1.00 16.91 O ATOM 933 CB TRP B 6 74.458 74.847 12.958 1.00 15.76 C ATOM 934 CG TRP B 6 75.350 75.455 11.925 1.00 15.66 C ATOM 935 CD1 TRP B 6 74.964 76.098 10.788 1.00 18.25 C ATOM 936 CD2 TRP B 6 76.783 75.499 11.945 1.00 15.33 C ATOM 937 NE1 TRP B 6 76.066 76.538 10.096 1.00 15.89 N ATOM 938 CE2 TRP B 6 77.196 76.181 10.786 1.00 16.82 C ATOM 939 CE3 TRP B 6 77.755 75.023 12.829 1.00 16.51 C ATOM 940 CZ2 TRP B 6 78.536 76.400 10.485 1.00 22.05 C ATOM 941 CZ3 TRP B 6 79.088 75.243 12.530 1.00 21.10 C ATOM 942 CH2 TRP B 6 79.466 75.925 11.368 1.00 16.34 C ATOM 943 HE1 TRP B 6 76.047 77.057 9.195 1.00 0.00 H ATOM 944 H TRP B 6 73.737 73.266 11.064 1.00 0.00 H ATOM 945 N LYS B 7 72.436 72.606 14.054 1.00 12.50 N ATOM 946 CA LYS B 7 71.543 72.115 15.089 1.00 11.89 C ATOM 947 C LYS B 7 70.844 70.867 14.574 1.00 15.18 C ATOM 948 O LYS B 7 70.927 70.523 13.392 1.00 15.12 O ATOM 949 CB LYS B 7 70.521 73.185 15.497 1.00 19.62 C ATOM 950 CG LYS B 7 69.493 73.503 14.429 1.00 24.71 C ATOM 951 CD LYS B 7 68.800 74.827 14.713 1.00 31.14 C ATOM 952 CE LYS B 7 67.329 74.785 14.348 1.00 32.40 C ATOM 953 NZ LYS B 7 66.645 76.064 14.698 1.00 50.53 N ATOM 954 HZ1 LYS B 7 66.727 76.231 15.721 1.00 0.00 H ATOM 955 HZ2 LYS B 7 67.092 76.848 14.181 1.00 0.00 H ATOM 956 HZ3 LYS B 7 65.641 76.002 14.435 1.00 0.00 H ATOM 957 H LYS B 7 72.054 72.759 13.099 1.00 0.00 H ATOM 958 N ARG B 8 70.156 70.182 15.476 1.00 13.67 N ATOM 959 CA ARG B 8 69.486 68.947 15.104 1.00 15.67 C ATOM 960 C ARG B 8 68.488 69.221 13.981 1.00 12.39 C ATOM 961 O ARG B 8 67.733 70.200 14.057 1.00 13.99 O ATOM 962 CB ARG B 8 68.773 68.344 16.310 1.00 14.28 C ATOM 963 CG ARG B 8 69.718 67.873 17.389 1.00 13.90 C ATOM 964 CD ARG B 8 68.995 67.090 18.481 1.00 15.93 C ATOM 965 NE ARG B 8 69.940 66.421 19.375 1.00 22.82 N ATOM 966 CZ ARG B 8 69.596 65.545 20.315 1.00 36.77 C ATOM 967 NH1 ARG B 8 68.323 65.220 20.494 1.00 30.27 N ATOM 968 NH2 ARG B 8 70.528 64.989 21.080 1.00 22.74 N ATOM 969 HE ARG B 8 70.950 66.646 19.268 1.00 0.00 H ATOM 970 HH12 ARG B 8 68.060 64.534 21.231 1.00 0.00 H ATOM 971 HH11 ARG B 8 67.588 65.651 19.898 1.00 0.00 H ATOM 972 HH22 ARG B 8 70.257 64.304 21.815 1.00 0.00 H ATOM 973 HH21 ARG B 8 71.529 65.238 20.945 1.00 0.00 H ATOM 974 H ARG B 8 70.095 70.530 16.454 1.00 0.00 H ATOM 975 N PRO B 9 68.453 68.393 12.929 1.00 10.25 N ATOM 976 CA PRO B 9 67.503 68.635 11.821 1.00 12.10 C ATOM 977 C PRO B 9 66.082 68.200 12.160 1.00 14.16 C ATOM 978 O PRO B 9 65.530 67.234 11.616 1.00 13.98 O ATOM 979 CB PRO B 9 68.116 67.817 10.683 1.00 11.03 C ATOM 980 CG PRO B 9 68.775 66.677 11.370 1.00 10.22 C ATOM 981 CD PRO B 9 69.332 67.241 12.651 1.00 13.49 C ATOM 982 N LEU B 10 65.462 68.939 13.078 1.00 10.52 N ATOM 983 CA LEU B 10 64.093 68.672 13.498 1.00 13.39 C ATOM 984 C LEU B 10 63.110 69.359 12.563 1.00 18.63 C ATOM 985 O LEU B 10 63.282 70.529 12.212 1.00 15.54 O ATOM 986 CB LEU B 10 63.860 69.161 14.928 1.00 14.02 C ATOM 987 CG LEU B 10 64.588 68.422 16.046 1.00 13.79 C ATOM 988 CD1 LEU B 10 64.468 69.184 17.361 1.00 25.70 C ATOM 989 CD2 LEU B 10 64.025 67.018 16.185 1.00 21.41 C ATOM 990 H LEU B 10 65.973 69.735 13.510 1.00 0.00 H ATOM 991 N VAL B 11 62.068 68.623 12.175 1.00 16.59 N ATOM 992 CA VAL B 11 61.015 69.141 11.313 1.00 19.26 C ATOM 993 C VAL B 11 59.671 68.673 11.854 1.00 21.26 C ATOM 994 O VAL B 11 59.584 67.714 12.625 1.00 15.64 O ATOM 995 CB VAL B 11 61.186 68.690 9.844 1.00 17.78 C ATOM 996 CG1 VAL B 11 62.519 69.187 9.282 1.00 19.87 C ATOM 997 CG2 VAL B 11 61.088 67.172 9.729 1.00 18.97 C ATOM 998 H VAL B 11 62.005 67.638 12.502 1.00 0.00 H ATOM 999 N THR B 12 58.615 69.359 11.430 1.00 17.67 N ATOM 1000 CA THR B 12 57.263 68.985 11.819 1.00 16.57 C ATOM 1001 C THR B 12 56.745 67.896 10.892 1.00 18.48 C ATOM 1002 O THR B 12 56.876 67.995 9.669 1.00 17.24 O ATOM 1003 CB THR B 12 56.331 70.196 11.775 1.00 20.11 C ATOM 1004 OG1 THR B 12 56.853 71.237 12.605 1.00 16.50 O ATOM 1005 CG2 THR B 12 54.936 69.823 12.268 1.00 19.01 C ATOM 1006 HG1 THR B 12 56.924 70.910 13.537 1.00 0.00 H ATOM 1007 H THR B 12 58.757 70.180 10.808 1.00 0.00 H ATOM 1008 N ILE B 13 56.158 66.857 11.481 1.00 14.00 N ATOM 1009 CA ILE B 13 55.547 65.773 10.731 1.00 14.30 C ATOM 1010 C ILE B 13 54.091 65.660 11.157 1.00 21.24 C ATOM 1011 O ILE B 13 53.689 66.127 12.225 1.00 17.88 O ATOM 1012 CB ILE B 13 56.277 64.426 10.934 1.00 17.88 C ATOM 1013 CG1 ILE B 13 56.168 63.964 12.394 1.00 16.58 C ATOM 1014 CG2 ILE B 13 57.728 64.559 10.522 1.00 20.29 C ATOM 1015 CD1 ILE B 13 56.645 62.560 12.638 1.00 24.34 C ATOM 1016 H ILE B 13 56.136 66.819 12.520 1.00 0.00 H ATOM 1017 N LYS B 14 53.298 65.020 10.301 1.00 11.92 N ATOM 1018 CA LYS B 14 51.906 64.707 10.598 1.00 20.66 C ATOM 1019 C LYS B 14 51.695 63.214 10.402 1.00 17.34 C ATOM 1020 O LYS B 14 51.920 62.696 9.303 1.00 17.62 O ATOM 1021 CB LYS B 14 50.950 65.505 9.706 1.00 19.96 C ATOM 1022 CG LYS B 14 49.475 65.206 9.983 1.00 24.10 C ATOM 1023 CD LYS B 14 48.542 66.174 9.270 1.00 33.74 C ATOM 1024 CE LYS B 14 48.324 65.781 7.820 1.00 39.91 C ATOM 1025 NZ LYS B 14 47.408 66.730 7.125 1.00 55.97 N ATOM 1026 HZ1 LYS B 14 46.486 66.735 7.606 1.00 0.00 H ATOM 1027 HZ2 LYS B 14 47.818 67.686 7.148 1.00 0.00 H ATOM 1028 HZ3 LYS B 14 47.283 66.429 6.137 1.00 0.00 H ATOM 1029 H LYS B 14 53.688 64.731 9.381 1.00 0.00 H ATOM 1030 N ILE B 15 51.280 62.524 11.464 1.00 18.79 N ATOM 1031 CA ILE B 15 51.010 61.090 11.417 1.00 20.74 C ATOM 1032 C ILE B 15 49.832 60.780 12.327 1.00 28.38 C ATOM 1033 O ILE B 15 49.758 61.272 13.457 1.00 24.97 O ATOM 1034 CB ILE B 15 52.230 60.250 11.846 1.00 30.27 C ATOM 1035 CG1 ILE B 15 51.844 58.758 11.876 1.00 29.36 C ATOM 1036 CG2 ILE B 15 52.745 60.733 13.202 1.00 30.90 C ATOM 1037 CD1 ILE B 15 52.937 57.833 12.295 1.00 36.33 C ATOM 1038 H ILE B 15 51.143 63.028 12.363 1.00 0.00 H ATOM 1039 N GLY B 16 48.938 59.920 11.847 1.00 22.91 N ATOM 1040 CA GLY B 16 47.778 59.538 12.642 1.00 33.07 C ATOM 1041 C GLY B 16 46.977 60.720 13.132 1.00 29.97 C ATOM 1042 O GLY B 16 46.448 60.695 14.252 1.00 30.34 O ATOM 1043 H GLY B 16 49.068 59.517 10.897 1.00 0.00 H ATOM 1044 N GLY B 17 46.878 61.767 12.316 1.00 27.42 N ATOM 1045 CA GLY B 17 46.148 62.958 12.702 1.00 24.35 C ATOM 1046 C GLY B 17 46.797 63.780 13.792 1.00 29.80 C ATOM 1047 O GLY B 17 46.114 64.575 14.443 1.00 22.20 O ATOM 1048 H GLY B 17 47.334 61.730 11.382 1.00 0.00 H ATOM 1049 N GLN B 18 48.101 63.618 14.011 1.00 29.60 N ATOM 1050 CA GLN B 18 48.826 64.368 15.027 1.00 21.89 C ATOM 1051 C GLN B 18 50.056 65.015 14.411 1.00 23.88 C ATOM 1052 O GLN B 18 50.692 64.439 13.524 1.00 23.43 O ATOM 1053 CB GLN B 18 49.253 63.465 16.192 1.00 33.48 C ATOM 1054 CG GLN B 18 48.115 63.009 17.088 1.00 36.37 C ATOM 1055 CD GLN B 18 48.617 62.302 18.331 1.00 51.30 C ATOM 1056 OE1 GLN B 18 49.437 61.385 18.250 1.00 46.83 O ATOM 1057 NE2 GLN B 18 48.137 62.734 19.491 1.00 53.48 N ATOM 1058 HE22 GLN B 18 47.446 63.511 19.511 1.00 0.00 H ATOM 1059 HE21 GLN B 18 48.452 62.295 20.380 1.00 0.00 H ATOM 1060 H GLN B 18 48.622 62.928 13.433 1.00 0.00 H ATOM 1061 N LEU B 19 50.382 66.216 14.885 1.00 18.93 N ATOM 1062 CA LEU B 19 51.608 66.907 14.513 1.00 20.66 C ATOM 1063 C LEU B 19 52.671 66.660 15.575 1.00 24.14 C ATOM 1064 O LEU B 19 52.398 66.745 16.776 1.00 24.41 O ATOM 1065 CB LEU B 19 51.380 68.413 14.362 1.00 20.51 C ATOM 1066 CG LEU B 19 50.381 68.911 13.314 1.00 23.14 C ATOM 1067 CD1 LEU B 19 50.513 70.420 13.178 1.00 21.32 C ATOM 1068 CD2 LEU B 19 50.582 68.242 11.969 1.00 26.40 C ATOM 1069 H LEU B 19 49.732 66.681 15.550 1.00 0.00 H ATOM 1070 N LYS B 20 53.886 66.360 15.123 1.00 16.81 N ATOM 1071 CA LYS B 20 55.008 66.087 16.008 1.00 16.37 C ATOM 1072 C LYS B 20 56.275 66.660 15.390 1.00 14.63 C ATOM 1073 O LYS B 20 56.300 67.043 14.218 1.00 20.24 O ATOM 1074 CB LYS B 20 55.174 64.581 16.251 1.00 16.21 C ATOM 1075 CG LYS B 20 53.877 63.851 16.568 1.00 26.97 C ATOM 1076 CD LYS B 20 54.089 62.351 16.632 1.00 32.80 C ATOM 1077 CE LYS B 20 54.107 61.847 18.063 1.00 47.06 C ATOM 1078 NZ LYS B 20 52.742 61.786 18.639 1.00 36.13 N ATOM 1079 HZ1 LYS B 20 52.321 62.737 18.631 1.00 0.00 H ATOM 1080 HZ2 LYS B 20 52.156 61.141 18.071 1.00 0.00 H ATOM 1081 HZ3 LYS B 20 52.795 61.437 19.617 1.00 0.00 H ATOM 1082 H LYS B 20 54.040 66.319 14.095 1.00 0.00 H ATOM 1083 N GLU B 21 57.329 66.722 16.199 1.00 14.71 N ATOM 1084 CA GLU B 21 58.665 67.066 15.736 1.00 21.26 C ATOM 1085 C GLU B 21 59.494 65.793 15.627 1.00 14.32 C ATOM 1086 O GLU B 21 59.439 64.933 16.511 1.00 12.34 O ATOM 1087 CB GLU B 21 59.349 68.047 16.692 1.00 21.32 C ATOM 1088 CG GLU B 21 58.622 69.375 16.880 1.00 30.39 C ATOM 1089 CD GLU B 21 58.469 70.155 15.586 1.00 32.38 C ATOM 1090 OE1 GLU B 21 57.372 70.105 14.989 1.00 33.76 O ATOM 1091 OE2 GLU B 21 59.445 70.813 15.161 1.00 33.88 O ATOM 1092 H GLU B 21 57.192 66.515 17.209 1.00 0.00 H ATOM 1093 N ALA B 22 60.258 65.673 14.541 1.00 10.80 N ATOM 1094 CA ALA B 22 61.046 64.476 14.282 1.00 15.08 C ATOM 1095 C ALA B 22 62.365 64.844 13.620 1.00 13.33 C ATOM 1096 O ALA B 22 62.469 65.857 12.924 1.00 12.69 O ATOM 1097 CB ALA B 22 60.297 63.483 13.387 1.00 10.99 C ATOM 1098 H ALA B 22 60.292 66.457 13.859 1.00 0.00 H ATOM 1099 N LEU B 23 63.363 63.989 13.840 1.00 12.15 N ATOM 1100 CA LEU B 23 64.678 64.130 13.227 1.00 15.04 C ATOM 1101 C LEU B 23 64.684 63.528 11.832 1.00 13.64 C ATOM 1102 O LEU B 23 64.258 62.384 11.640 1.00 18.46 O ATOM 1103 CB LEU B 23 65.742 63.410 14.057 1.00 15.73 C ATOM 1104 CG LEU B 23 66.296 63.994 15.347 1.00 27.27 C ATOM 1105 CD1 LEU B 23 67.333 63.041 15.915 1.00 31.59 C ATOM 1106 CD2 LEU B 23 66.923 65.328 15.090 1.00 15.63 C ATOM 1107 H LEU B 23 63.196 63.185 14.478 1.00 0.00 H ATOM 1108 N LEU B 24 65.212 64.276 10.867 1.00 14.06 N ATOM 1109 CA LEU B 24 65.572 63.702 9.574 1.00 13.39 C ATOM 1110 C LEU B 24 66.910 63.005 9.770 1.00 14.11 C ATOM 1111 O LEU B 24 67.950 63.657 9.880 1.00 12.28 O ATOM 1112 CB LEU B 24 65.647 64.782 8.502 1.00 15.21 C ATOM 1113 CG LEU B 24 64.371 65.600 8.275 1.00 15.22 C ATOM 1114 CD1 LEU B 24 64.602 66.671 7.216 1.00 30.65 C ATOM 1115 CD2 LEU B 24 63.204 64.705 7.883 1.00 23.22 C ATOM 1116 H LEU B 24 65.371 65.290 11.037 1.00 0.00 H ATOM 1117 N ASP B 25 66.892 61.675 9.821 1.00 11.12 N ATOM 1118 CA ASP B 25 68.030 60.904 10.313 1.00 8.56 C ATOM 1119 C ASP B 25 68.552 59.960 9.233 1.00 14.32 C ATOM 1120 O ASP B 25 68.017 58.866 9.039 1.00 11.24 O ATOM 1121 CB ASP B 25 67.641 60.129 11.565 1.00 7.89 C ATOM 1122 CG ASP B 25 68.836 59.513 12.246 1.00 12.70 C ATOM 1123 OD1 ASP B 25 69.934 59.570 11.652 1.00 10.85 O ATOM 1124 OD2 ASP B 25 68.691 58.993 13.370 1.00 10.17 O ATOM 1125 H ASP B 25 66.041 61.170 9.501 1.00 0.00 H ATOM 1126 N THR B 26 69.634 60.362 8.565 1.00 11.76 N ATOM 1127 CA THR B 26 70.254 59.512 7.558 1.00 13.15 C ATOM 1128 C THR B 26 70.934 58.284 8.152 1.00 13.91 C ATOM 1129 O THR B 26 71.300 57.378 7.395 1.00 16.46 O ATOM 1130 CB THR B 26 71.275 60.313 6.747 1.00 11.58 C ATOM 1131 OG1 THR B 26 72.331 60.767 7.605 1.00 14.56 O ATOM 1132 CG2 THR B 26 70.607 61.515 6.093 1.00 11.80 C ATOM 1133 HG1 THR B 26 72.780 59.986 8.016 1.00 0.00 H ATOM 1134 H THR B 26 70.042 61.297 8.766 1.00 0.00 H ATOM 1135 N GLY B 27 71.116 58.228 9.469 1.00 11.93 N ATOM 1136 CA GLY B 27 71.699 57.066 10.103 1.00 11.26 C ATOM 1137 C GLY B 27 70.716 55.987 10.500 1.00 11.02 C ATOM 1138 O GLY B 27 71.133 54.940 11.003 1.00 11.71 O ATOM 1139 H GLY B 27 70.833 59.038 10.056 1.00 0.00 H ATOM 1140 N ALA B 28 69.420 56.209 10.294 1.00 11.31 N ATOM 1141 CA ALA B 28 68.377 55.248 10.636 1.00 9.53 C ATOM 1142 C ALA B 28 67.852 54.601 9.361 1.00 12.66 C ATOM 1143 O ALA B 28 67.422 55.304 8.440 1.00 15.36 O ATOM 1144 CB ALA B 28 67.234 55.932 11.388 1.00 9.44 C ATOM 1145 H ALA B 28 69.136 57.114 9.867 1.00 0.00 H ATOM 1146 N ASP B 29 67.886 53.265 9.309 1.00 13.97 N ATOM 1147 CA ASP B 29 67.268 52.553 8.193 1.00 12.27 C ATOM 1148 C ASP B 29 65.776 52.822 8.136 1.00 16.70 C ATOM 1149 O ASP B 29 65.212 53.034 7.055 1.00 13.29 O ATOM 1150 CB ASP B 29 67.488 51.045 8.323 1.00 15.65 C ATOM 1151 CG ASP B 29 68.925 50.626 8.111 1.00 18.49 C ATOM 1152 OD1 ASP B 29 69.772 51.472 7.746 1.00 17.93 O ATOM 1153 OD2 ASP B 29 69.208 49.425 8.317 1.00 17.28 O ATOM 1154 H ASP B 29 68.355 52.730 10.067 1.00 0.00 H ATOM 1155 N ASP B 30 65.118 52.786 9.292 1.00 13.37 N ATOM 1156 CA ASP B 30 63.673 52.849 9.392 1.00 10.45 C ATOM 1157 C ASP B 30 63.271 53.949 10.367 1.00 12.30 C ATOM 1158 O ASP B 30 64.078 54.451 11.156 1.00 14.43 O ATOM 1159 CB ASP B 30 63.099 51.498 9.837 1.00 15.35 C ATOM 1160 CG ASP B 30 63.014 50.499 8.697 1.00 23.27 C ATOM 1161 OD1 ASP B 30 62.384 50.819 7.666 1.00 34.34 O ATOM 1162 OD2 ASP B 30 63.590 49.405 8.827 1.00 23.96 O ATOM 1163 H ASP B 30 65.669 52.709 10.170 1.00 0.00 H ATOM 1164 N THR B 31 61.994 54.309 10.292 1.00 12.38 N ATOM 1165 CA THR B 31 61.413 55.397 11.066 1.00 10.43 C ATOM 1166 C THR B 31 60.923 54.876 12.412 1.00 16.90 C ATOM 1167 O THR B 31 60.231 53.854 12.476 1.00 15.27 O ATOM 1168 CB THR B 31 60.262 56.018 10.271 1.00 12.44 C ATOM 1169 OG1 THR B 31 60.776 56.602 9.066 1.00 16.90 O ATOM 1170 CG2 THR B 31 59.529 57.080 11.065 1.00 12.94 C ATOM 1171 HG1 THR B 31 61.214 55.901 8.522 1.00 0.00 H ATOM 1172 H THR B 31 61.374 53.783 9.643 1.00 0.00 H ATOM 1173 N VAL B 32 61.278 55.585 13.482 1.00 16.66 N ATOM 1174 CA VAL B 32 60.909 55.209 14.842 1.00 13.19 C ATOM 1175 C VAL B 32 60.245 56.411 15.498 1.00 15.60 C ATOM 1176 O VAL B 32 60.823 57.503 15.525 1.00 13.24 O ATOM 1177 CB VAL B 32 62.129 54.759 15.669 1.00 17.12 C ATOM 1178 CG1 VAL B 32 61.671 54.024 16.928 1.00 19.62 C ATOM 1179 CG2 VAL B 32 63.050 53.889 14.838 1.00 20.26 C ATOM 1180 H VAL B 32 61.844 56.446 13.341 1.00 0.00 H ATOM 1181 N LEU B 33 59.037 56.217 16.022 1.00 12.42 N ATOM 1182 CA LEU B 33 58.284 57.308 16.622 1.00 13.98 C ATOM 1183 C LEU B 33 57.960 56.997 18.074 1.00 17.28 C ATOM 1184 O LEU B 33 57.752 55.838 18.449 1.00 14.45 O ATOM 1185 CB LEU B 33 56.983 57.581 15.864 1.00 17.60 C ATOM 1186 CG LEU B 33 57.099 57.983 14.395 1.00 19.93 C ATOM 1187 CD1 LEU B 33 55.718 58.245 13.855 1.00 34.48 C ATOM 1188 CD2 LEU B 33 57.973 59.208 14.210 1.00 17.73 C ATOM 1189 H LEU B 33 58.622 55.264 16.002 1.00 0.00 H ATOM 1190 N GLU B 34 57.905 58.059 18.880 1.00 16.58 N ATOM 1191 CA GLU B 34 57.535 57.972 20.287 1.00 19.34 C ATOM 1192 C GLU B 34 56.257 57.167 20.460 1.00 21.66 C ATOM 1193 O GLU B 34 55.461 57.044 19.523 1.00 15.99 O ATOM 1194 CB GLU B 34 57.348 59.372 20.880 1.00 19.80 C ATOM 1195 CG GLU B 34 56.263 60.200 20.183 1.00 24.39 C ATOM 1196 CD GLU B 34 56.008 61.535 20.859 1.00 29.51 C ATOM 1197 OE1 GLU B 34 55.447 61.542 21.975 1.00 26.74 O ATOM 1198 OE2 GLU B 34 56.367 62.580 20.272 1.00 27.07 O ATOM 1199 H GLU B 34 58.137 58.993 18.486 1.00 0.00 H ATOM 1200 N GLU B 35 56.049 56.617 21.653 1.00 23.09 N ATOM 1201 CA GLU B 35 54.837 55.857 21.916 1.00 24.20 C ATOM 1202 C GLU B 35 53.612 56.658 21.500 1.00 20.80 C ATOM 1203 O GLU B 35 53.478 57.836 21.838 1.00 17.79 O ATOM 1204 CB GLU B 35 54.765 55.496 23.401 1.00 25.53 C ATOM 1205 CG GLU B 35 53.514 54.738 23.799 1.00 30.52 C ATOM 1206 CD GLU B 35 53.309 53.484 22.978 1.00 35.20 C ATOM 1207 OE1 GLU B 35 54.281 52.714 22.817 1.00 23.92 O ATOM 1208 OE2 GLU B 35 52.177 53.272 22.490 1.00 37.43 O ATOM 1209 H GLU B 35 56.759 56.731 22.404 1.00 0.00 H ATOM 1210 N MET B 36 52.747 56.022 20.715 1.00 20.96 N ATOM 1211 CA MET B 36 51.474 56.603 20.321 1.00 30.60 C ATOM 1212 C MET B 36 50.514 55.465 20.014 1.00 27.39 C ATOM 1213 O MET B 36 50.928 54.388 19.580 1.00 26.11 O ATOM 1214 CB MET B 36 51.618 57.531 19.107 1.00 26.06 C ATOM 1215 CG MET B 36 52.005 56.827 17.820 1.00 29.81 C ATOM 1216 SD MET B 36 52.394 57.987 16.490 1.00 31.86 S ATOM 1217 CE MET B 36 50.896 58.975 16.426 1.00 39.61 C ATOM 1218 H MET B 36 52.991 55.072 20.370 1.00 0.00 H ATOM 1219 N ASN B 37 49.225 55.710 20.252 1.00 26.84 N ATOM 1220 CA ASN B 37 48.206 54.666 20.138 1.00 36.20 C ATOM 1221 C ASN B 37 47.638 54.666 18.721 1.00 35.10 C ATOM 1222 O ASN B 37 46.540 55.157 18.451 1.00 41.45 O ATOM 1223 CB ASN B 37 47.117 54.873 21.183 1.00 44.74 C ATOM 1224 CG ASN B 37 47.085 53.766 22.216 1.00 68.13 C ATOM 1225 OD1 ASN B 37 47.238 52.590 21.888 1.00 57.04 O ATOM 1226 ND2 ASN B 37 46.883 54.139 23.475 1.00 92.26 N ATOM 1227 HD22 ASN B 37 46.759 55.145 23.706 1.00 0.00 H ATOM 1228 HD21 ASN B 37 46.849 53.425 24.230 1.00 0.00 H ATOM 1229 H ASN B 37 48.936 56.670 20.526 1.00 0.00 H ATOM 1230 N LEU B 38 48.407 54.085 17.797 1.00 26.30 N ATOM 1231 CA LEU B 38 47.931 53.959 16.425 1.00 23.50 C ATOM 1232 C LEU B 38 46.984 52.767 16.302 1.00 35.62 C ATOM 1233 O LEU B 38 47.203 51.733 16.938 1.00 30.04 O ATOM 1234 CB LEU B 38 49.095 53.774 15.458 1.00 27.05 C ATOM 1235 CG LEU B 38 49.847 55.013 14.973 1.00 33.06 C ATOM 1236 CD1 LEU B 38 51.011 54.575 14.108 1.00 24.63 C ATOM 1237 CD2 LEU B 38 48.939 55.955 14.196 1.00 36.33 C ATOM 1238 H LEU B 38 49.346 53.722 18.056 1.00 0.00 H ATOM 1239 N PRO B 39 45.936 52.873 15.492 1.00 29.36 N ATOM 1240 CA PRO B 39 45.076 51.715 15.239 1.00 42.76 C ATOM 1241 C PRO B 39 45.706 50.772 14.223 1.00 26.53 C ATOM 1242 O PRO B 39 46.660 51.105 13.521 1.00 28.17 O ATOM 1243 CB PRO B 39 43.791 52.341 14.690 1.00 42.39 C ATOM 1244 CG PRO B 39 44.252 53.586 14.020 1.00 39.94 C ATOM 1245 CD PRO B 39 45.432 54.085 14.820 1.00 42.35 C ATOM 1246 N GLY B 40 45.143 49.572 14.158 1.00 34.62 N ATOM 1247 CA GLY B 40 45.565 48.580 13.192 1.00 26.07 C ATOM 1248 C GLY B 40 46.471 47.534 13.805 1.00 27.40 C ATOM 1249 O GLY B 40 46.863 47.593 14.975 1.00 27.89 O ATOM 1250 H GLY B 40 44.376 49.337 14.820 1.00 0.00 H ATOM 1251 N ARG B 41 46.803 46.556 12.972 1.00 23.55 N ATOM 1252 CA ARG B 41 47.664 45.461 13.377 1.00 29.13 C ATOM 1253 C ARG B 41 49.127 45.892 13.337 1.00 25.79 C ATOM 1254 O ARG B 41 49.499 46.888 12.710 1.00 23.61 O ATOM 1255 CB ARG B 41 47.451 44.250 12.470 1.00 29.67 C ATOM 1256 H ARG B 41 46.435 46.575 12.000 1.00 0.00 H ATOM 1257 N TRP B 42 49.963 45.119 14.021 1.00 23.00 N ATOM 1258 CA TRP B 42 51.383 45.420 14.098 1.00 21.18 C ATOM 1259 C TRP B 42 52.134 44.145 14.441 1.00 27.57 C ATOM 1260 O TRP B 42 51.550 43.167 14.914 1.00 18.73 O ATOM 1261 CB TRP B 42 51.660 46.501 15.141 1.00 13.93 C ATOM 1262 CG TRP B 42 51.071 46.179 16.476 1.00 15.23 C ATOM 1263 CD1 TRP B 42 49.805 46.461 16.901 1.00 31.89 C ATOM 1264 CD2 TRP B 42 51.718 45.505 17.560 1.00 28.30 C ATOM 1265 NE1 TRP B 42 49.625 46.006 18.184 1.00 23.13 N ATOM 1266 CE2 TRP B 42 50.785 45.414 18.611 1.00 30.47 C ATOM 1267 CE3 TRP B 42 52.996 44.969 17.744 1.00 27.04 C ATOM 1268 CZ2 TRP B 42 51.090 44.816 19.829 1.00 31.43 C ATOM 1269 CZ3 TRP B 42 53.297 44.374 18.956 1.00 25.07 C ATOM 1270 CH2 TRP B 42 52.348 44.301 19.981 1.00 23.66 C ATOM 1271 HE1 TRP B 42 48.751 46.096 18.741 1.00 0.00 H ATOM 1272 H TRP B 42 49.594 44.280 14.512 1.00 0.00 H ATOM 1273 N LYS B 43 53.441 44.174 14.195 1.00 23.89 N ATOM 1274 CA LYS B 43 54.318 43.058 14.494 1.00 22.48 C ATOM 1275 C LYS B 43 55.394 43.496 15.482 1.00 17.09 C ATOM 1276 O LYS B 43 55.914 44.609 15.362 1.00 14.53 O ATOM 1277 CB LYS B 43 54.978 42.532 13.210 1.00 16.86 C ATOM 1278 H LYS B 43 53.850 45.031 13.771 1.00 0.00 H ATOM 1279 N PRO B 44 55.741 42.666 16.468 1.00 19.85 N ATOM 1280 CA PRO B 44 56.828 43.033 17.380 1.00 17.11 C ATOM 1281 C PRO B 44 58.168 43.060 16.667 1.00 14.52 C ATOM 1282 O PRO B 44 58.429 42.271 15.755 1.00 13.33 O ATOM 1283 CB PRO B 44 56.797 41.927 18.445 1.00 22.47 C ATOM 1284 CG PRO B 44 55.502 41.258 18.284 1.00 17.13 C ATOM 1285 CD PRO B 44 55.140 41.377 16.846 1.00 19.43 C ATOM 1286 N LYS B 45 59.032 43.973 17.110 1.00 14.59 N ATOM 1287 CA LYS B 45 60.373 44.093 16.555 1.00 14.20 C ATOM 1288 C LYS B 45 61.294 44.660 17.624 1.00 14.90 C ATOM 1289 O LYS B 45 60.845 45.333 18.554 1.00 15.27 O ATOM 1290 CB LYS B 45 60.379 44.988 15.307 1.00 13.36 C ATOM 1291 CG LYS B 45 61.692 45.027 14.532 1.00 14.78 C ATOM 1292 CD LYS B 45 61.542 45.904 13.297 1.00 20.36 C ATOM 1293 CE LYS B 45 62.848 46.075 12.540 1.00 27.50 C ATOM 1294 NZ LYS B 45 63.274 44.832 11.853 1.00 39.67 N ATOM 1295 HZ1 LYS B 45 63.407 44.077 12.556 1.00 0.00 H ATOM 1296 HZ2 LYS B 45 62.543 44.547 11.171 1.00 0.00 H ATOM 1297 HZ3 LYS B 45 64.169 45.003 11.352 1.00 0.00 H ATOM 1298 H LYS B 45 58.741 44.617 17.873 1.00 0.00 H ATOM 1299 N MET B 46 62.585 44.367 17.492 1.00 12.84 N ATOM 1300 CA MET B 46 63.609 44.931 18.360 1.00 15.98 C ATOM 1301 C MET B 46 64.661 45.598 17.488 1.00 17.47 C ATOM 1302 O MET B 46 65.086 45.032 16.475 1.00 14.95 O ATOM 1303 CB MET B 46 64.231 43.858 19.259 1.00 14.77 C ATOM 1304 CG MET B 46 63.518 43.735 20.611 1.00 20.02 C ATOM 1305 SD MET B 46 63.948 42.282 21.578 1.00 43.69 S ATOM 1306 CE MET B 46 65.413 42.869 22.436 1.00 26.77 C ATOM 1307 H MET B 46 62.874 43.710 16.740 1.00 0.00 H ATOM 1308 N ILE B 47 65.048 46.814 17.861 1.00 13.60 N ATOM 1309 CA ILE B 47 65.990 47.610 17.087 1.00 15.23 C ATOM 1310 C ILE B 47 67.088 48.077 18.025 1.00 13.60 C ATOM 1311 O ILE B 47 66.831 48.376 19.198 1.00 12.08 O ATOM 1312 CB ILE B 47 65.300 48.806 16.398 1.00 14.40 C ATOM 1313 CG1 ILE B 47 64.661 49.739 17.434 1.00 16.39 C ATOM 1314 CG2 ILE B 47 64.267 48.292 15.409 1.00 14.48 C ATOM 1315 CD1 ILE B 47 64.160 51.040 16.857 1.00 17.75 C ATOM 1316 H ILE B 47 64.662 47.213 18.741 1.00 0.00 H ATOM 1317 N GLY B 48 68.313 48.121 17.513 1.00 14.90 N ATOM 1318 CA GLY B 48 69.481 48.345 18.337 1.00 14.80 C ATOM 1319 C GLY B 48 70.243 49.589 17.927 1.00 13.29 C ATOM 1320 O GLY B 48 70.286 49.957 16.752 1.00 9.71 O ATOM 1321 H GLY B 48 68.436 47.990 16.489 1.00 0.00 H ATOM 1322 N GLY B 49 70.839 50.232 18.913 1.00 14.21 N ATOM 1323 CA GLY B 49 71.719 51.347 18.675 1.00 14.53 C ATOM 1324 C GLY B 49 72.673 51.497 19.832 1.00 11.73 C ATOM 1325 O GLY B 49 72.933 50.549 20.574 1.00 13.54 O ATOM 1326 H GLY B 49 70.668 49.924 19.892 1.00 0.00 H ATOM 1327 N ILE B 50 73.202 52.710 19.984 1.00 15.62 N ATOM 1328 CA ILE B 50 74.046 53.004 21.133 1.00 17.47 C ATOM 1329 C ILE B 50 73.244 52.774 22.404 1.00 19.00 C ATOM 1330 O ILE B 50 72.141 53.309 22.569 1.00 15.80 O ATOM 1331 CB ILE B 50 74.588 54.439 21.039 1.00 15.17 C ATOM 1332 CG1 ILE B 50 75.659 54.510 19.947 1.00 13.95 C ATOM 1333 CG2 ILE B 50 75.151 54.910 22.385 1.00 15.21 C ATOM 1334 CD1 ILE B 50 76.139 55.919 19.632 1.00 15.88 C ATOM 1335 H ILE B 50 73.011 53.450 19.279 1.00 0.00 H ATOM 1336 N GLY B 51 73.785 51.950 23.300 1.00 15.74 N ATOM 1337 CA GLY B 51 73.135 51.615 24.545 1.00 19.84 C ATOM 1338 C GLY B 51 72.380 50.302 24.531 1.00 21.03 C ATOM 1339 O GLY B 51 72.045 49.786 25.604 1.00 19.65 O ATOM 1340 H GLY B 51 74.714 51.531 23.094 1.00 0.00 H ATOM 1341 N GLY B 52 72.104 49.747 23.352 1.00 12.95 N ATOM 1342 CA GLY B 52 71.410 48.475 23.269 1.00 21.30 C ATOM 1343 C GLY B 52 70.135 48.526 22.452 1.00 14.14 C ATOM 1344 O GLY B 52 70.000 49.367 21.558 1.00 12.99 O ATOM 1345 H GLY B 52 72.390 50.232 22.478 1.00 0.00 H ATOM 1346 N PHE B 53 69.187 47.643 22.760 1.00 19.16 N ATOM 1347 CA PHE B 53 67.972 47.489 21.973 1.00 12.50 C ATOM 1348 C PHE B 53 66.757 47.997 22.736 1.00 17.45 C ATOM 1349 O PHE B 53 66.737 48.022 23.971 1.00 12.83 O ATOM 1350 CB PHE B 53 67.754 46.020 21.579 1.00 12.55 C ATOM 1351 CG PHE B 53 68.710 45.530 20.533 1.00 11.85 C ATOM 1352 CD1 PHE B 53 70.028 45.275 20.853 1.00 18.56 C ATOM 1353 CD2 PHE B 53 68.293 45.330 19.226 1.00 15.55 C ATOM 1354 CE1 PHE B 53 70.916 44.828 19.895 1.00 10.44 C ATOM 1355 CE2 PHE B 53 69.179 44.885 18.263 1.00 16.10 C ATOM 1356 CZ PHE B 53 70.494 44.636 18.602 1.00 11.56 C ATOM 1357 H PHE B 53 69.320 47.039 23.596 1.00 0.00 H ATOM 1358 N ILE B 54 65.745 48.416 21.980 1.00 15.86 N ATOM 1359 CA ILE B 54 64.429 48.710 22.528 1.00 13.11 C ATOM 1360 C ILE B 54 63.404 47.904 21.746 1.00 19.79 C ATOM 1361 O ILE B 54 63.613 47.555 20.578 1.00 11.95 O ATOM 1362 CB ILE B 54 64.078 50.217 22.495 1.00 13.88 C ATOM 1363 CG1 ILE B 54 64.111 50.763 21.065 1.00 14.28 C ATOM 1364 CG2 ILE B 54 65.021 50.995 23.401 1.00 17.20 C ATOM 1365 CD1 ILE B 54 63.400 52.081 20.911 1.00 24.91 C ATOM 1366 H ILE B 54 65.900 48.538 20.959 1.00 0.00 H ATOM 1367 N LYS B 55 62.293 47.600 22.406 1.00 13.37 N ATOM 1368 CA LYS B 55 61.182 46.900 21.779 1.00 13.01 C ATOM 1369 C LYS B 55 60.241 47.911 21.142 1.00 14.84 C ATOM 1370 O LYS B 55 59.887 48.916 21.768 1.00 14.06 O ATOM 1371 CB LYS B 55 60.433 46.053 22.809 1.00 17.63 C ATOM 1372 H LYS B 55 62.214 47.872 23.407 1.00 0.00 H ATOM 1373 N VAL B 56 59.836 47.644 19.898 1.00 15.67 N ATOM 1374 CA VAL B 56 58.951 48.539 19.168 1.00 11.11 C ATOM 1375 C VAL B 56 57.856 47.736 18.478 1.00 12.94 C ATOM 1376 O VAL B 56 57.954 46.521 18.297 1.00 13.01 O ATOM 1377 CB VAL B 56 59.715 49.391 18.130 1.00 14.06 C ATOM 1378 CG1 VAL B 56 60.769 50.250 18.814 1.00 14.03 C ATOM 1379 CG2 VAL B 56 60.359 48.506 17.078 1.00 12.93 C ATOM 1380 H VAL B 56 60.163 46.771 19.437 1.00 0.00 H ATOM 1381 N ARG B 57 56.803 48.446 18.090 1.00 13.02 N ATOM 1382 CA ARG B 57 55.692 47.881 17.339 1.00 15.19 C ATOM 1383 C ARG B 57 55.806 48.364 15.901 1.00 12.86 C ATOM 1384 O ARG B 57 55.860 49.573 15.654 1.00 16.90 O ATOM 1385 CB ARG B 57 54.353 48.291 17.952 1.00 13.88 C ATOM 1386 CG ARG B 57 54.238 47.958 19.431 1.00 15.85 C ATOM 1387 CD ARG B 57 52.806 48.111 19.939 1.00 27.60 C ATOM 1388 NE ARG B 57 52.252 49.441 19.685 1.00 23.69 N ATOM 1389 CZ ARG B 57 52.481 50.512 20.442 1.00 27.03 C ATOM 1390 NH1 ARG B 57 53.267 50.428 21.507 1.00 29.70 N ATOM 1391 NH2 ARG B 57 51.926 51.676 20.129 1.00 26.58 N ATOM 1392 HE ARG B 57 51.636 49.558 18.855 1.00 0.00 H ATOM 1393 HH12 ARG B 57 53.441 51.270 22.093 1.00 0.00 H ATOM 1394 HH11 ARG B 57 53.710 49.521 21.756 1.00 0.00 H ATOM 1395 HH22 ARG B 57 52.105 52.513 20.720 1.00 0.00 H ATOM 1396 HH21 ARG B 57 51.312 51.751 19.293 1.00 0.00 H ATOM 1397 H ARG B 57 56.771 49.456 18.335 1.00 0.00 H ATOM 1398 N GLN B 58 55.860 47.424 14.962 1.00 12.27 N ATOM 1399 CA GLN B 58 56.039 47.750 13.553 1.00 13.92 C ATOM 1400 C GLN B 58 54.677 47.852 12.880 1.00 22.77 C ATOM 1401 O GLN B 58 53.941 46.862 12.803 1.00 17.17 O ATOM 1402 CB GLN B 58 56.897 46.699 12.852 1.00 17.25 C ATOM 1403 CG GLN B 58 57.045 46.932 11.355 1.00 19.53 C ATOM 1404 CD GLN B 58 57.821 45.835 10.666 1.00 25.54 C ATOM 1405 OE1 GLN B 58 58.686 45.197 11.267 1.00 25.20 O ATOM 1406 NE2 GLN B 58 57.512 45.604 9.395 1.00 25.65 N ATOM 1407 HE22 GLN B 58 56.774 46.169 8.928 1.00 0.00 H ATOM 1408 HE21 GLN B 58 58.008 44.858 8.866 1.00 0.00 H ATOM 1409 H GLN B 58 55.772 46.426 15.242 1.00 0.00 H ATOM 1410 N TYR B 59 54.350 49.045 12.392 1.00 15.63 N ATOM 1411 CA TYR B 59 53.159 49.276 11.585 1.00 18.00 C ATOM 1412 C TYR B 59 53.581 49.486 10.137 1.00 25.56 C ATOM 1413 O TYR B 59 54.617 50.102 9.869 1.00 20.24 O ATOM 1414 CB TYR B 59 52.377 50.497 12.079 1.00 20.47 C ATOM 1415 CG TYR B 59 51.803 50.367 13.470 1.00 22.28 C ATOM 1416 CD1 TYR B 59 52.558 50.693 14.587 1.00 18.80 C ATOM 1417 CD2 TYR B 59 50.496 49.940 13.665 1.00 30.35 C ATOM 1418 CE1 TYR B 59 52.036 50.583 15.860 1.00 16.34 C ATOM 1419 CE2 TYR B 59 49.963 49.828 14.935 1.00 21.83 C ATOM 1420 CZ TYR B 59 50.738 50.149 16.028 1.00 28.39 C ATOM 1421 OH TYR B 59 50.213 50.038 17.293 1.00 23.69 O ATOM 1422 HH TYR B 59 49.423 50.629 17.374 1.00 0.00 H ATOM 1423 H TYR B 59 54.974 49.852 12.596 1.00 0.00 H ATOM 1424 N ASP B 60 52.786 48.970 9.207 1.00 20.01 N ATOM 1425 CA ASP B 60 53.105 49.038 7.789 1.00 18.53 C ATOM 1426 C ASP B 60 52.121 49.960 7.077 1.00 19.26 C ATOM 1427 O ASP B 60 50.979 50.132 7.512 1.00 24.89 O ATOM 1428 CB ASP B 60 53.077 47.644 7.152 1.00 35.37 C ATOM 1429 CG ASP B 60 54.091 46.693 7.773 1.00 40.50 C ATOM 1430 OD1 ASP B 60 55.264 47.089 7.951 1.00 31.94 O ATOM 1431 OD2 ASP B 60 53.711 45.545 8.089 1.00 36.95 O ATOM 1432 H ASP B 60 51.906 48.501 9.502 1.00 0.00 H ATOM 1433 N GLN B 61 52.589 50.570 5.987 1.00 24.88 N ATOM 1434 CA GLN B 61 51.757 51.423 5.135 1.00 24.51 C ATOM 1435 C GLN B 61 51.078 52.531 5.937 1.00 26.54 C ATOM 1436 O GLN B 61 49.881 52.789 5.800 1.00 24.57 O ATOM 1437 CB GLN B 61 50.722 50.586 4.379 1.00 32.28 C ATOM 1438 CG GLN B 61 51.337 49.576 3.433 1.00 24.09 C ATOM 1439 CD GLN B 61 52.283 50.217 2.438 1.00 40.60 C ATOM 1440 OE1 GLN B 61 53.491 49.982 2.471 1.00 54.11 O ATOM 1441 NE2 GLN B 61 51.738 51.038 1.548 1.00 45.07 N ATOM 1442 HE22 GLN B 61 50.712 51.207 1.557 1.00 0.00 H ATOM 1443 HE21 GLN B 61 52.337 51.512 0.842 1.00 0.00 H ATOM 1444 H GLN B 61 53.588 50.434 5.731 1.00 0.00 H ATOM 1445 N ILE B 62 51.860 53.201 6.773 1.00 19.31 N ATOM 1446 CA ILE B 62 51.380 54.352 7.527 1.00 22.24 C ATOM 1447 C ILE B 62 51.670 55.610 6.721 1.00 26.67 C ATOM 1448 O ILE B 62 52.771 55.774 6.184 1.00 22.42 O ATOM 1449 CB ILE B 62 52.045 54.420 8.913 1.00 21.59 C ATOM 1450 CG1 ILE B 62 51.740 53.150 9.718 1.00 23.20 C ATOM 1451 CG2 ILE B 62 51.592 55.657 9.678 1.00 25.09 C ATOM 1452 CD1 ILE B 62 50.266 52.913 10.005 1.00 29.77 C ATOM 1453 H ILE B 62 52.847 52.895 6.894 1.00 0.00 H ATOM 1454 N LEU B 63 50.680 56.494 6.631 1.00 21.06 N ATOM 1455 CA LEU B 63 50.846 57.761 5.931 1.00 27.74 C ATOM 1456 C LEU B 63 51.492 58.788 6.854 1.00 18.51 C ATOM 1457 O LEU B 63 51.047 58.982 7.990 1.00 25.28 O ATOM 1458 CB LEU B 63 49.493 58.271 5.436 1.00 27.59 C ATOM 1459 H LEU B 63 49.764 56.275 7.072 1.00 0.00 H ATOM 1460 N ILE B 64 52.547 59.437 6.367 1.00 21.16 N ATOM 1461 CA ILE B 64 53.242 60.485 7.103 1.00 17.72 C ATOM 1462 C ILE B 64 53.498 61.642 6.153 1.00 25.44 C ATOM 1463 O ILE B 64 53.904 61.434 5.004 1.00 30.82 O ATOM 1464 CB ILE B 64 54.577 59.995 7.708 1.00 27.80 C ATOM 1465 CG1 ILE B 64 54.323 58.868 8.713 1.00 35.23 C ATOM 1466 CG2 ILE B 64 55.328 61.170 8.359 1.00 30.41 C ATOM 1467 CD1 ILE B 64 55.528 58.512 9.605 1.00 33.12 C ATOM 1468 H ILE B 64 52.891 59.185 5.418 1.00 0.00 H ATOM 1469 N GLU B 65 53.275 62.859 6.639 1.00 15.74 N ATOM 1470 CA GLU B 65 53.604 64.066 5.898 1.00 19.95 C ATOM 1471 C GLU B 65 54.766 64.761 6.590 1.00 21.79 C ATOM 1472 O GLU B 65 54.704 65.034 7.793 1.00 25.08 O ATOM 1473 CB GLU B 65 52.402 65.003 5.800 1.00 19.93 C ATOM 1474 CG GLU B 65 52.622 66.160 4.859 1.00 24.53 C ATOM 1475 CD GLU B 65 51.369 66.979 4.673 1.00 24.26 C ATOM 1476 OE1 GLU B 65 50.374 66.423 4.164 1.00 23.55 O ATOM 1477 OE2 GLU B 65 51.377 68.169 5.051 1.00 17.33 O ATOM 1478 H GLU B 65 52.850 62.951 7.584 1.00 0.00 H ATOM 1479 N ILE B 66 55.819 65.035 5.828 1.00 18.87 N ATOM 1480 CA ILE B 66 57.063 65.597 6.344 1.00 22.74 C ATOM 1481 C ILE B 66 57.298 66.909 5.605 1.00 23.04 C ATOM 1482 O ILE B 66 57.628 66.904 4.412 1.00 22.82 O ATOM 1483 CB ILE B 66 58.244 64.635 6.151 1.00 23.08 C ATOM 1484 CG1 ILE B 66 57.917 63.255 6.725 1.00 27.02 C ATOM 1485 CG2 ILE B 66 59.511 65.181 6.803 1.00 28.18 C ATOM 1486 CD1 ILE B 66 58.815 62.159 6.214 1.00 26.45 C ATOM 1487 H ILE B 66 55.753 64.838 4.809 1.00 0.00 H ATOM 1488 N CYS B 67 57.120 68.033 6.302 1.00 26.05 N ATOM 1489 CA CYS B 67 57.290 69.357 5.694 1.00 24.66 C ATOM 1490 C CYS B 67 56.452 69.491 4.428 1.00 27.71 C ATOM 1491 O CYS B 67 56.924 69.965 3.392 1.00 31.09 O ATOM 1492 CB CYS B 67 58.758 69.642 5.376 1.00 41.29 C ATOM 1493 SG CYS B 67 59.819 69.829 6.800 1.00 47.48 S ATOM 1494 H CYS B 67 56.853 67.968 7.305 1.00 0.00 H ATOM 1495 N GLY B 68 55.199 69.063 4.507 1.00 27.03 N ATOM 1496 CA GLY B 68 54.315 69.116 3.365 1.00 31.61 C ATOM 1497 C GLY B 68 54.575 68.072 2.301 1.00 24.71 C ATOM 1498 O GLY B 68 53.856 68.051 1.294 1.00 30.64 O ATOM 1499 H GLY B 68 54.846 68.682 5.408 1.00 0.00 H ATOM 1500 N HIS B 69 55.573 67.210 2.482 1.00 23.70 N ATOM 1501 CA HIS B 69 55.863 66.130 1.547 1.00 19.12 C ATOM 1502 C HIS B 69 55.244 64.840 2.075 1.00 26.12 C ATOM 1503 O HIS B 69 55.593 64.383 3.169 1.00 24.22 O ATOM 1504 CB HIS B 69 57.372 65.961 1.356 1.00 26.03 C ATOM 1505 CG HIS B 69 58.025 67.114 0.659 1.00 28.53 C ATOM 1506 ND1 HIS B 69 58.524 67.021 -0.622 1.00 23.51 N ATOM 1507 CD2 HIS B 69 58.255 68.387 1.061 1.00 32.02 C ATOM 1508 CE1 HIS B 69 59.036 68.186 -0.979 1.00 33.96 C ATOM 1509 NE2 HIS B 69 58.884 69.032 0.024 1.00 23.84 N ATOM 1510 H HIS B 69 56.171 67.311 3.327 1.00 0.00 H ATOM 1511 N LYS B 70 54.331 64.255 1.302 1.00 24.99 N ATOM 1512 CA LYS B 70 53.635 63.053 1.741 1.00 23.20 C ATOM 1513 C LYS B 70 54.492 61.818 1.504 1.00 18.25 C ATOM 1514 O LYS B 70 55.249 61.744 0.533 1.00 19.51 O ATOM 1515 CB LYS B 70 52.297 62.907 1.014 1.00 20.60 C ATOM 1516 CG LYS B 70 51.309 64.023 1.327 1.00 27.78 C ATOM 1517 CD LYS B 70 49.926 63.736 0.756 1.00 26.54 C ATOM 1518 CE LYS B 70 48.996 64.931 0.911 1.00 34.85 C ATOM 1519 NZ LYS B 70 49.418 66.069 0.045 1.00 48.49 N ATOM 1520 HZ1 LYS B 70 50.380 66.364 0.307 1.00 0.00 H ATOM 1521 HZ2 LYS B 70 49.405 65.769 -0.951 1.00 0.00 H ATOM 1522 HZ3 LYS B 70 48.762 66.865 0.177 1.00 0.00 H ATOM 1523 H LYS B 70 54.112 64.663 0.371 1.00 0.00 H ATOM 1524 N ALA B 71 54.365 60.846 2.406 1.00 21.88 N ATOM 1525 CA ALA B 71 55.050 59.569 2.274 1.00 19.61 C ATOM 1526 C ALA B 71 54.192 58.492 2.921 1.00 26.71 C ATOM 1527 O ALA B 71 53.273 58.783 3.692 1.00 31.05 O ATOM 1528 CB ALA B 71 56.443 59.598 2.913 1.00 26.14 C ATOM 1529 H ALA B 71 53.755 61.005 3.233 1.00 0.00 H ATOM 1530 N ILE B 72 54.497 57.240 2.593 1.00 18.41 N ATOM 1531 CA ILE B 72 53.779 56.098 3.153 1.00 18.25 C ATOM 1532 C ILE B 72 54.751 54.935 3.267 1.00 20.04 C ATOM 1533 O ILE B 72 55.426 54.580 2.297 1.00 17.61 O ATOM 1534 CB ILE B 72 52.549 55.713 2.303 1.00 26.79 C ATOM 1535 CG1 ILE B 72 51.861 54.481 2.895 1.00 30.76 C ATOM 1536 CG2 ILE B 72 52.949 55.456 0.862 1.00 30.17 C ATOM 1537 CD1 ILE B 72 50.448 54.267 2.397 1.00 37.35 C ATOM 1538 H ILE B 72 55.269 57.069 1.918 1.00 0.00 H ATOM 1539 N GLY B 73 54.829 54.346 4.452 1.00 26.08 N ATOM 1540 CA GLY B 73 55.759 53.256 4.663 1.00 25.42 C ATOM 1541 C GLY B 73 55.685 52.728 6.075 1.00 16.61 C ATOM 1542 O GLY B 73 54.716 52.969 6.797 1.00 21.70 O ATOM 1543 H GLY B 73 54.221 54.667 5.232 1.00 0.00 H ATOM 1544 N THR B 74 56.732 52.005 6.461 1.00 16.84 N ATOM 1545 CA THR B 74 56.781 51.376 7.771 1.00 19.69 C ATOM 1546 C THR B 74 57.133 52.401 8.838 1.00 18.31 C ATOM 1547 O THR B 74 58.003 53.255 8.640 1.00 15.91 O ATOM 1548 CB THR B 74 57.806 50.238 7.773 1.00 30.17 C ATOM 1549 OG1 THR B 74 57.379 49.218 6.865 1.00 20.27 O ATOM 1550 CG2 THR B 74 57.952 49.623 9.158 1.00 25.53 C ATOM 1551 HG1 THR B 74 56.497 48.872 7.151 1.00 0.00 H ATOM 1552 H THR B 74 57.535 51.887 5.811 1.00 0.00 H ATOM 1553 N VAL B 75 56.442 52.315 9.970 1.00 19.09 N ATOM 1554 CA VAL B 75 56.698 53.167 11.124 1.00 15.52 C ATOM 1555 C VAL B 75 56.791 52.279 12.355 1.00 18.74 C ATOM 1556 O VAL B 75 55.886 51.480 12.620 1.00 17.62 O ATOM 1557 CB VAL B 75 55.598 54.229 11.301 1.00 29.82 C ATOM 1558 CG1 VAL B 75 55.840 55.070 12.546 1.00 25.44 C ATOM 1559 CG2 VAL B 75 55.528 55.111 10.073 1.00 23.94 C ATOM 1560 H VAL B 75 55.683 51.607 10.035 1.00 0.00 H ATOM 1561 N LEU B 76 57.884 52.414 13.097 1.00 11.73 N ATOM 1562 CA LEU B 76 58.095 51.676 14.333 1.00 14.23 C ATOM 1563 C LEU B 76 57.740 52.582 15.505 1.00 16.96 C ATOM 1564 O LEU B 76 58.146 53.746 15.534 1.00 21.76 O ATOM 1565 CB LEU B 76 59.545 51.203 14.443 1.00 14.76 C ATOM 1566 CG LEU B 76 60.127 50.519 13.201 1.00 14.97 C ATOM 1567 CD1 LEU B 76 61.597 50.204 13.394 1.00 16.87 C ATOM 1568 CD2 LEU B 76 59.356 49.253 12.864 1.00 14.73 C ATOM 1569 H LEU B 76 58.621 53.076 12.781 1.00 0.00 H ATOM 1570 N VAL B 77 56.973 52.053 16.456 1.00 13.49 N ATOM 1571 CA VAL B 77 56.500 52.820 17.604 1.00 11.24 C ATOM 1572 C VAL B 77 57.005 52.156 18.875 1.00 16.04 C ATOM 1573 O VAL B 77 56.827 50.948 19.067 1.00 12.20 O ATOM 1574 CB VAL B 77 54.964 52.931 17.616 1.00 20.03 C ATOM 1575 CG1 VAL B 77 54.484 53.719 18.836 1.00 21.92 C ATOM 1576 CG2 VAL B 77 54.482 53.591 16.335 1.00 16.26 C ATOM 1577 H VAL B 77 56.700 51.053 16.378 1.00 0.00 H ATOM 1578 N GLY B 78 57.633 52.946 19.741 1.00 14.26 N ATOM 1579 CA GLY B 78 58.192 52.430 20.965 1.00 16.55 C ATOM 1580 C GLY B 78 58.825 53.516 21.810 1.00 16.81 C ATOM 1581 O GLY B 78 58.763 54.705 21.483 1.00 17.46 O ATOM 1582 H GLY B 78 57.723 53.960 19.530 1.00 0.00 H ATOM 1583 N PRO B 79 59.454 53.120 22.919 1.00 14.72 N ATOM 1584 CA PRO B 79 60.037 54.082 23.870 1.00 19.72 C ATOM 1585 C PRO B 79 61.338 54.696 23.363 1.00 25.27 C ATOM 1586 O PRO B 79 62.394 54.593 23.989 1.00 16.91 O ATOM 1587 CB PRO B 79 60.242 53.217 25.119 1.00 18.52 C ATOM 1588 CG PRO B 79 60.515 51.856 24.579 1.00 18.04 C ATOM 1589 CD PRO B 79 59.648 51.724 23.354 1.00 20.41 C ATOM 1590 N THR B 80 61.260 55.353 22.209 1.00 19.19 N ATOM 1591 CA THR B 80 62.433 56.078 21.739 1.00 17.44 C ATOM 1592 C THR B 80 62.455 57.472 22.358 1.00 15.75 C ATOM 1593 O THR B 80 61.399 58.078 22.554 1.00 15.89 O ATOM 1594 CB THR B 80 62.436 56.200 20.218 1.00 18.54 C ATOM 1595 OG1 THR B 80 63.539 57.020 19.815 1.00 13.26 O ATOM 1596 CG2 THR B 80 61.138 56.824 19.709 1.00 16.42 C ATOM 1597 HG1 THR B 80 63.447 57.918 20.221 1.00 0.00 H ATOM 1598 H THR B 80 60.380 55.349 21.654 1.00 0.00 H ATOM 1599 N PRO B 81 63.629 58.017 22.687 1.00 16.90 N ATOM 1600 CA PRO B 81 63.664 59.371 23.264 1.00 22.14 C ATOM 1601 C PRO B 81 63.384 60.475 22.261 1.00 23.55 C ATOM 1602 O PRO B 81 63.150 61.618 22.676 1.00 20.45 O ATOM 1603 CB PRO B 81 65.089 59.479 23.821 1.00 25.78 C ATOM 1604 CG PRO B 81 65.886 58.521 23.017 1.00 17.83 C ATOM 1605 CD PRO B 81 64.962 57.392 22.658 1.00 17.56 C ATOM 1606 N VAL B 82 63.391 60.177 20.964 1.00 19.37 N ATOM 1607 CA VAL B 82 63.235 61.191 19.929 1.00 12.99 C ATOM 1608 C VAL B 82 62.507 60.555 18.759 1.00 12.36 C ATOM 1609 O VAL B 82 62.684 59.368 18.468 1.00 16.00 O ATOM 1610 CB VAL B 82 64.603 61.762 19.476 1.00 20.51 C ATOM 1611 CG1 VAL B 82 64.419 62.841 18.404 1.00 30.52 C ATOM 1612 CG2 VAL B 82 65.373 62.320 20.660 1.00 27.41 C ATOM 1613 H VAL B 82 63.512 59.184 20.679 1.00 0.00 H ATOM 1614 N ASN B 83 61.679 61.352 18.088 1.00 13.61 N ATOM 1615 CA ASN B 83 61.070 60.911 16.840 1.00 15.07 C ATOM 1616 C ASN B 83 62.117 60.949 15.732 1.00 16.68 C ATOM 1617 O ASN B 83 62.795 61.966 15.541 1.00 13.73 O ATOM 1618 CB ASN B 83 59.883 61.802 16.466 1.00 20.88 C ATOM 1619 CG ASN B 83 58.688 61.639 17.397 1.00 24.62 C ATOM 1620 OD1 ASN B 83 58.276 60.524 17.723 1.00 20.07 O ATOM 1621 ND2 ASN B 83 58.113 62.763 17.811 1.00 17.81 N ATOM 1622 HD22 ASN B 83 58.494 63.683 17.511 1.00 0.00 H ATOM 1623 HD21 ASN B 83 57.282 62.723 18.435 1.00 0.00 H ATOM 1624 H ASN B 83 61.464 62.300 18.458 1.00 0.00 H ATOM 1625 N ILE B 84 62.238 59.846 14.994 1.00 11.37 N ATOM 1626 CA ILE B 84 63.311 59.638 14.025 1.00 13.72 C ATOM 1627 C ILE B 84 62.687 59.304 12.680 1.00 14.90 C ATOM 1628 O ILE B 84 62.003 58.282 12.551 1.00 10.12 O ATOM 1629 CB ILE B 84 64.260 58.512 14.468 1.00 13.47 C ATOM 1630 CG1 ILE B 84 65.034 58.943 15.710 1.00 14.16 C ATOM 1631 CG2 ILE B 84 65.234 58.109 13.337 1.00 13.30 C ATOM 1632 CD1 ILE B 84 65.670 57.800 16.450 1.00 18.02 C ATOM 1633 H ILE B 84 61.531 59.093 15.114 1.00 0.00 H ATOM 1634 N ILE B 85 62.924 60.152 11.684 1.00 10.14 N ATOM 1635 CA ILE B 85 62.552 59.851 10.307 1.00 10.73 C ATOM 1636 C ILE B 85 63.735 59.170 9.631 1.00 14.63 C ATOM 1637 O ILE B 85 64.803 59.773 9.462 1.00 14.74 O ATOM 1638 CB ILE B 85 62.138 61.116 9.543 1.00 9.57 C ATOM 1639 CG1 ILE B 85 61.024 61.864 10.281 1.00 16.16 C ATOM 1640 CG2 ILE B 85 61.692 60.753 8.132 1.00 9.05 C ATOM 1641 CD1 ILE B 85 59.752 61.055 10.502 1.00 21.39 C ATOM 1642 H ILE B 85 63.389 61.058 11.894 1.00 0.00 H ATOM 1643 N GLY B 86 63.539 57.913 9.233 1.00 11.69 N ATOM 1644 CA GLY B 86 64.590 57.107 8.656 1.00 10.65 C ATOM 1645 C GLY B 86 64.572 57.112 7.135 1.00 9.58 C ATOM 1646 O GLY B 86 63.703 57.688 6.488 1.00 13.81 O ATOM 1647 H GLY B 86 62.592 57.496 9.342 1.00 0.00 H ATOM 1648 N ARG B 87 65.561 56.415 6.568 1.00 10.33 N ATOM 1649 CA ARG B 87 65.756 56.441 5.122 1.00 11.60 C ATOM 1650 C ARG B 87 64.560 55.877 4.368 1.00 15.70 C ATOM 1651 O ARG B 87 64.321 56.263 3.216 1.00 17.89 O ATOM 1652 CB ARG B 87 67.019 55.668 4.746 1.00 12.44 C ATOM 1653 CG ARG B 87 68.303 56.305 5.241 1.00 13.17 C ATOM 1654 CD ARG B 87 69.536 55.583 4.710 1.00 14.60 C ATOM 1655 NE ARG B 87 69.618 54.205 5.193 1.00 13.64 N ATOM 1656 CZ ARG B 87 69.271 53.122 4.499 1.00 18.15 C ATOM 1657 NH1 ARG B 87 68.809 53.219 3.257 1.00 17.76 N ATOM 1658 NH2 ARG B 87 69.394 51.925 5.055 1.00 17.84 N ATOM 1659 HE ARG B 87 69.977 54.058 6.158 1.00 0.00 H ATOM 1660 HH12 ARG B 87 68.544 52.361 2.732 1.00 0.00 H ATOM 1661 HH11 ARG B 87 68.713 54.153 2.809 1.00 0.00 H ATOM 1662 HH22 ARG B 87 69.126 51.074 4.521 1.00 0.00 H ATOM 1663 HH21 ARG B 87 69.759 51.837 6.025 1.00 0.00 H ATOM 1664 H ARG B 87 66.198 55.848 7.163 1.00 0.00 H ATOM 1665 N ASN B 88 63.799 54.966 4.985 1.00 13.32 N ATOM 1666 CA ASN B 88 62.648 54.395 4.291 1.00 13.81 C ATOM 1667 C ASN B 88 61.664 55.476 3.869 1.00 16.06 C ATOM 1668 O ASN B 88 60.997 55.335 2.838 1.00 16.27 O ATOM 1669 CB ASN B 88 61.954 53.343 5.165 1.00 12.92 C ATOM 1670 CG ASN B 88 61.219 53.938 6.347 1.00 17.39 C ATOM 1671 OD1 ASN B 88 61.771 54.733 7.109 1.00 15.51 O ATOM 1672 ND2 ASN B 88 59.959 53.547 6.511 1.00 17.96 N ATOM 1673 HD22 ASN B 88 59.532 52.874 5.843 1.00 0.00 H ATOM 1674 HD21 ASN B 88 59.400 53.915 7.307 1.00 0.00 H ATOM 1675 H ASN B 88 64.026 54.666 5.954 1.00 0.00 H ATOM 1676 N LEU B 89 61.571 56.564 4.633 1.00 12.67 N ATOM 1677 CA LEU B 89 60.725 57.697 4.276 1.00 13.54 C ATOM 1678 C LEU B 89 61.498 58.870 3.679 1.00 17.71 C ATOM 1679 O LEU B 89 60.937 59.612 2.865 1.00 16.00 O ATOM 1680 CB LEU B 89 59.952 58.185 5.509 1.00 15.66 C ATOM 1681 CG LEU B 89 59.031 57.158 6.178 1.00 18.39 C ATOM 1682 CD1 LEU B 89 58.295 57.778 7.351 1.00 18.98 C ATOM 1683 CD2 LEU B 89 58.040 56.592 5.188 1.00 13.65 C ATOM 1684 H LEU B 89 62.121 56.607 5.515 1.00 0.00 H ATOM 1685 N LEU B 90 62.767 59.060 4.055 1.00 10.86 N ATOM 1686 CA LEU B 90 63.548 60.155 3.483 1.00 11.38 C ATOM 1687 C LEU B 90 63.689 60.010 1.973 1.00 15.30 C ATOM 1688 O LEU B 90 63.707 61.012 1.247 1.00 16.88 O ATOM 1689 CB LEU B 90 64.931 60.218 4.129 1.00 10.97 C ATOM 1690 CG LEU B 90 65.007 60.580 5.610 1.00 8.50 C ATOM 1691 CD1 LEU B 90 66.439 60.467 6.093 1.00 12.86 C ATOM 1692 CD2 LEU B 90 64.484 61.978 5.868 1.00 12.95 C ATOM 1693 H LEU B 90 63.200 58.426 4.757 1.00 0.00 H ATOM 1694 N THR B 91 63.821 58.775 1.480 1.00 13.86 N ATOM 1695 CA THR B 91 63.892 58.566 0.037 1.00 15.38 C ATOM 1696 C THR B 91 62.604 59.002 -0.645 1.00 27.85 C ATOM 1697 O THR B 91 62.635 59.471 -1.789 1.00 29.47 O ATOM 1698 CB THR B 91 64.173 57.095 -0.281 1.00 19.53 C ATOM 1699 OG1 THR B 91 63.200 56.268 0.367 1.00 19.64 O ATOM 1700 CG2 THR B 91 65.563 56.696 0.177 1.00 20.21 C ATOM 1701 HG1 THR B 91 63.249 56.408 1.346 1.00 0.00 H ATOM 1702 H THR B 91 63.873 57.961 2.126 1.00 0.00 H ATOM 1703 N GLN B 92 61.467 58.863 0.042 1.00 23.96 N ATOM 1704 CA GLN B 92 60.173 59.162 -0.554 1.00 20.91 C ATOM 1705 C GLN B 92 59.899 60.653 -0.662 1.00 30.15 C ATOM 1706 O GLN B 92 59.006 61.049 -1.419 1.00 24.75 O ATOM 1707 CB GLN B 92 59.056 58.501 0.255 1.00 22.90 C ATOM 1708 CG GLN B 92 59.163 56.987 0.306 1.00 20.18 C ATOM 1709 CD GLN B 92 57.960 56.334 0.957 1.00 25.07 C ATOM 1710 OE1 GLN B 92 56.839 56.824 0.850 1.00 23.68 O ATOM 1711 NE2 GLN B 92 58.192 55.216 1.639 1.00 28.49 N ATOM 1712 HE22 GLN B 92 59.158 54.837 1.703 1.00 0.00 H ATOM 1713 HE21 GLN B 92 57.407 54.721 2.108 1.00 0.00 H ATOM 1714 H GLN B 92 61.507 58.533 1.027 1.00 0.00 H ATOM 1715 N ILE B 93 60.628 61.486 0.081 1.00 22.10 N ATOM 1716 CA ILE B 93 60.471 62.930 -0.018 1.00 15.79 C ATOM 1717 C ILE B 93 61.608 63.564 -0.811 1.00 15.16 C ATOM 1718 O ILE B 93 61.686 64.793 -0.902 1.00 30.26 O ATOM 1719 CB ILE B 93 60.338 63.571 1.374 1.00 20.97 C ATOM 1720 CG1 ILE B 93 61.614 63.364 2.198 1.00 19.27 C ATOM 1721 CG2 ILE B 93 59.122 62.986 2.101 1.00 17.34 C ATOM 1722 CD1 ILE B 93 61.633 64.127 3.497 1.00 23.59 C ATOM 1723 H ILE B 93 61.325 61.095 0.747 1.00 0.00 H ATOM 1724 N GLY B 94 62.486 62.754 -1.397 1.00 15.70 N ATOM 1725 CA GLY B 94 63.561 63.272 -2.222 1.00 24.89 C ATOM 1726 C GLY B 94 64.714 63.874 -1.453 1.00 30.64 C ATOM 1727 O GLY B 94 65.363 64.802 -1.948 1.00 21.03 O ATOM 1728 H GLY B 94 62.400 61.727 -1.261 1.00 0.00 H ATOM 1729 N CYS B 95 64.997 63.368 -0.255 1.00 18.69 N ATOM 1730 CA CYS B 95 66.037 63.928 0.597 1.00 18.21 C ATOM 1731 C CYS B 95 67.396 63.336 0.252 1.00 20.03 C ATOM 1732 O CYS B 95 67.532 62.124 0.051 1.00 23.99 O ATOM 1733 CB CYS B 95 65.716 63.674 2.070 1.00 19.51 C ATOM 1734 SG CYS B 95 66.796 64.538 3.231 1.00 20.04 S ATOM 1735 H CYS B 95 64.458 62.546 0.084 1.00 0.00 H ATOM 1736 N THR B 96 68.402 64.206 0.190 1.00 16.89 N ATOM 1737 CA THR B 96 69.764 63.807 -0.118 1.00 14.08 C ATOM 1738 C THR B 96 70.724 64.527 0.819 1.00 13.33 C ATOM 1739 O THR B 96 70.406 65.578 1.381 1.00 16.38 O ATOM 1740 CB THR B 96 70.135 64.123 -1.575 1.00 23.30 C ATOM 1741 OG1 THR B 96 69.905 65.515 -1.839 1.00 19.38 O ATOM 1742 CG2 THR B 96 69.310 63.280 -2.543 1.00 24.51 C ATOM 1743 HG1 THR B 96 68.949 65.725 -1.689 1.00 0.00 H ATOM 1744 H THR B 96 68.205 65.211 0.369 1.00 0.00 H ATOM 1745 N LEU B 97 71.904 63.933 0.981 1.00 17.33 N ATOM 1746 CA LEU B 97 73.037 64.588 1.615 1.00 17.74 C ATOM 1747 C LEU B 97 73.912 65.212 0.542 1.00 20.16 C ATOM 1748 O LEU B 97 74.097 64.638 -0.534 1.00 24.72 O ATOM 1749 CB LEU B 97 73.871 63.597 2.425 1.00 16.53 C ATOM 1750 CG LEU B 97 73.290 63.044 3.719 1.00 19.13 C ATOM 1751 CD1 LEU B 97 74.172 61.913 4.217 1.00 22.49 C ATOM 1752 CD2 LEU B 97 73.194 64.131 4.766 1.00 19.38 C ATOM 1753 H LEU B 97 72.021 62.958 0.639 1.00 0.00 H ATOM 1754 N ASN B 98 74.463 66.382 0.845 1.00 17.26 N ATOM 1755 CA ASN B 98 75.247 67.120 -0.132 1.00 19.38 C ATOM 1756 C ASN B 98 76.420 67.791 0.556 1.00 18.35 C ATOM 1757 O ASN B 98 76.242 68.469 1.573 1.00 20.50 O ATOM 1758 CB ASN B 98 74.386 68.167 -0.839 1.00 20.17 C ATOM 1759 CG ASN B 98 73.211 67.554 -1.559 1.00 25.43 C ATOM 1760 OD1 ASN B 98 72.167 67.292 -0.959 1.00 25.90 O ATOM 1761 ND2 ASN B 98 73.374 67.313 -2.852 1.00 23.17 N ATOM 1762 HD22 ASN B 98 74.274 67.551 -3.316 1.00 0.00 H ATOM 1763 HD21 ASN B 98 72.602 66.886 -3.403 1.00 0.00 H ATOM 1764 H ASN B 98 74.331 66.777 1.798 1.00 0.00 H ATOM 1765 N PHE B 99 77.608 67.600 -0.007 1.00 21.18 N ATOM 1766 CA PHE B 99 78.793 68.329 0.422 1.00 18.49 C ATOM 1767 C PHE B 99 79.818 68.336 -0.705 1.00 33.32 C ATOM 1768 O PHE B 99 80.886 68.936 -0.591 1.00 27.06 O ATOM 1769 CB PHE B 99 79.392 67.726 1.700 1.00 19.24 C ATOM 1770 CG PHE B 99 79.802 66.287 1.576 1.00 15.47 C ATOM 1771 CD1 PHE B 99 78.900 65.271 1.834 1.00 22.48 C ATOM 1772 CD2 PHE B 99 81.104 65.951 1.243 1.00 22.28 C ATOM 1773 CE1 PHE B 99 79.283 63.944 1.739 1.00 23.22 C ATOM 1774 CE2 PHE B 99 81.492 64.630 1.146 1.00 29.01 C ATOM 1775 CZ PHE B 99 80.581 63.625 1.394 1.00 30.14 C ATOM 1776 OXT PHE B 99 79.592 67.742 -1.761 1.00 26.19 O ATOM 1777 H PHE B 99 77.694 66.908 -0.778 1.00 0.00 H TER 1778 PHE B 99 HETATM 1779 O HOH 1 64.804 49.134 10.562 1.00 25.08 O HETATM 1780 O HOH 2 59.616 64.482 20.774 1.00 44.00 O HETATM 1781 O HOH 3 81.697 70.551 0.928 1.00 27.70 O HETATM 1782 O HOH 4 56.524 62.830 -1.202 1.00 22.48 O HETATM 1783 O HOH 5 61.258 71.505 16.686 1.00 34.95 O HETATM 1784 O HOH 6 43.760 63.877 14.964 1.00 21.95 O HETATM 1785 O HOH 7 60.167 52.166 9.325 1.00 29.59 O HETATM 1786 O HOH 8 69.425 71.241 11.319 1.00 18.47 O HETATM 1787 O HOH 9 69.547 75.228 8.000 1.00 29.89 O HETATM 1788 O HOH 10 67.710 66.159 -3.010 1.00 22.94 O HETATM 1789 O HOH 11 57.919 64.935 -2.064 1.00 30.93 O HETATM 1790 O HOH 12 82.394 68.755 -2.719 1.00 39.41 O HETATM 1791 O HOH 13 57.498 48.702 22.856 1.00 30.58 O HETATM 1792 O HOH 14 61.104 45.317 10.181 1.00 28.81 O HETATM 1793 O HOH 15 67.221 59.883 -1.350 1.00 17.10 O HETATM 1794 O HOH 16 50.531 51.949 24.148 1.00 45.51 O HETATM 1795 O HOH 17 46.413 66.997 15.571 1.00 34.58 O HETATM 1796 O HOH 18 57.765 39.762 15.041 1.00 32.21 O HETATM 1797 O HOH 19 71.610 74.504 11.372 1.00 19.85 O HETATM 1798 O HOH 20 54.911 69.929 16.127 1.00 29.22 O HETATM 1799 O HOH 21 66.709 71.846 15.962 1.00 24.11 O HETATM 1800 O HOH 22 71.552 52.778 9.336 1.00 15.33 O HETATM 1801 O HOH 23 62.385 48.149 25.072 1.00 22.42 O HETATM 1802 O HOH 24 64.502 65.400 -4.462 1.00 16.05 O HETATM 1803 O HOH 25 48.704 58.645 9.435 1.00 23.47 O HETATM 1804 O HOH 26 55.066 73.232 13.213 1.00 38.60 O HETATM 1805 O HOH 27 61.575 66.538 -3.034 1.00 37.08 O HETATM 1806 O HOH 28 67.165 51.105 2.553 1.00 33.67 O HETATM 1807 O HOH 29 44.275 61.261 15.873 1.00 25.43 O HETATM 1808 O HOH 30 59.405 72.312 12.691 1.00 30.74 O HETATM 1809 O HOH 31 50.722 47.373 10.166 1.00 28.43 O HETATM 1810 O HOH 32 49.810 61.966 7.614 1.00 32.76 O HETATM 1811 O HOH 33 71.424 54.547 7.305 1.00 12.42 O HETATM 1812 O HOH 34 60.500 53.017 1.341 1.00 33.74 O HETATM 1813 O HOH 35 75.961 50.271 22.722 1.00 21.26 O HETATM 1814 O HOH 36 67.748 49.132 26.345 1.00 28.34 O HETATM 1815 O HOH 37 55.047 49.771 4.874 1.00 23.61 O HETATM 1816 O HOH 38 67.515 47.206 7.939 1.00 47.95 O HETATM 1817 O HOH 39 65.065 43.193 13.288 1.00 42.62 O HETATM 1818 O HOH 40 65.540 51.450 4.742 1.00 23.95 O HETATM 1819 O HOH 41 71.539 50.167 28.357 1.00 34.13 O HETATM 1820 O HOH 42 50.720 65.557 18.725 1.00 33.35 O HETATM 1821 O HOH 43 64.685 48.609 6.332 1.00 43.08 O HETATM 1822 O HOH 44 65.353 72.148 13.284 1.00 42.17 O HETATM 1823 O HOH 45 58.978 71.780 9.989 1.00 24.53 O HETATM 1824 O HOH 46 69.208 76.694 5.584 1.00 41.76 O HETATM 1825 O HOH 47 60.901 49.747 5.480 1.00 36.78 O HETATM 1826 O HOH 48 69.341 49.655 3.327 1.00 39.60 O HETATM 1827 O HOH 49 58.773 51.488 4.531 1.00 21.31 O HETATM 1828 O HOH 50 59.682 71.777 0.158 1.00 25.74 O HETATM 1829 O HOH 51 69.055 51.615 11.343 1.00 15.08 O HETATM 1830 O HOH 52 61.235 64.111 18.821 1.00 30.13 O HETATM 1831 O HOH 53 65.780 66.413 19.784 1.00 26.95 O HETATM 1832 O HOH 54 68.590 47.000 14.833 1.00 18.19 O HETATM 1833 O HOH 55 58.634 57.487 23.337 1.00 29.40 O HETATM 1834 O HOH 56 48.558 67.469 16.812 1.00 24.64 O HETATM 1835 O HOH 57 65.327 71.662 10.435 1.00 26.72 O HETATM 1836 O HOH 58 77.153 72.682 15.849 1.00 27.48 O HETATM 1837 O HOH 59 48.768 43.080 16.018 1.00 30.02 O HETATM 1838 O HOH 60 69.358 46.192 25.376 1.00 32.59 O HETATM 1839 O HOH 61 47.273 62.122 9.336 1.00 37.26 O HETATM 1840 O HOH 62 69.969 71.168 18.335 1.00 23.05 O HETATM 1841 O HOH 63 56.942 66.069 19.153 1.00 27.80 O HETATM 1842 O HOH 64 75.633 68.432 -4.579 1.00 35.20 O HETATM 1843 O HOH 65 73.617 72.179 -1.993 1.00 44.81 O HETATM 1844 O HOH 66 61.204 47.414 9.084 1.00 31.94 O HETATM 1845 O HOH 67 65.060 44.824 9.295 1.00 50.82 O HETATM 1846 O HOH 68 70.784 45.376 24.215 1.00 32.09 O HETATM 1847 O HOH 69 67.103 44.252 14.199 1.00 45.66 O HETATM 1848 O HOH 70 48.780 58.077 22.273 1.00 31.15 O HETATM 1849 O HOH 71 61.027 59.738 -4.543 1.00 32.92 O HETATM 1850 O HOH 72 45.431 46.532 10.038 1.00 43.43 O HETATM 1851 O HOH 73 53.786 68.524 7.528 1.00 36.88 O HETATM 1852 O HOH 74 64.816 42.207 10.362 1.00 45.10 O HETATM 1853 O HOH 75 60.942 55.786 -2.200 1.00 38.55 O HETATM 1854 O HOH 76 64.706 45.797 25.802 1.00 48.86 O HETATM 1855 O HOH 77 54.480 69.147 18.365 1.00 36.90 O HETATM 1856 O HOH 78 58.559 51.713 2.514 1.00 34.20 O HETATM 1857 O HOH 79 67.218 72.817 11.585 1.00 24.18 O HETATM 1858 O HOH 80 47.145 69.792 9.307 1.00 40.32 O HETATM 1859 O HOH 81 54.822 46.719 3.968 1.00 43.32 O HETATM 1860 O HOH 82 68.176 62.738 23.499 1.00 46.83 O HETATM 1861 O HOH 83 76.798 77.262 6.330 1.00 30.76 O HETATM 1862 O HOH 84 76.439 71.023 -1.549 1.00 36.75 O HETATM 1863 O HOH 85 72.254 46.906 15.159 1.00 42.16 O HETATM 1864 O HOH 86 68.332 75.095 10.369 1.00 38.12 O HETATM 1865 O HOH 87 70.414 50.029 12.079 1.00 32.43 O HETATM 1866 O HOH 88 66.485 68.787 20.308 1.00 31.76 O HETATM 1867 O HOH 89 59.708 57.552 -3.940 1.00 29.57 O HETATM 1868 O HOH 90 67.894 71.762 18.633 1.00 37.96 O HETATM 1869 O HOH 91 74.070 46.142 25.099 1.00 36.26 O HETATM 1870 O HOH 92 66.716 74.904 18.854 1.00 46.03 O HETATM 1871 O HOH 93 63.514 73.603 8.982 1.00 39.47 O HETATM 1872 O HOH 94 52.722 70.623 8.737 1.00 43.06 O HETATM 1873 O HOH 95 63.206 66.202 19.779 1.00 28.37 O HETATM 1874 O HOH 96 86.758 70.256 5.318 1.00 29.31 O HETATM 1875 O HOH 97 85.359 49.020 13.633 1.00 38.89 O HETATM 1876 O HOH 98 73.434 56.458 0.400 1.00 18.50 O HETATM 1877 O HOH 99 80.577 49.577 7.790 1.00 39.90 O HETATM 1878 O HOH 100 77.977 54.308 0.480 1.00 36.52 O HETATM 1879 O HOH 101 81.107 65.967 19.771 1.00 33.26 O HETATM 1880 O HOH 102 89.385 71.559 15.472 1.00 17.80 O HETATM 1881 O HOH 103 94.008 61.298 12.997 1.00 23.10 O HETATM 1882 O HOH 104 77.339 67.439 21.289 1.00 42.00 O HETATM 1883 O HOH 105 91.942 64.355 23.690 1.00 29.26 O HETATM 1884 O HOH 106 79.890 46.613 13.942 1.00 34.59 O HETATM 1885 O HOH 107 82.961 70.600 15.181 1.00 22.73 O HETATM 1886 O HOH 108 70.274 56.996 -6.313 1.00 22.01 O HETATM 1887 O HOH 109 71.521 55.151 19.070 1.00 14.40 O HETATM 1888 O HOH 110 98.731 55.114 11.033 1.00 36.30 O HETATM 1889 O HOH 111 66.143 53.974 25.684 1.00 29.25 O HETATM 1890 O HOH 112 86.580 53.005 24.360 1.00 30.24 O HETATM 1891 O HOH 113 75.812 51.669 1.435 1.00 29.37 O HETATM 1892 O HOH 114 75.684 71.875 7.901 1.00 20.92 O HETATM 1893 O HOH 115 87.815 68.810 19.243 1.00 18.07 O HETATM 1894 O HOH 116 81.309 47.798 18.445 1.00 16.81 O HETATM 1895 O HOH 117 70.588 64.230 17.444 1.00 13.12 O HETATM 1896 O HOH 118 68.460 72.532 -1.786 1.00 37.21 O HETATM 1897 O HOH 119 80.078 62.216 30.161 1.00 30.79 O HETATM 1898 O HOH 120 73.667 51.040 29.580 1.00 22.81 O HETATM 1899 O HOH 121 89.797 64.565 25.692 1.00 38.56 O HETATM 1900 O HOH 122 87.430 53.078 -0.087 1.00 27.35 O HETATM 1901 O HOH 123 79.220 72.138 1.019 1.00 28.88 O HETATM 1902 O HOH 124 93.130 61.660 8.711 1.00 32.93 O HETATM 1903 O HOH 125 75.988 48.672 6.697 1.00 40.03 O HETATM 1904 O HOH 126 71.036 65.498 15.061 1.00 12.73 O HETATM 1905 O HOH 127 77.299 68.522 17.512 1.00 24.40 O HETATM 1906 O HOH 128 74.300 61.649 25.455 1.00 26.17 O HETATM 1907 O HOH 129 75.901 71.354 1.223 1.00 22.47 O HETATM 1908 O HOH 130 91.826 66.467 8.811 1.00 29.24 O HETATM 1909 O HOH 131 76.454 59.474 -4.804 1.00 32.15 O HETATM 1910 O HOH 132 71.106 55.355 -2.494 1.00 19.44 O HETATM 1911 O HOH 133 86.058 50.167 11.853 1.00 36.80 O HETATM 1912 O HOH 134 83.779 48.560 19.784 1.00 17.38 O HETATM 1913 O HOH 135 79.335 64.760 23.454 1.00 44.39 O HETATM 1914 O HOH 136 75.965 50.209 28.236 1.00 39.64 O HETATM 1915 O HOH 137 75.348 65.296 22.529 1.00 40.33 O HETATM 1916 O HOH 138 82.101 63.539 18.732 1.00 14.34 O HETATM 1917 O HOH 139 81.245 50.161 11.778 1.00 19.94 O HETATM 1918 O HOH 140 76.031 70.674 17.030 1.00 40.10 O HETATM 1919 O HOH 141 79.504 51.181 28.622 1.00 18.35 O HETATM 1920 O HOH 142 85.409 70.365 3.074 1.00 32.29 O HETATM 1921 O HOH 143 86.471 52.128 14.669 1.00 33.79 O HETATM 1922 O HOH 144 81.668 50.393 9.575 1.00 35.55 O HETATM 1923 O HOH 145 69.433 58.435 25.316 1.00 34.85 O HETATM 1924 O HOH 146 84.125 68.633 17.392 1.00 18.33 O HETATM 1925 O HOH 147 77.080 64.988 24.066 1.00 44.38 O HETATM 1926 O HOH 148 88.779 60.128 2.740 1.00 38.22 O HETATM 1927 O HOH 149 73.711 50.965 10.092 1.00 23.63 O HETATM 1928 O HOH 150 79.531 72.164 14.597 1.00 28.41 O HETATM 1929 O HOH 151 65.652 52.097 1.043 1.00 43.90 O HETATM 1930 O HOH 152 83.978 56.807 30.348 1.00 35.67 O HETATM 1931 O HOH 153 73.566 71.043 18.360 1.00 38.09 O HETATM 1932 O HOH 154 91.167 72.339 5.135 1.00 39.16 O HETATM 1933 O HOH 155 78.407 67.337 -5.076 1.00 38.44 O HETATM 1934 O HOH 156 78.982 52.263 9.707 1.00 28.42 O HETATM 1935 O HOH 157 94.615 51.706 6.314 1.00 43.57 O HETATM 1936 O HOH 158 92.890 63.895 29.498 1.00 38.89 O HETATM 1937 O HOH 159 79.258 63.599 26.201 1.00 44.85 O HETATM 1938 O HOH 160 74.112 58.609 -4.486 1.00 32.04 O HETATM 1939 O HOH 161 83.656 56.920 0.196 1.00 24.88 O HETATM 1940 O HOH 162 85.849 49.783 9.097 1.00 27.39 O HETATM 1941 O HOH 163 73.705 61.949 23.535 1.00 39.43 O HETATM 1942 O HOH 164 72.720 45.372 9.746 1.00 39.91 O HETATM 1943 O HOH 165 72.543 49.503 2.388 1.00 28.20 O HETATM 1944 O HOH 166 82.691 60.148 33.186 1.00 40.34 O HETATM 1945 O HOH 167 82.273 65.288 -5.481 1.00 44.98 O HETATM 1946 O HOH 168 66.703 70.933 -3.024 1.00 28.33 O HETATM 1947 O HOH 169 73.178 69.634 20.288 1.00 45.54 O HETATM 1948 O HOH 170 95.563 65.053 18.255 1.00 39.07 O HETATM 1949 O HOH 171 75.987 55.656 -0.414 1.00 33.85 O HETATM 1950 O HOH 172 83.313 72.674 3.037 1.00 38.46 O HETATM 1951 O HOH 173 93.601 70.094 1.770 1.00 42.29 O HETATM 1952 O HOH 174 75.640 69.382 19.526 1.00 40.52 O HETATM 1953 O HOH 175 97.246 60.701 8.375 1.00 32.25 O HETATM 1954 O HOH 176 82.370 52.982 0.892 1.00 44.58 O HETATM 1955 O HOH 177 84.205 68.563 27.223 1.00 42.30 O HETATM 1956 O HOH 178 83.753 66.173 -4.083 1.00 46.04 O HETATM 1957 O HOH 179 76.591 74.070 1.668 1.00 43.86 O HETATM 1958 O HOH 180 81.903 68.442 19.765 1.00 42.60 O HETATM 1959 O HOH 181 79.603 47.712 11.366 1.00 41.77 O HETATM 1960 O HOH 182 79.019 70.442 16.647 1.00 37.54 O HETATM 1961 O HOH 183 81.458 65.757 22.983 1.00 34.41 O HETATM 1962 O HOH 184 77.270 74.025 6.950 1.00 44.64 O HETATM 1963 O HOH 185 71.650 71.387 19.401 1.00 38.39 O HETATM 1964 O HOH 186 87.849 50.770 4.233 1.00 34.36 O HETATM 1965 O HOH 187 91.883 49.038 5.042 1.00 48.63 O HETATM 1966 O HOH 188 67.540 68.576 -4.480 1.00 19.08 O HETATM 1967 O HOH 189 74.397 48.962 2.399 1.00 37.10 O HETATM 1968 O HOH 190 76.410 50.896 8.996 1.00 38.78 O HETATM 1969 O HOH 191 83.792 64.813 32.491 1.00 33.41 O HETATM 1970 O HOH 192 69.757 50.619 -3.949 1.00 29.45 O HETATM 1971 O HOH 193 78.419 51.307 0.654 1.00 39.38 O HETATM 1972 O HOH 194 81.306 72.578 16.046 1.00 33.96 O HETATM 1973 O HOH 195 97.550 57.304 27.714 1.00 52.79 O HETATM 1974 O HOH 196 71.035 47.870 1.996 1.00 46.07 O HETATM 1975 O HOH 197 90.731 45.081 24.231 1.00 46.46 O HETATM 1976 C1 K A 2 65.593 50.948 12.838 1.00 0.08 C HETATM 1977 O1 K A 2 66.094 51.004 11.539 1.00 -0.38 O HETATM 1978 H3 K A 2 65.568 50.450 10.974 1.00 0.21 H HETATM 1979 C2 K A 2 66.483 51.852 13.666 1.00 -0.02 C HETATM 1980 C3 K A 2 67.596 51.235 14.497 1.00 -0.06 C HETATM 1981 C4 K A 2 68.494 52.136 15.318 1.00 -0.04 C HETATM 1982 C5 K A 2 68.257 53.632 15.271 1.00 0.10 C HETATM 1983 C6 K A 2 67.153 54.265 14.441 1.00 -0.04 C HETATM 1984 C7 K A 2 66.259 53.358 13.619 1.00 -0.06 C HETATM 1985 H7 K A 2 65.470 53.776 13.005 1.00 0.06 H HETATM 1986 H6 K A 2 67.008 55.339 14.437 1.00 0.06 H HETATM 1987 S8 K A 2 69.332 54.679 16.246 1.00 0.07 S HETATM 1988 O9 K A 2 68.552 55.743 16.873 1.00 -0.15 O HETATM 1989 O10 K A 2 69.916 53.916 17.352 1.00 -0.15 O HETATM 1990 N11 K A 2 70.527 55.290 15.197 1.00 -0.23 N HETATM 1991 C12 K A 2 71.247 54.260 14.462 1.00 0.03 C HETATM 1992 C13 K A 2 72.746 54.537 14.488 1.00 -0.03 C HETATM 1993 C14 K A 2 73.266 54.497 15.924 1.00 -0.06 C HETATM 1994 H11 K A 2 74.347 54.698 15.928 1.00 0.02 H HETATM 1995 H12 K A 2 73.076 53.503 16.355 1.00 0.02 H HETATM 1996 H13 K A 2 72.749 55.261 16.523 1.00 0.02 H HETATM 1997 C15 K A 2 73.450 53.488 13.623 1.00 -0.05 C HETATM 1998 C18 K A 2 73.366 52.090 14.232 1.00 -0.07 C HETATM 1999 H19 K A 2 73.884 51.373 13.578 1.00 0.02 H HETATM 2000 H20 K A 2 72.311 51.797 14.334 1.00 0.02 H HETATM 2001 H21 K A 2 73.843 52.093 15.223 1.00 0.02 H HETATM 2002 H14 K A 2 74.509 53.767 13.520 1.00 0.03 H HETATM 2003 H15 K A 2 72.977 53.471 12.630 1.00 0.03 H HETATM 2004 H10 K A 2 72.938 55.536 14.070 1.00 0.03 H HETATM 2005 H8 K A 2 70.899 54.249 13.419 1.00 0.05 H HETATM 2006 H9 K A 2 71.051 53.281 14.924 1.00 0.05 H HETATM 2007 C16 K A 2 70.206 56.538 14.532 1.00 0.06 C HETATM 2008 C17 K A 2 71.096 57.658 15.068 1.00 0.10 C HETATM 2009 O18 K A 2 70.973 58.780 14.242 1.00 -0.39 O HETATM 2010 H22 K A 2 71.242 58.553 13.360 1.00 0.21 H HETATM 2011 C19 K A 2 70.709 58.039 16.498 1.00 0.08 C HETATM 2012 N20 K A 2 71.674 59.000 16.979 1.00 -0.26 N HETATM 2013 C21 K A 2 72.674 58.660 17.956 1.00 0.32 C HETATM 2014 O22 K A 2 72.697 57.597 18.502 1.00 -0.38 O HETATM 2015 O23 K A 2 73.607 59.676 18.192 1.00 -0.26 O HETATM 2016 C24 K A 2 74.541 59.553 19.348 1.00 0.12 C HETATM 2017 C25 K A 2 75.644 59.919 18.982 1.00 0.08 C HETATM 2018 O26 K A 2 75.511 61.437 18.937 1.00 -0.35 O HETATM 2019 C27 K A 2 74.570 61.737 20.074 1.00 0.16 C HETATM 2020 O28 K A 2 73.305 62.650 19.536 1.00 -0.35 O HETATM 2021 C29 K A 2 72.239 61.920 19.573 1.00 0.05 C HETATM 2022 C30 K A 2 72.540 60.809 20.548 1.00 -0.02 C HETATM 2023 C31 K A 2 74.115 60.644 20.475 1.00 0.04 C HETATM 2024 H33 K A 2 74.522 60.369 21.459 1.00 0.04 H HETATM 2025 H31 K A 2 72.036 59.879 20.247 1.00 0.03 H HETATM 2026 H32 K A 2 72.223 61.086 21.564 1.00 0.03 H HETATM 2027 H29 K A 2 72.022 61.508 18.577 1.00 0.06 H HETATM 2028 H30 K A 2 71.380 62.513 19.920 1.00 0.06 H HETATM 2029 H28 K A 2 75.100 62.260 20.883 1.00 0.09 H HETATM 2030 H26 K A 2 75.884 59.515 17.988 1.00 0.06 H HETATM 2031 H27 K A 2 76.419 59.612 19.699 1.00 0.06 H HETATM 2032 H25 K A 2 74.553 58.528 19.747 1.00 0.07 H HETATM 2033 H24 K A 2 71.646 59.933 16.621 1.00 0.19 H HETATM 2034 C32 K A 2 69.342 58.714 16.567 1.00 0.01 C HETATM 2035 C38 K A 2 69.119 59.195 18.001 1.00 -0.04 C HETATM 2036 C33 K A 2 68.786 58.190 19.097 1.00 -0.06 C HETATM 2037 C34 K A 2 68.569 58.665 20.531 1.00 -0.07 C HETATM 2038 C35 K A 2 68.691 60.148 20.866 1.00 -0.07 C HETATM 2039 C36 K A 2 69.028 61.151 19.768 1.00 -0.07 C HETATM 2040 C37 K A 2 69.245 60.674 18.335 1.00 -0.06 C HETATM 2041 H40 K A 2 69.489 61.388 17.556 1.00 0.06 H HETATM 2042 H39 K A 2 69.114 62.205 20.006 1.00 0.06 H HETATM 2043 H38 K A 2 68.538 60.489 21.884 1.00 0.06 H HETATM 2044 H37 K A 2 68.329 57.950 21.310 1.00 0.06 H HETATM 2045 H36 K A 2 68.703 57.136 18.858 1.00 0.06 H HETATM 2046 H34 K A 2 68.557 57.995 16.289 1.00 0.04 H HETATM 2047 H35 K A 2 69.315 59.571 15.878 1.00 0.04 H HETATM 2048 H23 K A 2 70.711 57.139 17.131 1.00 0.06 H HETATM 2049 H18 K A 2 72.141 57.316 15.062 1.00 0.06 H HETATM 2050 H16 K A 2 69.151 56.790 14.718 1.00 0.05 H HETATM 2051 H17 K A 2 70.371 56.428 13.450 1.00 0.05 H HETATM 2052 H5 K A 2 69.289 51.720 15.926 1.00 0.06 H HETATM 2053 H4 K A 2 67.745 50.161 14.502 1.00 0.06 H HETATM 2054 H1 K A 2 65.634 49.917 13.220 1.00 0.07 H HETATM 2055 H2 K A 2 64.554 51.307 12.863 1.00 0.07 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 881 882 887 888 889 CONECT 888 881 CONECT 889 881 CONECT 1976 1977 1979 2054 2055 CONECT 1977 1976 1978 CONECT 1978 1977 CONECT 1979 1976 1980 1984 CONECT 1980 1979 1981 2053 CONECT 1981 1980 1982 2052 CONECT 1982 1981 1983 1987 CONECT 1983 1982 1984 1986 CONECT 1984 1979 1983 1985 CONECT 1985 1984 CONECT 1986 1983 CONECT 1987 1982 1988 1989 1990 CONECT 1988 1987 CONECT 1989 1987 CONECT 1990 1987 1991 2007 CONECT 1991 1990 1992 2005 2006 CONECT 1992 1991 1993 1997 2004 CONECT 1993 1992 1994 1995 1996 CONECT 1994 1993 CONECT 1995 1993 CONECT 1996 1993 CONECT 1997 1992 1998 2002 2003 CONECT 1998 1997 1999 2000 2001 CONECT 1999 1998 CONECT 2000 1998 CONECT 2001 1998 CONECT 2002 1997 CONECT 2003 1997 CONECT 2004 1992 CONECT 2005 1991 CONECT 2006 1991 CONECT 2007 1990 2008 2050 2051 CONECT 2008 2007 2009 2011 2049 CONECT 2009 2008 2010 CONECT 2010 2009 CONECT 2011 2008 2012 2034 2048 CONECT 2012 2011 2013 2033 CONECT 2013 2012 2014 2015 CONECT 2014 2013 CONECT 2015 2013 2016 CONECT 2016 2015 2017 2023 2032 CONECT 2017 2016 2018 2030 2031 CONECT 2018 2017 2019 CONECT 2019 2018 2020 2023 2029 CONECT 2020 2019 2021 CONECT 2021 2020 2022 2027 2028 CONECT 2022 2021 2023 2025 2026 CONECT 2023 2016 2019 2022 2024 CONECT 2024 2023 CONECT 2025 2022 CONECT 2026 2022 CONECT 2027 2021 CONECT 2028 2021 CONECT 2029 2019 CONECT 2030 2017 CONECT 2031 2017 CONECT 2032 2016 CONECT 2033 2012 CONECT 2034 2011 2035 2046 2047 CONECT 2035 2034 2036 2040 CONECT 2036 2035 2037 2045 CONECT 2037 2036 2038 2044 CONECT 2038 2037 2039 2043 CONECT 2039 2038 2040 2042 CONECT 2040 2035 2039 2041 CONECT 2041 2040 CONECT 2042 2039 CONECT 2043 2038 CONECT 2044 2037 CONECT 2045 2036 CONECT 2046 2034 CONECT 2047 2034 CONECT 2048 2011 CONECT 2049 2008 CONECT 2050 2007 CONECT 2051 2007 CONECT 2052 1981 CONECT 2053 1980 CONECT 2054 1976 CONECT 2055 1976 MASTER 0 0 0 0 0 0 0 0 2053 2 86 16 END
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RCSB PDB
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RCSB PDB
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RCSB PDB
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RCSB PDB
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RCSB PDB
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3o9b
RCSB PDB
PDBbind
K2A
Entry Information
PDB ID
6oxp
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HIV-1 Protease NL4-3 WT
Ligand Name
K2A
EC.Number
E.C.-.-.-.-
Resolution
1.97(Å)
Affinity (Kd/Ki/IC50)
Ki=0.010nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 8062-8079
Ligand Properties
Formula
C
2
9
H
4
0
N
2
O
8
S
Molecular Weight
576.701
Exact Mass
576.251
No. of atoms
80
No. of bonds
83
Polar Surface Area
143.01
LOGP Value
3.09 (
Computed with XLOGP3
)
4.15 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
Canonical SMILES
CC[C@@H](CN(S(=O)(=O)c1ccc(cc1)CO)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)O)C
InChI String
InChI=1S/C29H40N2O8S/c1-3-20(2)16-31(40(35,36)23-11-9-22(18-32)10-12-23)17-26(33)25(15-21-7-5-4-6-8-21)30-29(34)39-27-19-38-28-24(27)13-14-37-28/h4-12,20,24-28,32-33H,3,13-19H2,1-2H3,(H,30,34)/t20-,24-,25-,26+,27-,28+/m0/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):
P12497
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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