Browse entries in the PDBbind-CN Database
HEADER 6DH8_COMPLEX COMPND 6DH8_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 VAL 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 VAL 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 A A 60 87 ATOM 1 N PRO A 1 81.115 120.053 -3.277 1.00 26.73 N ATOM 2 CA PRO A 1 80.149 119.266 -4.047 1.00 29.86 C ATOM 3 C PRO A 1 78.721 119.428 -3.537 1.00 21.00 C ATOM 4 O PRO A 1 78.485 120.161 -2.574 1.00 14.59 O ATOM 5 CB PRO A 1 80.639 117.832 -3.851 1.00 29.78 C ATOM 6 CG PRO A 1 81.268 117.840 -2.501 1.00 28.47 C ATOM 7 CD PRO A 1 81.836 119.226 -2.293 1.00 31.76 C ATOM 8 HN2 PRO A 1 80.609 120.810 -2.774 1.00 0.00 H ATOM 9 HN1 PRO A 1 81.804 120.475 -3.932 1.00 0.00 H ATOM 10 N GLN A 2 77.783 118.755 -4.196 1.00 18.99 N ATOM 11 CA GLN A 2 76.382 118.728 -3.794 1.00 13.45 C ATOM 12 C GLN A 2 76.022 117.287 -3.463 1.00 16.89 C ATOM 13 O GLN A 2 76.154 116.404 -4.316 1.00 16.09 O ATOM 14 CB GLN A 2 75.484 119.272 -4.904 1.00 23.31 C ATOM 15 CG GLN A 2 74.004 119.240 -4.580 1.00 26.05 C ATOM 16 CD GLN A 2 73.177 119.981 -5.611 1.00 35.80 C ATOM 17 OE1 GLN A 2 72.527 119.371 -6.465 1.00 28.55 O ATOM 18 NE2 GLN A 2 73.202 121.306 -5.542 1.00 32.19 N ATOM 19 HE22 GLN A 2 73.764 121.778 -4.805 1.00 0.00 H ATOM 20 HE21 GLN A 2 72.660 121.873 -6.225 1.00 0.00 H ATOM 21 H GLN A 2 78.063 118.220 -5.043 1.00 0.00 H ATOM 22 N ILE A 3 75.580 117.050 -2.229 1.00 6.90 N ATOM 23 CA ILE A 3 75.362 115.703 -1.715 1.00 12.30 C ATOM 24 C ILE A 3 73.875 115.505 -1.451 1.00 10.89 C ATOM 25 O ILE A 3 73.253 116.291 -0.723 1.00 7.96 O ATOM 26 CB ILE A 3 76.187 115.461 -0.441 1.00 11.73 C ATOM 27 CG1 ILE A 3 77.678 115.632 -0.742 1.00 9.96 C ATOM 28 CG2 ILE A 3 75.914 114.069 0.119 1.00 11.96 C ATOM 29 CD1 ILE A 3 78.547 115.728 0.503 1.00 17.73 C ATOM 30 H ILE A 3 75.382 117.859 -1.606 1.00 0.00 H ATOM 31 N THR A 4 73.311 114.453 -2.042 1.00 7.48 N ATOM 32 CA THR A 4 71.946 114.040 -1.761 1.00 8.52 C ATOM 33 C THR A 4 71.921 113.157 -0.516 1.00 7.66 C ATOM 34 O THR A 4 72.960 112.774 0.029 1.00 8.58 O ATOM 35 CB THR A 4 71.342 113.304 -2.960 1.00 11.47 C ATOM 36 OG1 THR A 4 72.179 112.204 -3.332 1.00 10.37 O ATOM 37 CG2 THR A 4 71.182 114.245 -4.150 1.00 14.35 C ATOM 38 HG1 THR A 4 72.256 111.577 -2.570 1.00 0.00 H ATOM 39 H THR A 4 73.868 113.907 -2.730 1.00 0.00 H ATOM 40 N LEU A 5 70.712 112.834 -0.056 1.00 7.12 N ATOM 41 CA LEU A 5 70.535 112.214 1.253 1.00 7.95 C ATOM 42 C LEU A 5 69.822 110.868 1.180 1.00 7.62 C ATOM 43 O LEU A 5 69.278 110.402 2.186 1.00 6.41 O ATOM 44 CB LEU A 5 69.793 113.179 2.178 1.00 7.54 C ATOM 45 CG LEU A 5 70.560 114.491 2.405 1.00 7.07 C ATOM 46 CD1 LEU A 5 69.679 115.537 3.079 1.00 9.95 C ATOM 47 CD2 LEU A 5 71.823 114.263 3.225 1.00 7.21 C ATOM 48 H LEU A 5 69.876 113.028 -0.643 1.00 0.00 H ATOM 49 N TRP A 6 69.840 110.218 0.014 1.00 12.01 N ATOM 50 CA TRP A 6 69.326 108.856 -0.089 1.00 9.01 C ATOM 51 C TRP A 6 70.163 107.880 0.724 1.00 9.49 C ATOM 52 O TRP A 6 69.651 106.858 1.193 1.00 14.32 O ATOM 53 CB TRP A 6 69.297 108.422 -1.556 1.00 17.75 C ATOM 54 CG TRP A 6 68.657 109.426 -2.457 1.00 20.54 C ATOM 55 CD1 TRP A 6 69.287 110.357 -3.235 1.00 22.83 C ATOM 56 CD2 TRP A 6 67.259 109.610 -2.664 1.00 15.68 C ATOM 57 NE1 TRP A 6 68.361 111.106 -3.917 1.00 17.52 N ATOM 58 CE2 TRP A 6 67.107 110.665 -3.583 1.00 25.26 C ATOM 59 CE3 TRP A 6 66.118 108.979 -2.164 1.00 16.72 C ATOM 60 CZ2 TRP A 6 65.862 111.104 -4.013 1.00 13.45 C ATOM 61 CZ3 TRP A 6 64.889 109.413 -2.590 1.00 25.77 C ATOM 62 CH2 TRP A 6 64.767 110.469 -3.506 1.00 25.49 C ATOM 63 HE1 TRP A 6 68.575 111.880 -4.578 1.00 0.00 H ATOM 64 H TRP A 6 70.225 110.688 -0.830 1.00 0.00 H ATOM 65 N LYS A 7 71.449 108.163 0.878 1.00 8.18 N ATOM 66 CA LYS A 7 72.344 107.394 1.723 1.00 7.80 C ATOM 67 C LYS A 7 72.927 108.323 2.773 1.00 8.11 C ATOM 68 O LYS A 7 72.876 109.547 2.637 1.00 7.97 O ATOM 69 CB LYS A 7 73.471 106.748 0.904 1.00 11.48 C ATOM 70 H LYS A 7 71.838 108.980 0.366 1.00 0.00 H ATOM 71 N ARG A 8 73.473 107.738 3.831 1.00 6.10 N ATOM 72 CA ARG A 8 74.126 108.542 4.851 1.00 9.47 C ATOM 73 C ARG A 8 75.231 109.373 4.205 1.00 7.93 C ATOM 74 O ARG A 8 76.035 108.830 3.431 1.00 9.09 O ATOM 75 CB ARG A 8 74.710 107.664 5.955 1.00 9.05 C ATOM 76 CG ARG A 8 73.679 107.016 6.858 1.00 10.92 C ATOM 77 CD ARG A 8 74.334 106.429 8.110 1.00 22.41 C ATOM 78 NE ARG A 8 73.355 105.884 9.049 1.00 34.93 N ATOM 79 CZ ARG A 8 73.569 105.714 10.353 1.00 39.07 C ATOM 80 NH1 ARG A 8 74.730 106.056 10.900 1.00 19.25 N ATOM 81 NH2 ARG A 8 72.612 105.211 11.121 1.00 30.31 N ATOM 82 HE ARG A 8 72.425 105.609 8.672 1.00 0.00 H ATOM 83 HH12 ARG A 8 74.885 105.919 11.919 1.00 0.00 H ATOM 84 HH11 ARG A 8 75.484 106.461 10.309 1.00 0.00 H ATOM 85 HH22 ARG A 8 72.778 105.078 12.139 1.00 0.00 H ATOM 86 HH21 ARG A 8 71.695 104.950 10.705 1.00 0.00 H ATOM 87 H ARG A 8 73.434 106.704 3.931 1.00 0.00 H ATOM 88 N PRO A 9 75.299 110.683 4.468 1.00 10.56 N ATOM 89 CA PRO A 9 76.371 111.512 3.869 1.00 6.83 C ATOM 90 C PRO A 9 77.718 111.286 4.549 1.00 7.78 C ATOM 91 O PRO A 9 78.201 112.088 5.355 1.00 6.10 O ATOM 92 CB PRO A 9 75.845 112.935 4.071 1.00 9.64 C ATOM 93 CG PRO A 9 75.018 112.846 5.300 1.00 9.06 C ATOM 94 CD PRO A 9 74.355 111.499 5.249 1.00 9.46 C ATOM 95 N LEU A 10 78.328 110.153 4.202 1.00 8.26 N ATOM 96 CA LEU A 10 79.624 109.748 4.732 1.00 11.60 C ATOM 97 C LEU A 10 80.725 110.259 3.814 1.00 12.19 C ATOM 98 O LEU A 10 80.629 110.131 2.590 1.00 16.87 O ATOM 99 CB LEU A 10 79.707 108.223 4.849 1.00 14.02 C ATOM 100 CG LEU A 10 78.796 107.564 5.885 1.00 15.64 C ATOM 101 CD1 LEU A 10 78.580 106.095 5.540 1.00 24.20 C ATOM 102 CD2 LEU A 10 79.382 107.703 7.288 1.00 19.06 C ATOM 103 H LEU A 10 77.856 109.527 3.519 1.00 0.00 H ATOM 104 N VAL A 11 81.768 110.838 4.404 1.00 12.26 N ATOM 105 CA VAL A 11 82.879 111.382 3.640 1.00 14.16 C ATOM 106 C VAL A 11 84.177 110.942 4.296 1.00 13.42 C ATOM 107 O VAL A 11 84.215 110.565 5.467 1.00 11.66 O ATOM 108 CB VAL A 11 82.824 112.923 3.537 1.00 12.82 C ATOM 109 CG1 VAL A 11 81.534 113.360 2.863 1.00 17.79 C ATOM 110 CG2 VAL A 11 82.954 113.558 4.919 1.00 12.36 C ATOM 111 H VAL A 11 81.789 110.903 5.442 1.00 0.00 H ATOM 112 N THR A 12 85.249 110.994 3.515 1.00 11.64 N ATOM 113 CA THR A 12 86.575 110.702 4.031 1.00 14.39 C ATOM 114 C THR A 12 87.146 111.951 4.687 1.00 13.42 C ATOM 115 O THR A 12 87.059 113.049 4.131 1.00 11.06 O ATOM 116 CB THR A 12 87.489 110.223 2.902 1.00 22.26 C ATOM 117 OG1 THR A 12 86.942 109.033 2.320 1.00 15.03 O ATOM 118 CG2 THR A 12 88.891 109.927 3.422 1.00 18.78 C ATOM 119 HG1 THR A 12 87.533 108.723 1.589 1.00 0.00 H ATOM 120 H THR A 12 85.137 111.249 2.513 1.00 0.00 H ATOM 121 N ILE A 13 87.713 111.786 5.878 1.00 9.65 N ATOM 122 CA ILE A 13 88.355 112.878 6.589 1.00 11.94 C ATOM 123 C ILE A 13 89.787 112.469 6.888 1.00 13.39 C ATOM 124 O ILE A 13 90.128 111.286 6.912 1.00 13.03 O ATOM 125 CB ILE A 13 87.614 113.256 7.889 1.00 14.87 C ATOM 126 CG1 ILE A 13 87.698 112.115 8.917 1.00 13.51 C ATOM 127 CG2 ILE A 13 86.153 113.602 7.575 1.00 15.92 C ATOM 128 CD1 ILE A 13 87.144 112.461 10.281 1.00 13.36 C ATOM 129 H ILE A 13 87.696 110.843 6.316 1.00 0.00 H ATOM 130 N LYS A 14 90.629 113.470 7.114 1.00 15.48 N ATOM 131 CA LYS A 14 92.011 113.245 7.517 1.00 12.82 C ATOM 132 C LYS A 14 92.280 114.046 8.778 1.00 16.25 C ATOM 133 O LYS A 14 92.154 115.275 8.776 1.00 12.37 O ATOM 134 CB LYS A 14 92.987 113.635 6.405 1.00 20.20 C ATOM 135 CG LYS A 14 94.444 113.563 6.831 1.00 25.23 C ATOM 136 CD LYS A 14 95.378 113.641 5.638 1.00 34.67 C ATOM 137 CE LYS A 14 96.826 113.747 6.079 1.00 37.44 C ATOM 138 NZ LYS A 14 97.746 113.965 4.928 1.00 44.51 N ATOM 139 HZ1 LYS A 14 97.665 113.167 4.266 1.00 0.00 H ATOM 140 HZ2 LYS A 14 97.489 114.848 4.442 1.00 0.00 H ATOM 141 HZ3 LYS A 14 98.724 114.031 5.275 1.00 0.00 H ATOM 142 H LYS A 14 90.291 114.447 7.000 1.00 0.00 H ATOM 143 N ILE A 15 92.649 113.353 9.849 1.00 14.67 N ATOM 144 CA ILE A 15 92.925 113.984 11.134 1.00 18.96 C ATOM 145 C ILE A 15 94.077 113.236 11.785 1.00 16.78 C ATOM 146 O ILE A 15 94.122 112.001 11.764 1.00 20.63 O ATOM 147 CB ILE A 15 91.677 113.998 12.044 1.00 16.64 C ATOM 148 CG1 ILE A 15 91.996 114.691 13.375 1.00 18.08 C ATOM 149 CG2 ILE A 15 91.149 112.578 12.255 1.00 24.66 C ATOM 150 CD1 ILE A 15 90.813 114.833 14.312 1.00 19.30 C ATOM 151 H ILE A 15 92.745 112.321 9.768 1.00 0.00 H ATOM 152 N GLY A 16 95.017 113.988 12.349 1.00 19.10 N ATOM 153 CA GLY A 16 96.196 113.405 12.954 1.00 21.00 C ATOM 154 C GLY A 16 96.924 112.480 12.000 1.00 16.52 C ATOM 155 O GLY A 16 97.520 111.485 12.419 1.00 23.52 O ATOM 156 H GLY A 16 94.903 115.022 12.356 1.00 0.00 H ATOM 157 N GLY A 17 96.871 112.798 10.710 1.00 16.87 N ATOM 158 CA GLY A 17 97.518 111.991 9.699 1.00 21.70 C ATOM 159 C GLY A 17 96.787 110.722 9.315 1.00 22.12 C ATOM 160 O GLY A 17 97.292 109.975 8.471 1.00 17.87 O ATOM 161 H GLY A 17 96.350 113.650 10.420 1.00 0.00 H ATOM 162 N GLN A 18 95.621 110.452 9.899 1.00 18.87 N ATOM 163 CA GLN A 18 94.868 109.230 9.650 1.00 18.71 C ATOM 164 C GLN A 18 93.649 109.526 8.788 1.00 18.47 C ATOM 165 O GLN A 18 92.993 110.557 8.960 1.00 19.85 O ATOM 166 CB GLN A 18 94.401 108.592 10.962 1.00 19.74 C ATOM 167 CG GLN A 18 95.269 107.458 11.478 1.00 34.53 C ATOM 168 CD GLN A 18 94.558 106.640 12.546 1.00 54.34 C ATOM 169 OE1 GLN A 18 94.039 107.186 13.520 1.00 43.12 O ATOM 170 NE2 GLN A 18 94.514 105.327 12.354 1.00 57.46 N ATOM 171 HE22 GLN A 18 94.967 104.909 11.516 1.00 0.00 H ATOM 172 HE21 GLN A 18 94.027 104.717 13.041 1.00 0.00 H ATOM 173 H GLN A 18 95.229 111.148 10.565 1.00 0.00 H ATOM 174 N LEU A 19 93.336 108.609 7.878 1.00 19.99 N ATOM 175 CA LEU A 19 92.111 108.692 7.094 1.00 18.29 C ATOM 176 C LEU A 19 90.988 107.946 7.801 1.00 22.59 C ATOM 177 O LEU A 19 91.175 106.829 8.292 1.00 19.16 O ATOM 178 CB LEU A 19 92.314 108.109 5.695 1.00 17.56 C ATOM 179 CG LEU A 19 93.370 108.774 4.812 1.00 19.70 C ATOM 180 CD1 LEU A 19 93.378 108.118 3.439 1.00 25.13 C ATOM 181 CD2 LEU A 19 93.131 110.272 4.695 1.00 18.65 C ATOM 182 H LEU A 19 93.983 107.810 7.721 1.00 0.00 H ATOM 183 N LYS A 20 89.817 108.570 7.853 1.00 18.07 N ATOM 184 CA LYS A 20 88.657 107.943 8.468 1.00 14.74 C ATOM 185 C LYS A 20 87.412 108.373 7.709 1.00 14.34 C ATOM 186 O LYS A 20 87.449 109.288 6.882 1.00 18.07 O ATOM 187 CB LYS A 20 88.557 108.303 9.952 1.00 15.46 C ATOM 188 CG LYS A 20 89.763 107.856 10.766 1.00 20.47 C ATOM 189 CD LYS A 20 89.578 108.132 12.239 1.00 32.76 C ATOM 190 CE LYS A 20 90.788 107.679 13.042 1.00 39.09 C ATOM 191 NZ LYS A 20 90.528 106.438 13.822 1.00 52.55 N ATOM 192 HZ1 LYS A 20 89.747 106.606 14.488 1.00 0.00 H ATOM 193 HZ2 LYS A 20 90.270 105.669 13.171 1.00 0.00 H ATOM 194 HZ3 LYS A 20 91.385 106.175 14.349 1.00 0.00 H ATOM 195 H LYS A 20 89.727 109.523 7.447 1.00 0.00 H ATOM 196 N GLU A 21 86.310 107.684 7.985 1.00 12.80 N ATOM 197 CA GLU A 21 85.004 108.043 7.453 1.00 18.23 C ATOM 198 C GLU A 21 84.194 108.726 8.543 1.00 15.11 C ATOM 199 O GLU A 21 84.198 108.290 9.699 1.00 10.83 O ATOM 200 CB GLU A 21 84.246 106.815 6.940 1.00 15.30 C ATOM 201 CG GLU A 21 84.785 106.214 5.648 1.00 32.12 C ATOM 202 CD GLU A 21 84.738 107.183 4.480 1.00 31.20 C ATOM 203 OE1 GLU A 21 85.811 107.673 4.069 1.00 40.58 O ATOM 204 OE2 GLU A 21 83.629 107.457 3.974 1.00 39.52 O ATOM 205 H GLU A 21 86.384 106.854 8.607 1.00 0.00 H ATOM 206 N ALA A 22 83.509 109.803 8.172 1.00 9.38 N ATOM 207 CA ALA A 22 82.704 110.565 9.113 1.00 10.40 C ATOM 208 C ALA A 22 81.399 110.981 8.450 1.00 8.75 C ATOM 209 O ALA A 22 81.334 111.177 7.234 1.00 11.49 O ATOM 210 CB ALA A 22 83.446 111.805 9.618 1.00 7.31 C ATOM 211 H ALA A 22 83.550 110.110 7.179 1.00 0.00 H ATOM 212 N LEU A 23 80.369 111.133 9.276 1.00 6.37 N ATOM 213 CA LEU A 23 79.030 111.487 8.832 1.00 6.55 C ATOM 214 C LEU A 23 78.822 112.989 8.956 1.00 6.90 C ATOM 215 O LEU A 23 79.009 113.557 10.037 1.00 7.64 O ATOM 216 CB LEU A 23 77.991 110.746 9.674 1.00 10.25 C ATOM 217 CG LEU A 23 76.516 111.012 9.387 1.00 13.25 C ATOM 218 CD1 LEU A 23 76.089 110.290 8.138 1.00 12.27 C ATOM 219 CD2 LEU A 23 75.675 110.578 10.577 1.00 19.33 C ATOM 220 H LEU A 23 80.529 110.991 10.294 1.00 0.00 H ATOM 221 N LEU A 24 78.421 113.629 7.860 1.00 8.27 N ATOM 222 CA LEU A 24 78.066 115.044 7.906 1.00 5.29 C ATOM 223 C LEU A 24 76.717 115.178 8.602 1.00 9.08 C ATOM 224 O LEU A 24 75.684 114.752 8.075 1.00 7.16 O ATOM 225 CB LEU A 24 78.038 115.639 6.502 1.00 6.89 C ATOM 226 CG LEU A 24 79.337 115.504 5.700 1.00 7.61 C ATOM 227 CD1 LEU A 24 79.177 116.140 4.321 1.00 8.60 C ATOM 228 CD2 LEU A 24 80.527 116.116 6.436 1.00 8.83 C ATOM 229 H LEU A 24 78.360 113.114 6.959 1.00 0.00 H ATOM 230 N ASP A 25 76.728 115.757 9.798 1.00 5.33 N ATOM 231 CA ASP A 25 75.602 115.692 10.728 1.00 3.22 C ATOM 232 C ASP A 25 75.170 117.115 11.085 1.00 6.13 C ATOM 233 O ASP A 25 75.665 117.698 12.050 1.00 5.21 O ATOM 234 CB ASP A 25 76.003 114.894 11.970 1.00 7.24 C ATOM 235 CG ASP A 25 74.842 114.660 12.916 1.00 9.62 C ATOM 236 OD1 ASP A 25 73.746 115.202 12.663 1.00 8.36 O ATOM 237 OD2 ASP A 25 75.030 113.923 13.906 1.00 10.23 O ATOM 238 H ASP A 25 77.578 116.282 10.086 1.00 0.00 H ATOM 239 N THR A 26 74.230 117.668 10.308 1.00 7.80 N ATOM 240 CA THR A 26 73.747 119.020 10.573 1.00 5.48 C ATOM 241 C THR A 26 73.001 119.121 11.900 1.00 7.68 C ATOM 242 O THR A 26 72.887 120.223 12.449 1.00 6.95 O ATOM 243 CB THR A 26 72.850 119.506 9.424 1.00 4.16 C ATOM 244 OG1 THR A 26 71.706 118.653 9.281 1.00 7.64 O ATOM 245 CG2 THR A 26 73.621 119.542 8.111 1.00 6.78 C ATOM 246 HG1 THR A 26 71.183 118.660 10.122 1.00 0.00 H ATOM 247 H THR A 26 73.840 117.129 9.508 1.00 0.00 H ATOM 248 N GLY A 27 72.503 118.006 12.434 1.00 7.87 N ATOM 249 CA GLY A 27 71.871 117.992 13.736 1.00 8.44 C ATOM 250 C GLY A 27 72.820 117.911 14.909 1.00 9.39 C ATOM 251 O GLY A 27 72.374 117.781 16.053 1.00 8.62 O ATOM 252 H GLY A 27 72.571 117.117 11.898 1.00 0.00 H ATOM 253 N ALA A 28 74.125 117.989 14.662 1.00 8.39 N ATOM 254 CA ALA A 28 75.135 117.908 15.707 1.00 9.80 C ATOM 255 C ALA A 28 75.775 119.278 15.877 1.00 6.38 C ATOM 256 O ALA A 28 76.305 119.841 14.914 1.00 6.23 O ATOM 257 CB ALA A 28 76.194 116.861 15.363 1.00 10.72 C ATOM 258 H ALA A 28 74.438 118.113 13.678 1.00 0.00 H ATOM 259 N ASP A 29 75.724 119.811 17.101 1.00 8.66 N ATOM 260 CA ASP A 29 76.440 121.048 17.398 1.00 9.91 C ATOM 261 C ASP A 29 77.943 120.863 17.239 1.00 10.03 C ATOM 262 O ASP A 29 78.641 121.758 16.745 1.00 12.69 O ATOM 263 CB ASP A 29 76.137 121.519 18.824 1.00 13.07 C ATOM 264 CG ASP A 29 74.684 121.885 19.034 1.00 15.32 C ATOM 265 OD1 ASP A 29 73.937 122.012 18.043 1.00 11.30 O ATOM 266 OD2 ASP A 29 74.291 122.045 20.210 1.00 12.55 O ATOM 267 H ASP A 29 75.171 119.342 17.847 1.00 0.00 H ATOM 268 N ASP A 30 78.456 119.710 17.652 1.00 7.07 N ATOM 269 CA ASP A 30 79.883 119.489 17.782 1.00 13.33 C ATOM 270 C ASP A 30 80.304 118.274 16.969 1.00 11.78 C ATOM 271 O ASP A 30 79.482 117.475 16.514 1.00 11.51 O ATOM 272 CB ASP A 30 80.281 119.296 19.252 1.00 17.12 C ATOM 273 CG ASP A 30 79.661 120.336 20.166 1.00 12.64 C ATOM 274 OD1 ASP A 30 78.987 119.950 21.143 1.00 26.18 O ATOM 275 OD2 ASP A 30 79.828 121.538 19.891 1.00 18.72 O ATOM 276 H ASP A 30 77.807 118.933 17.892 1.00 0.00 H ATOM 277 N THR A 31 81.616 118.157 16.802 1.00 6.57 N ATOM 278 CA THR A 31 82.241 117.056 16.089 1.00 6.38 C ATOM 279 C THR A 31 82.749 116.033 17.098 1.00 11.23 C ATOM 280 O THR A 31 83.489 116.383 18.024 1.00 8.82 O ATOM 281 CB THR A 31 83.392 117.569 15.225 1.00 8.24 C ATOM 282 OG1 THR A 31 82.877 118.448 14.215 1.00 11.44 O ATOM 283 CG2 THR A 31 84.143 116.417 14.565 1.00 7.24 C ATOM 284 HG1 THR A 31 82.421 119.213 14.647 1.00 0.00 H ATOM 285 H THR A 31 82.230 118.894 17.204 1.00 0.00 H ATOM 286 N VAL A 32 82.351 114.775 16.921 1.00 10.15 N ATOM 287 CA VAL A 32 82.694 113.709 17.857 1.00 9.11 C ATOM 288 C VAL A 32 83.218 112.527 17.055 1.00 8.69 C ATOM 289 O VAL A 32 82.509 111.999 16.190 1.00 9.34 O ATOM 290 CB VAL A 32 81.494 113.277 18.718 1.00 10.36 C ATOM 291 CG1 VAL A 32 81.973 112.418 19.885 1.00 10.14 C ATOM 292 CG2 VAL A 32 80.718 114.485 19.221 1.00 10.34 C ATOM 293 H VAL A 32 81.775 114.544 16.086 1.00 0.00 H ATOM 294 N LEU A 33 84.449 112.111 17.343 1.00 8.57 N ATOM 295 CA LEU A 33 85.081 111.002 16.647 1.00 8.57 C ATOM 296 C LEU A 33 85.353 109.853 17.608 1.00 12.68 C ATOM 297 O LEU A 33 85.427 110.030 18.827 1.00 10.71 O ATOM 298 CB LEU A 33 86.398 111.431 15.987 1.00 10.07 C ATOM 299 CG LEU A 33 86.333 112.612 15.017 1.00 14.34 C ATOM 300 CD1 LEU A 33 87.710 112.842 14.406 1.00 19.93 C ATOM 301 CD2 LEU A 33 85.290 112.377 13.934 1.00 10.75 C ATOM 302 H LEU A 33 84.979 112.598 18.094 1.00 0.00 H ATOM 303 N GLU A 34 85.515 108.667 17.029 1.00 11.81 N ATOM 304 CA GLU A 34 85.838 107.481 17.803 1.00 14.97 C ATOM 305 C GLU A 34 87.201 107.634 18.470 1.00 19.42 C ATOM 306 O GLU A 34 88.021 108.480 18.096 1.00 11.29 O ATOM 307 CB GLU A 34 85.824 106.239 16.908 1.00 18.86 C ATOM 308 H GLU A 34 85.408 108.587 15.998 1.00 0.00 H ATOM 309 N GLU A 35 87.433 106.794 19.476 1.00 16.37 N ATOM 310 CA GLU A 35 88.663 106.853 20.254 1.00 22.88 C ATOM 311 C GLU A 35 89.885 106.847 19.344 1.00 17.23 C ATOM 312 O GLU A 35 90.021 105.992 18.466 1.00 23.57 O ATOM 313 CB GLU A 35 88.714 105.669 21.222 1.00 28.02 C ATOM 314 CG GLU A 35 89.968 105.606 22.074 1.00 43.78 C ATOM 315 CD GLU A 35 90.208 106.886 22.849 1.00 43.74 C ATOM 316 OE1 GLU A 35 91.224 107.562 22.583 1.00 51.48 O ATOM 317 OE2 GLU A 35 89.372 107.224 23.713 1.00 48.80 O ATOM 318 H GLU A 35 86.718 106.077 19.713 1.00 0.00 H ATOM 319 N MET A 36 90.772 107.815 19.556 1.00 22.68 N ATOM 320 CA MET A 36 92.029 107.876 18.823 1.00 27.94 C ATOM 321 C MET A 36 92.985 108.778 19.587 1.00 37.10 C ATOM 322 O MET A 36 92.568 109.649 20.354 1.00 26.64 O ATOM 323 CB MET A 36 91.828 108.383 17.387 1.00 28.88 C ATOM 324 CG MET A 36 91.595 109.884 17.269 1.00 28.21 C ATOM 325 SD MET A 36 91.214 110.403 15.584 1.00 28.95 S ATOM 326 CE MET A 36 92.766 110.043 14.754 1.00 29.68 C ATOM 327 H MET A 36 90.563 108.548 20.264 1.00 0.00 H ATOM 328 N ASN A 37 94.277 108.553 19.369 1.00 38.93 N ATOM 329 CA ASN A 37 95.320 109.339 20.013 1.00 38.83 C ATOM 330 C ASN A 37 95.658 110.533 19.127 1.00 37.47 C ATOM 331 O ASN A 37 96.059 110.361 17.972 1.00 37.94 O ATOM 332 CB ASN A 37 96.559 108.481 20.274 1.00 51.38 C ATOM 333 CG ASN A 37 96.336 107.458 21.376 1.00 56.03 C ATOM 334 OD1 ASN A 37 95.549 107.684 22.295 1.00 58.03 O ATOM 335 ND2 ASN A 37 97.028 106.329 21.288 1.00 60.21 N ATOM 336 HD22 ASN A 37 97.682 106.181 20.493 1.00 0.00 H ATOM 337 HD21 ASN A 37 96.916 105.593 22.014 1.00 0.00 H ATOM 338 H ASN A 37 94.552 107.791 18.717 1.00 0.00 H ATOM 339 N LEU A 38 95.476 111.736 19.662 1.00 26.44 N ATOM 340 CA LEU A 38 95.806 112.953 18.944 1.00 26.88 C ATOM 341 C LEU A 38 96.847 113.754 19.718 1.00 27.04 C ATOM 342 O LEU A 38 96.874 113.715 20.951 1.00 25.65 O ATOM 343 CB LEU A 38 94.565 113.827 18.716 1.00 28.75 C ATOM 344 CG LEU A 38 93.477 113.263 17.796 1.00 25.57 C ATOM 345 CD1 LEU A 38 92.285 114.207 17.744 1.00 26.91 C ATOM 346 CD2 LEU A 38 94.014 113.014 16.395 1.00 31.48 C ATOM 347 H LEU A 38 95.086 111.807 20.623 1.00 0.00 H ATOM 348 N PRO A 39 97.716 114.485 19.028 1.00 34.67 N ATOM 349 CA PRO A 39 98.757 115.238 19.733 1.00 45.53 C ATOM 350 C PRO A 39 98.193 116.452 20.453 1.00 30.90 C ATOM 351 O PRO A 39 97.206 117.058 20.030 1.00 34.56 O ATOM 352 CB PRO A 39 99.714 115.651 18.611 1.00 45.04 C ATOM 353 CG PRO A 39 98.858 115.707 17.399 1.00 39.83 C ATOM 354 CD PRO A 39 97.825 114.629 17.567 1.00 33.42 C ATOM 355 N GLY A 40 98.833 116.797 21.563 1.00 40.46 N ATOM 356 CA GLY A 40 98.456 117.953 22.347 1.00 40.81 C ATOM 357 C GLY A 40 97.693 117.571 23.602 1.00 33.97 C ATOM 358 O GLY A 40 97.320 116.416 23.826 1.00 39.46 O ATOM 359 H GLY A 40 99.634 116.215 21.881 1.00 0.00 H ATOM 360 N ARG A 41 97.468 118.579 24.436 1.00 43.86 N ATOM 361 CA ARG A 41 96.713 118.390 25.663 1.00 47.78 C ATOM 362 C ARG A 41 95.221 118.348 25.360 1.00 37.82 C ATOM 363 O ARG A 41 94.734 118.990 24.426 1.00 31.89 O ATOM 364 CB ARG A 41 97.016 119.511 26.658 1.00 45.74 C ATOM 365 H ARG A 41 97.840 119.523 24.207 1.00 0.00 H ATOM 366 N TRP A 42 94.497 117.572 26.160 1.00 37.55 N ATOM 367 CA TRP A 42 93.055 117.456 26.031 1.00 34.30 C ATOM 368 C TRP A 42 92.410 117.665 27.390 1.00 29.82 C ATOM 369 O TRP A 42 93.012 117.385 28.430 1.00 33.61 O ATOM 370 CB TRP A 42 92.646 116.092 25.461 1.00 26.02 C ATOM 371 CG TRP A 42 93.143 114.926 26.261 1.00 39.32 C ATOM 372 CD1 TRP A 42 94.237 114.154 25.993 1.00 33.62 C ATOM 373 CD2 TRP A 42 92.564 114.398 27.461 1.00 36.77 C ATOM 374 NE1 TRP A 42 94.371 113.176 26.948 1.00 38.20 N ATOM 375 CE2 TRP A 42 93.358 113.304 27.861 1.00 40.98 C ATOM 376 CE3 TRP A 42 91.450 114.743 28.233 1.00 30.49 C ATOM 377 CZ2 TRP A 42 93.074 112.553 29.000 1.00 35.46 C ATOM 378 CZ3 TRP A 42 91.169 113.993 29.365 1.00 43.63 C ATOM 379 CH2 TRP A 42 91.979 112.912 29.737 1.00 40.26 C ATOM 380 HE1 TRP A 42 95.120 112.455 26.974 1.00 0.00 H ATOM 381 H TRP A 42 94.980 117.029 26.904 1.00 0.00 H ATOM 382 N LYS A 43 91.179 118.167 27.367 1.00 22.97 N ATOM 383 CA LYS A 43 90.409 118.364 28.577 1.00 21.75 C ATOM 384 C LYS A 43 89.259 117.364 28.631 1.00 23.88 C ATOM 385 O LYS A 43 88.624 117.104 27.601 1.00 15.58 O ATOM 386 CB LYS A 43 89.847 119.789 28.641 1.00 26.23 C ATOM 387 H LYS A 43 90.757 118.426 26.453 1.00 0.00 H ATOM 388 N PRO A 44 88.972 116.773 29.792 1.00 16.88 N ATOM 389 CA PRO A 44 87.796 115.899 29.889 1.00 18.51 C ATOM 390 C PRO A 44 86.519 116.718 29.799 1.00 20.12 C ATOM 391 O PRO A 44 86.393 117.772 30.426 1.00 16.38 O ATOM 392 CB PRO A 44 87.952 115.230 31.259 1.00 20.00 C ATOM 393 CG PRO A 44 88.805 116.152 32.038 1.00 24.31 C ATOM 394 CD PRO A 44 89.720 116.829 31.060 1.00 20.84 C ATOM 395 N LYS A 45 85.581 116.236 28.991 1.00 15.11 N ATOM 396 CA LYS A 45 84.298 116.888 28.812 1.00 15.62 C ATOM 397 C LYS A 45 83.229 115.816 28.687 1.00 12.22 C ATOM 398 O LYS A 45 83.522 114.623 28.580 1.00 17.85 O ATOM 399 CB LYS A 45 84.292 117.795 27.576 1.00 20.20 C ATOM 400 CG LYS A 45 85.229 118.992 27.665 1.00 26.91 C ATOM 401 CD LYS A 45 84.643 120.122 28.501 1.00 27.55 C ATOM 402 CE LYS A 45 85.552 121.346 28.490 1.00 37.49 C ATOM 403 NZ LYS A 45 85.111 122.406 29.440 1.00 43.30 N ATOM 404 HZ1 LYS A 45 84.153 122.721 29.186 1.00 0.00 H ATOM 405 HZ2 LYS A 45 85.107 122.023 30.407 1.00 0.00 H ATOM 406 HZ3 LYS A 45 85.767 123.211 29.388 1.00 0.00 H ATOM 407 H LYS A 45 85.774 115.358 28.467 1.00 0.00 H ATOM 408 N MET A 46 81.978 116.253 28.700 1.00 15.45 N ATOM 409 CA MET A 46 80.861 115.352 28.488 1.00 13.31 C ATOM 410 C MET A 46 79.882 116.020 27.539 1.00 16.28 C ATOM 411 O MET A 46 79.651 117.229 27.623 1.00 20.36 O ATOM 412 CB MET A 46 80.187 114.988 29.814 1.00 21.02 C ATOM 413 CG MET A 46 81.183 114.396 30.812 1.00 19.87 C ATOM 414 SD MET A 46 80.566 113.104 31.889 1.00 48.11 S ATOM 415 CE MET A 46 79.993 111.882 30.721 1.00 28.47 C ATOM 416 H MET A 46 81.793 117.263 28.866 1.00 0.00 H ATOM 417 N ILE A 47 79.335 115.229 26.622 1.00 9.08 N ATOM 418 CA ILE A 47 78.371 115.714 25.644 1.00 9.32 C ATOM 419 C ILE A 47 77.174 114.777 25.655 1.00 11.74 C ATOM 420 O ILE A 47 77.307 113.569 25.879 1.00 13.03 O ATOM 421 CB ILE A 47 78.964 115.825 24.223 1.00 20.07 C ATOM 422 CG1 ILE A 47 79.643 114.517 23.795 1.00 15.38 C ATOM 423 CG2 ILE A 47 79.920 116.999 24.142 1.00 33.46 C ATOM 424 CD1 ILE A 47 78.739 113.575 23.052 1.00 28.48 C ATOM 425 H ILE A 47 79.606 114.225 26.602 1.00 0.00 H ATOM 426 N GLY A 48 75.994 115.347 25.410 1.00 10.93 N ATOM 427 CA GLY A 48 74.762 114.611 25.543 1.00 12.47 C ATOM 428 C GLY A 48 73.859 114.787 24.339 1.00 14.88 C ATOM 429 O GLY A 48 73.955 115.753 23.579 1.00 15.06 O ATOM 430 H GLY A 48 75.962 116.344 25.117 1.00 0.00 H ATOM 431 N GLY A 49 72.978 113.809 24.181 1.00 9.18 N ATOM 432 CA GLY A 49 71.962 113.811 23.150 1.00 18.15 C ATOM 433 C GLY A 49 70.924 112.750 23.446 1.00 10.48 C ATOM 434 O GLY A 49 70.624 112.486 24.616 1.00 7.99 O ATOM 435 H GLY A 49 73.019 112.999 24.831 1.00 0.00 H ATOM 436 N VAL A 50 70.364 112.135 22.404 1.00 12.20 N ATOM 437 CA VAL A 50 69.440 111.030 22.607 1.00 8.49 C ATOM 438 C VAL A 50 70.140 109.934 23.394 1.00 11.28 C ATOM 439 O VAL A 50 71.242 109.500 23.039 1.00 13.12 O ATOM 440 CB VAL A 50 68.927 110.519 21.254 1.00 10.94 C ATOM 441 CG1 VAL A 50 68.180 109.195 21.410 1.00 13.73 C ATOM 442 CG2 VAL A 50 68.047 111.580 20.606 1.00 11.20 C ATOM 443 H VAL A 50 70.590 112.448 21.438 1.00 0.00 H ATOM 444 N GLY A 51 69.498 109.480 24.473 1.00 11.79 N ATOM 445 CA GLY A 51 70.010 108.426 25.315 1.00 11.98 C ATOM 446 C GLY A 51 70.718 108.913 26.564 1.00 10.20 C ATOM 447 O GLY A 51 70.744 108.196 27.570 1.00 11.29 O ATOM 448 H GLY A 51 68.583 109.908 24.719 1.00 0.00 H ATOM 449 N GLY A 52 71.285 110.114 26.526 1.00 10.76 N ATOM 450 CA GLY A 52 72.046 110.624 27.647 1.00 11.65 C ATOM 451 C GLY A 52 73.399 111.149 27.221 1.00 9.59 C ATOM 452 O GLY A 52 73.565 111.589 26.080 1.00 10.73 O ATOM 453 H GLY A 52 71.180 110.700 25.673 1.00 0.00 H ATOM 454 N PHE A 53 74.376 111.092 28.119 1.00 7.52 N ATOM 455 CA PHE A 53 75.682 111.688 27.893 1.00 8.72 C ATOM 456 C PHE A 53 76.753 110.621 27.720 1.00 8.79 C ATOM 457 O PHE A 53 76.575 109.459 28.093 1.00 10.64 O ATOM 458 CB PHE A 53 76.062 112.612 29.056 1.00 12.00 C ATOM 459 CG PHE A 53 75.351 113.933 29.033 1.00 16.44 C ATOM 460 CD1 PHE A 53 73.995 114.010 29.301 1.00 15.20 C ATOM 461 CD2 PHE A 53 76.037 115.098 28.736 1.00 15.16 C ATOM 462 CE1 PHE A 53 73.338 115.224 29.272 1.00 14.48 C ATOM 463 CE2 PHE A 53 75.383 116.316 28.710 1.00 16.12 C ATOM 464 CZ PHE A 53 74.036 116.378 28.979 1.00 15.79 C ATOM 465 H PHE A 53 74.199 110.602 29.019 1.00 0.00 H ATOM 466 N ILE A 54 77.881 111.043 27.147 1.00 10.08 N ATOM 467 CA ILE A 54 79.083 110.227 27.094 1.00 10.20 C ATOM 468 C ILE A 54 80.273 111.101 27.458 1.00 12.45 C ATOM 469 O ILE A 54 80.257 112.320 27.261 1.00 11.83 O ATOM 470 CB ILE A 54 79.288 109.564 25.711 1.00 14.87 C ATOM 471 CG1 ILE A 54 79.424 110.615 24.603 1.00 13.03 C ATOM 472 CG2 ILE A 54 78.130 108.620 25.412 1.00 16.59 C ATOM 473 CD1 ILE A 54 79.883 110.028 23.267 1.00 16.43 C ATOM 474 H ILE A 54 77.901 111.992 26.722 1.00 0.00 H ATOM 475 N LYS A 55 81.305 110.465 28.005 1.00 11.01 N ATOM 476 CA LYS A 55 82.545 111.148 28.346 1.00 11.07 C ATOM 477 C LYS A 55 83.446 111.206 27.121 1.00 8.47 C ATOM 478 O LYS A 55 83.635 110.198 26.434 1.00 13.79 O ATOM 479 CB LYS A 55 83.255 110.421 29.491 1.00 10.07 C ATOM 480 H LYS A 55 81.224 109.446 28.196 1.00 0.00 H ATOM 481 N VAL A 56 84.002 112.387 26.848 1.00 10.98 N ATOM 482 CA VAL A 56 84.838 112.600 25.676 1.00 10.86 C ATOM 483 C VAL A 56 86.085 113.380 26.067 1.00 15.14 C ATOM 484 O VAL A 56 86.130 114.068 27.089 1.00 14.51 O ATOM 485 CB VAL A 56 84.086 113.346 24.554 1.00 13.39 C ATOM 486 CG1 VAL A 56 82.942 112.493 24.027 1.00 12.66 C ATOM 487 CG2 VAL A 56 83.578 114.689 25.056 1.00 13.89 C ATOM 488 H VAL A 56 83.832 113.183 27.495 1.00 0.00 H ATOM 489 N ARG A 57 87.101 113.267 25.219 1.00 15.20 N ATOM 490 CA ARG A 57 88.324 114.049 25.328 1.00 15.47 C ATOM 491 C ARG A 57 88.257 115.186 24.317 1.00 16.22 C ATOM 492 O ARG A 57 88.103 114.943 23.117 1.00 13.43 O ATOM 493 CB ARG A 57 89.544 113.160 25.084 1.00 19.37 C ATOM 494 CG ARG A 57 89.897 112.293 26.285 1.00 26.32 C ATOM 495 CD ARG A 57 90.650 111.016 25.941 1.00 40.16 C ATOM 496 NE ARG A 57 91.599 111.168 24.838 1.00 48.96 N ATOM 497 CZ ARG A 57 92.725 110.466 24.705 1.00 61.51 C ATOM 498 NH1 ARG A 57 93.509 110.671 23.654 1.00 47.90 N ATOM 499 NH2 ARG A 57 93.084 109.573 25.623 1.00 46.83 N ATOM 500 HE ARG A 57 91.380 111.873 24.106 1.00 0.00 H ATOM 501 HH12 ARG A 57 94.388 110.126 23.547 1.00 0.00 H ATOM 502 HH11 ARG A 57 93.244 111.377 22.938 1.00 0.00 H ATOM 503 HH22 ARG A 57 93.965 109.033 25.506 1.00 0.00 H ATOM 504 HH21 ARG A 57 92.484 109.415 26.458 1.00 0.00 H ATOM 505 H ARG A 57 87.019 112.585 24.438 1.00 0.00 H ATOM 506 N GLN A 58 88.365 116.421 24.798 1.00 14.15 N ATOM 507 CA GLN A 58 88.239 117.592 23.940 1.00 14.23 C ATOM 508 C GLN A 58 89.619 118.058 23.492 1.00 21.42 C ATOM 509 O GLN A 58 90.470 118.393 24.324 1.00 17.14 O ATOM 510 CB GLN A 58 87.506 118.719 24.664 1.00 17.49 C ATOM 511 CG GLN A 58 87.403 120.006 23.849 1.00 17.75 C ATOM 512 CD GLN A 58 86.570 121.078 24.534 1.00 27.20 C ATOM 513 OE1 GLN A 58 85.501 120.803 25.068 1.00 30.20 O ATOM 514 NE2 GLN A 58 87.060 122.308 24.515 1.00 30.42 N ATOM 515 HE22 GLN A 58 87.971 122.498 24.051 1.00 0.00 H ATOM 516 HE21 GLN A 58 86.534 123.084 24.964 1.00 0.00 H ATOM 517 H GLN A 58 88.544 116.555 25.814 1.00 0.00 H ATOM 518 N TYR A 59 89.830 118.083 22.179 1.00 15.46 N ATOM 519 CA TYR A 59 91.037 118.625 21.573 1.00 16.15 C ATOM 520 C TYR A 59 90.684 119.927 20.870 1.00 19.85 C ATOM 521 O TYR A 59 89.750 119.967 20.064 1.00 14.10 O ATOM 522 CB TYR A 59 91.643 117.639 20.574 1.00 17.74 C ATOM 523 CG TYR A 59 92.217 116.392 21.199 1.00 22.24 C ATOM 524 CD1 TYR A 59 91.425 115.272 21.410 1.00 21.90 C ATOM 525 CD2 TYR A 59 93.554 116.329 21.565 1.00 22.40 C ATOM 526 CE1 TYR A 59 91.944 114.128 21.975 1.00 21.81 C ATOM 527 CE2 TYR A 59 94.084 115.188 22.131 1.00 32.14 C ATOM 528 CZ TYR A 59 93.274 114.090 22.334 1.00 28.00 C ATOM 529 OH TYR A 59 93.795 112.949 22.898 1.00 40.59 O ATOM 530 HH TYR A 59 93.084 112.264 22.971 1.00 0.00 H ATOM 531 H TYR A 59 89.095 117.695 21.554 1.00 0.00 H ATOM 532 N ASP A 60 91.429 120.982 21.170 1.00 18.97 N ATOM 533 CA ASP A 60 91.161 122.298 20.613 1.00 17.57 C ATOM 534 C ASP A 60 92.086 122.587 19.436 1.00 13.30 C ATOM 535 O ASP A 60 93.230 122.129 19.392 1.00 16.51 O ATOM 536 CB ASP A 60 91.331 123.384 21.677 1.00 18.53 C ATOM 537 CG ASP A 60 90.269 123.317 22.758 1.00 27.35 C ATOM 538 OD1 ASP A 60 89.125 122.921 22.454 1.00 25.88 O ATOM 539 OD2 ASP A 60 90.579 123.671 23.915 1.00 40.09 O ATOM 540 H ASP A 60 92.229 120.865 21.824 1.00 0.00 H ATOM 541 N GLN A 61 91.569 123.358 18.480 1.00 10.49 N ATOM 542 CA GLN A 61 92.358 123.863 17.357 1.00 16.74 C ATOM 543 C GLN A 61 93.107 122.731 16.650 1.00 15.33 C ATOM 544 O GLN A 61 94.318 122.787 16.432 1.00 15.61 O ATOM 545 CB GLN A 61 93.323 124.955 17.827 1.00 25.21 C ATOM 546 CG GLN A 61 92.912 126.350 17.416 1.00 34.51 C ATOM 547 CD GLN A 61 93.859 127.407 17.955 1.00 36.29 C ATOM 548 OE1 GLN A 61 93.743 127.830 19.105 1.00 31.41 O ATOM 549 NE2 GLN A 61 94.809 127.832 17.127 1.00 35.70 N ATOM 550 HE22 GLN A 61 94.869 127.446 16.163 1.00 0.00 H ATOM 551 HE21 GLN A 61 95.492 128.550 17.443 1.00 0.00 H ATOM 552 H GLN A 61 90.562 123.611 18.535 1.00 0.00 H ATOM 553 N ILE A 62 92.359 121.694 16.279 1.00 12.43 N ATOM 554 CA ILE A 62 92.892 120.532 15.574 1.00 12.56 C ATOM 555 C ILE A 62 92.668 120.723 14.082 1.00 10.38 C ATOM 556 O ILE A 62 91.556 121.046 13.651 1.00 10.66 O ATOM 557 CB ILE A 62 92.221 119.232 16.059 1.00 15.05 C ATOM 558 CG1 ILE A 62 92.551 118.961 17.530 1.00 25.59 C ATOM 559 CG2 ILE A 62 92.620 118.040 15.181 1.00 27.98 C ATOM 560 CD1 ILE A 62 94.021 118.697 17.804 1.00 33.37 C ATOM 561 H ILE A 62 91.344 121.713 16.503 1.00 0.00 H ATOM 562 N LEU A 63 93.716 120.504 13.289 1.00 9.74 N ATOM 563 CA LEU A 63 93.567 120.494 11.842 1.00 12.03 C ATOM 564 C LEU A 63 92.816 119.243 11.408 1.00 14.39 C ATOM 565 O LEU A 63 93.132 118.133 11.843 1.00 13.84 O ATOM 566 CB LEU A 63 94.933 120.544 11.161 1.00 14.53 C ATOM 567 CG LEU A 63 94.946 120.303 9.648 1.00 19.14 C ATOM 568 CD1 LEU A 63 94.124 121.364 8.920 1.00 17.71 C ATOM 569 CD2 LEU A 63 96.374 120.270 9.134 1.00 25.63 C ATOM 570 H LEU A 63 94.652 120.338 13.710 1.00 0.00 H ATOM 571 N ILE A 64 91.822 119.420 10.547 1.00 9.51 N ATOM 572 CA ILE A 64 91.063 118.291 10.024 1.00 13.42 C ATOM 573 C ILE A 64 90.657 118.613 8.595 1.00 11.95 C ATOM 574 O ILE A 64 90.114 119.688 8.321 1.00 14.00 O ATOM 575 CB ILE A 64 89.841 117.984 10.915 1.00 20.46 C ATOM 576 CG1 ILE A 64 89.004 116.848 10.328 1.00 18.54 C ATOM 577 CG2 ILE A 64 88.991 119.225 11.103 1.00 19.10 C ATOM 578 CD1 ILE A 64 88.072 116.198 11.351 1.00 24.24 C ATOM 579 H ILE A 64 91.580 120.383 10.239 1.00 0.00 H ATOM 580 N GLU A 65 90.939 117.689 7.680 1.00 13.25 N ATOM 581 CA GLU A 65 90.561 117.830 6.281 1.00 13.30 C ATOM 582 C GLU A 65 89.290 117.029 6.034 1.00 17.60 C ATOM 583 O GLU A 65 89.253 115.820 6.287 1.00 14.84 O ATOM 584 CB GLU A 65 91.677 117.357 5.352 1.00 22.52 C ATOM 585 CG GLU A 65 92.530 118.470 4.779 1.00 32.79 C ATOM 586 CD GLU A 65 93.356 118.006 3.594 1.00 41.48 C ATOM 587 OE1 GLU A 65 94.330 117.253 3.803 1.00 33.52 O ATOM 588 OE2 GLU A 65 93.018 118.382 2.451 1.00 33.28 O ATOM 589 H GLU A 65 91.449 116.832 7.976 1.00 0.00 H ATOM 590 N ILE A 66 88.261 117.702 5.534 1.00 10.81 N ATOM 591 CA ILE A 66 86.957 117.098 5.297 1.00 11.75 C ATOM 592 C ILE A 66 86.700 117.166 3.800 1.00 12.74 C ATOM 593 O ILE A 66 86.464 118.252 3.253 1.00 13.62 O ATOM 594 CB ILE A 66 85.846 117.806 6.084 1.00 12.70 C ATOM 595 CG1 ILE A 66 86.128 117.724 7.585 1.00 13.08 C ATOM 596 CG2 ILE A 66 84.478 117.194 5.765 1.00 16.04 C ATOM 597 CD1 ILE A 66 85.440 118.793 8.395 1.00 12.48 C ATOM 598 H ILE A 66 88.392 118.707 5.301 1.00 0.00 H ATOM 599 N CYS A 67 86.753 116.014 3.135 1.00 17.97 N ATOM 600 CA CYS A 67 86.454 115.935 1.709 1.00 22.03 C ATOM 601 C CYS A 67 87.204 117.019 0.937 1.00 22.62 C ATOM 602 O CYS A 67 86.643 117.706 0.082 1.00 21.67 O ATOM 603 CB CYS A 67 84.944 116.032 1.473 1.00 20.80 C ATOM 604 SG CYS A 67 84.391 115.406 -0.120 1.00 32.90 S ATOM 605 H CYS A 67 87.015 115.147 3.646 1.00 0.00 H ATOM 606 N GLY A 68 88.485 117.190 1.261 1.00 21.12 N ATOM 607 CA GLY A 68 89.333 118.136 0.567 1.00 25.49 C ATOM 608 C GLY A 68 89.272 119.564 1.065 1.00 22.86 C ATOM 609 O GLY A 68 89.978 120.422 0.518 1.00 21.42 O ATOM 610 H GLY A 68 88.888 116.626 2.037 1.00 0.00 H ATOM 611 N HIS A 69 88.456 119.856 2.072 1.00 15.80 N ATOM 612 CA HIS A 69 88.364 121.193 2.641 1.00 17.70 C ATOM 613 C HIS A 69 88.935 121.195 4.051 1.00 19.86 C ATOM 614 O HIS A 69 88.686 120.275 4.838 1.00 13.22 O ATOM 615 CB HIS A 69 86.917 121.686 2.658 1.00 19.94 C ATOM 616 CG HIS A 69 86.338 121.896 1.293 1.00 14.61 C ATOM 617 ND1 HIS A 69 86.182 120.870 0.386 1.00 20.73 N ATOM 618 CD2 HIS A 69 85.881 123.013 0.680 1.00 19.82 C ATOM 619 CE1 HIS A 69 85.650 121.346 -0.726 1.00 24.95 C ATOM 620 NE2 HIS A 69 85.458 122.643 -0.574 1.00 19.74 N ATOM 621 H HIS A 69 87.861 119.101 2.469 1.00 0.00 H ATOM 622 N LYS A 70 89.695 122.240 4.364 1.00 15.33 N ATOM 623 CA LYS A 70 90.430 122.314 5.616 1.00 17.64 C ATOM 624 C LYS A 70 89.606 123.017 6.685 1.00 9.92 C ATOM 625 O LYS A 70 88.913 124.002 6.412 1.00 14.53 O ATOM 626 CB LYS A 70 91.757 123.047 5.412 1.00 26.49 C ATOM 627 H LYS A 70 89.766 123.030 3.691 1.00 0.00 H ATOM 628 N ALA A 71 89.691 122.496 7.905 1.00 10.83 N ATOM 629 CA ALA A 71 89.087 123.115 9.072 1.00 10.82 C ATOM 630 C ALA A 71 90.053 122.984 10.239 1.00 12.04 C ATOM 631 O ALA A 71 90.853 122.048 10.300 1.00 14.66 O ATOM 632 CB ALA A 71 87.738 122.476 9.427 1.00 7.47 C ATOM 633 H ALA A 71 90.213 121.605 8.029 1.00 0.00 H ATOM 634 N ILE A 72 89.980 123.940 11.156 1.00 12.08 N ATOM 635 CA ILE A 72 90.792 123.937 12.368 1.00 10.05 C ATOM 636 C ILE A 72 89.852 124.279 13.511 1.00 10.31 C ATOM 637 O ILE A 72 89.370 125.415 13.600 1.00 12.71 O ATOM 638 CB ILE A 72 91.958 124.934 12.303 1.00 14.80 C ATOM 639 CG1 ILE A 72 92.804 124.692 11.044 1.00 16.38 C ATOM 640 CG2 ILE A 72 92.819 124.828 13.570 1.00 14.44 C ATOM 641 CD1 ILE A 72 93.850 125.767 10.773 1.00 15.82 C ATOM 642 H ILE A 72 89.315 124.725 11.004 1.00 0.00 H ATOM 643 N GLY A 73 89.580 123.311 14.374 1.00 8.78 N ATOM 644 CA GLY A 73 88.631 123.552 15.436 1.00 8.72 C ATOM 645 C GLY A 73 88.613 122.455 16.470 1.00 14.64 C ATOM 646 O GLY A 73 89.538 121.648 16.569 1.00 9.85 O ATOM 647 H GLY A 73 90.046 122.385 14.287 1.00 0.00 H ATOM 648 N THR A 74 87.533 122.443 17.241 1.00 11.74 N ATOM 649 CA THR A 74 87.422 121.552 18.384 1.00 13.88 C ATOM 650 C THR A 74 86.938 120.182 17.930 1.00 11.79 C ATOM 651 O THR A 74 85.937 120.070 17.215 1.00 9.90 O ATOM 652 CB THR A 74 86.466 122.137 19.423 1.00 15.96 C ATOM 653 OG1 THR A 74 86.920 123.441 19.809 1.00 18.00 O ATOM 654 CG2 THR A 74 86.407 121.246 20.653 1.00 18.51 C ATOM 655 HG1 THR A 74 87.828 123.371 20.197 1.00 0.00 H ATOM 656 H THR A 74 86.746 123.087 17.022 1.00 0.00 H ATOM 657 N VAL A 75 87.655 119.145 18.345 1.00 12.34 N ATOM 658 CA VAL A 75 87.310 117.762 18.037 1.00 12.95 C ATOM 659 C VAL A 75 87.176 117.020 19.355 1.00 13.75 C ATOM 660 O VAL A 75 88.105 117.026 20.174 1.00 11.69 O ATOM 661 CB VAL A 75 88.364 117.097 17.138 1.00 15.75 C ATOM 662 CG1 VAL A 75 88.041 115.621 16.915 1.00 16.72 C ATOM 663 CG2 VAL A 75 88.449 117.820 15.811 1.00 16.42 C ATOM 664 H VAL A 75 88.504 119.328 18.917 1.00 0.00 H ATOM 665 N LEU A 76 86.023 116.395 19.564 1.00 11.54 N ATOM 666 CA LEU A 76 85.775 115.567 20.735 1.00 12.83 C ATOM 667 C LEU A 76 85.985 114.106 20.362 1.00 12.61 C ATOM 668 O LEU A 76 85.524 113.655 19.312 1.00 12.61 O ATOM 669 CB LEU A 76 84.353 115.772 21.258 1.00 12.99 C ATOM 670 CG LEU A 76 83.905 117.225 21.407 1.00 15.50 C ATOM 671 CD1 LEU A 76 82.447 117.279 21.809 1.00 15.25 C ATOM 672 CD2 LEU A 76 84.771 117.946 22.426 1.00 16.55 C ATOM 673 H LEU A 76 85.265 116.502 18.861 1.00 0.00 H ATOM 674 N VAL A 77 86.682 113.370 21.224 1.00 10.17 N ATOM 675 CA VAL A 77 87.018 111.972 20.979 1.00 7.53 C ATOM 676 C VAL A 77 86.453 111.136 22.118 1.00 14.26 C ATOM 677 O VAL A 77 86.676 111.444 23.295 1.00 12.00 O ATOM 678 CB VAL A 77 88.539 111.774 20.840 1.00 14.92 C ATOM 679 CG1 VAL A 77 88.891 110.303 20.780 1.00 24.57 C ATOM 680 CG2 VAL A 77 89.043 112.489 19.589 1.00 16.19 C ATOM 681 H VAL A 77 87.001 113.811 22.110 1.00 0.00 H ATOM 682 N GLY A 78 85.721 110.084 21.769 1.00 13.88 N ATOM 683 CA GLY A 78 85.101 109.244 22.763 1.00 18.72 C ATOM 684 C GLY A 78 84.281 108.130 22.149 1.00 13.12 C ATOM 685 O GLY A 78 84.322 107.892 20.939 1.00 15.32 O ATOM 686 H GLY A 78 85.593 109.862 20.761 1.00 0.00 H ATOM 687 N PRO A 79 83.523 107.416 22.981 1.00 12.43 N ATOM 688 CA PRO A 79 82.749 106.255 22.507 1.00 16.54 C ATOM 689 C PRO A 79 81.462 106.662 21.794 1.00 12.59 C ATOM 690 O PRO A 79 80.353 106.302 22.197 1.00 13.05 O ATOM 691 CB PRO A 79 82.487 105.487 23.808 1.00 14.08 C ATOM 692 CG PRO A 79 82.400 106.558 24.853 1.00 16.13 C ATOM 693 CD PRO A 79 83.387 107.617 24.436 1.00 12.56 C ATOM 694 N THR A 80 81.612 107.430 20.711 1.00 14.34 N ATOM 695 CA THR A 80 80.465 107.852 19.922 1.00 13.30 C ATOM 696 C THR A 80 79.966 106.699 19.049 1.00 9.31 C ATOM 697 O THR A 80 80.756 105.865 18.599 1.00 10.87 O ATOM 698 CB THR A 80 80.824 109.046 19.036 1.00 10.85 C ATOM 699 OG1 THR A 80 79.679 109.435 18.269 1.00 12.33 O ATOM 700 CG2 THR A 80 81.974 108.713 18.084 1.00 11.59 C ATOM 701 HG1 THR A 80 79.391 108.677 17.701 1.00 0.00 H ATOM 702 H THR A 80 82.566 107.732 20.427 1.00 0.00 H ATOM 703 N PRO A 81 78.657 106.622 18.796 1.00 9.80 N ATOM 704 CA PRO A 81 78.160 105.541 17.931 1.00 10.88 C ATOM 705 C PRO A 81 78.685 105.620 16.513 1.00 12.42 C ATOM 706 O PRO A 81 78.814 104.582 15.850 1.00 9.24 O ATOM 707 CB PRO A 81 76.633 105.712 17.989 1.00 19.61 C ATOM 708 CG PRO A 81 76.410 107.102 18.458 1.00 23.70 C ATOM 709 CD PRO A 81 77.558 107.427 19.353 1.00 18.01 C ATOM 710 N VAL A 82 78.991 106.823 16.025 1.00 12.65 N ATOM 711 CA VAL A 82 79.493 107.022 14.672 1.00 11.17 C ATOM 712 C VAL A 82 80.339 108.287 14.676 1.00 5.79 C ATOM 713 O VAL A 82 80.092 109.212 15.451 1.00 6.71 O ATOM 714 CB VAL A 82 78.352 107.149 13.629 1.00 20.30 C ATOM 715 CG1 VAL A 82 78.914 107.054 12.217 1.00 23.09 C ATOM 716 CG2 VAL A 82 77.267 106.097 13.845 1.00 31.14 C ATOM 717 H VAL A 82 78.866 107.655 16.637 1.00 0.00 H ATOM 718 N ASN A 83 81.345 108.327 13.806 1.00 11.96 N ATOM 719 CA ASN A 83 82.089 109.564 13.599 1.00 10.68 C ATOM 720 C ASN A 83 81.164 110.595 12.962 1.00 8.93 C ATOM 721 O ASN A 83 80.597 110.347 11.890 1.00 7.62 O ATOM 722 CB ASN A 83 83.302 109.323 12.708 1.00 5.89 C ATOM 723 CG ASN A 83 84.345 108.426 13.351 1.00 8.74 C ATOM 724 OD1 ASN A 83 84.452 108.337 14.576 1.00 12.38 O ATOM 725 ND2 ASN A 83 85.129 107.764 12.516 1.00 13.15 N ATOM 726 HD22 ASN A 83 85.002 107.870 11.489 1.00 0.00 H ATOM 727 HD21 ASN A 83 85.872 107.138 12.886 1.00 0.00 H ATOM 728 H ASN A 83 81.602 107.473 13.271 1.00 0.00 H ATOM 729 N ILE A 84 81.014 111.751 13.606 1.00 6.82 N ATOM 730 CA ILE A 84 80.111 112.793 13.132 1.00 4.76 C ATOM 731 C ILE A 84 80.863 114.110 13.013 1.00 7.19 C ATOM 732 O ILE A 84 81.609 114.496 13.923 1.00 7.43 O ATOM 733 CB ILE A 84 78.886 112.958 14.052 1.00 6.79 C ATOM 734 CG1 ILE A 84 79.323 113.283 15.486 1.00 9.91 C ATOM 735 CG2 ILE A 84 78.025 111.704 13.993 1.00 11.18 C ATOM 736 CD1 ILE A 84 78.190 113.553 16.424 1.00 12.47 C ATOM 737 H ILE A 84 81.559 111.916 14.476 1.00 0.00 H ATOM 738 N ILE A 85 80.675 114.786 11.883 1.00 7.24 N ATOM 739 CA ILE A 85 81.141 116.150 11.683 1.00 6.60 C ATOM 740 C ILE A 85 79.978 117.080 11.993 1.00 7.40 C ATOM 741 O ILE A 85 78.945 117.038 11.315 1.00 7.80 O ATOM 742 CB ILE A 85 81.649 116.365 10.249 1.00 8.76 C ATOM 743 CG1 ILE A 85 82.673 115.293 9.870 1.00 5.19 C ATOM 744 CG2 ILE A 85 82.251 117.757 10.103 1.00 8.44 C ATOM 745 CD1 ILE A 85 83.853 115.177 10.830 1.00 9.29 C ATOM 746 H ILE A 85 80.170 114.317 11.104 1.00 0.00 H ATOM 747 N GLY A 86 80.139 117.914 13.021 1.00 5.24 N ATOM 748 CA GLY A 86 79.087 118.795 13.475 1.00 6.46 C ATOM 749 C GLY A 86 79.238 120.215 12.941 1.00 5.38 C ATOM 750 O GLY A 86 80.161 120.544 12.202 1.00 8.59 O ATOM 751 H GLY A 86 81.055 117.931 13.514 1.00 0.00 H ATOM 752 N ARG A 87 78.302 121.074 13.359 1.00 8.90 N ATOM 753 CA ARG A 87 78.198 122.403 12.760 1.00 7.53 C ATOM 754 C ARG A 87 79.441 123.247 13.014 1.00 8.77 C ATOM 755 O ARG A 87 79.740 124.156 12.230 1.00 8.39 O ATOM 756 CB ARG A 87 76.950 123.122 13.278 1.00 8.48 C ATOM 757 CG ARG A 87 75.647 122.547 12.717 1.00 7.00 C ATOM 758 CD ARG A 87 74.431 123.367 13.121 1.00 6.89 C ATOM 759 NE ARG A 87 74.303 123.474 14.573 1.00 9.86 N ATOM 760 CZ ARG A 87 74.702 124.511 15.307 1.00 10.09 C ATOM 761 NH1 ARG A 87 75.252 125.577 14.740 1.00 8.48 N ATOM 762 NH2 ARG A 87 74.540 124.485 16.623 1.00 11.91 N ATOM 763 HE ARG A 87 73.864 122.675 15.074 1.00 0.00 H ATOM 764 HH12 ARG A 87 75.558 126.379 15.327 1.00 0.00 H ATOM 765 HH11 ARG A 87 75.377 125.611 13.708 1.00 0.00 H ATOM 766 HH22 ARG A 87 74.850 125.292 17.201 1.00 0.00 H ATOM 767 HH21 ARG A 87 74.103 123.658 17.077 1.00 0.00 H ATOM 768 H ARG A 87 77.644 120.795 14.115 1.00 0.00 H ATOM 769 N ASN A 88 80.188 122.965 14.081 1.00 9.25 N ATOM 770 CA ASN A 88 81.374 123.770 14.360 1.00 9.98 C ATOM 771 C ASN A 88 82.391 123.675 13.229 1.00 15.22 C ATOM 772 O ASN A 88 83.112 124.642 12.963 1.00 9.28 O ATOM 773 CB ASN A 88 82.005 123.351 15.688 1.00 11.23 C ATOM 774 CG ASN A 88 82.625 121.969 15.636 1.00 11.83 C ATOM 775 OD1 ASN A 88 82.000 121.012 15.184 1.00 7.57 O ATOM 776 ND2 ASN A 88 83.866 121.859 16.104 1.00 15.12 N ATOM 777 HD22 ASN A 88 84.357 122.696 16.477 1.00 0.00 H ATOM 778 HD21 ASN A 88 84.345 120.936 16.096 1.00 0.00 H ATOM 779 H ASN A 88 79.928 122.178 14.710 1.00 0.00 H ATOM 780 N LEU A 89 82.451 122.535 12.540 1.00 10.56 N ATOM 781 CA LEU A 89 83.324 122.381 11.383 1.00 8.68 C ATOM 782 C LEU A 89 82.588 122.482 10.058 1.00 8.12 C ATOM 783 O LEU A 89 83.190 122.903 9.064 1.00 8.93 O ATOM 784 CB LEU A 89 84.053 121.035 11.441 1.00 6.48 C ATOM 785 CG LEU A 89 84.853 120.778 12.720 1.00 10.78 C ATOM 786 CD1 LEU A 89 85.562 119.439 12.626 1.00 12.53 C ATOM 787 CD2 LEU A 89 85.856 121.897 12.999 1.00 11.63 C ATOM 788 H LEU A 89 81.858 121.733 12.836 1.00 0.00 H ATOM 789 N LEU A 90 81.306 122.109 10.011 1.00 6.55 N ATOM 790 CA LEU A 90 80.550 122.273 8.774 1.00 4.78 C ATOM 791 C LEU A 90 80.523 123.735 8.348 1.00 8.93 C ATOM 792 O LEU A 90 80.623 124.044 7.154 1.00 8.03 O ATOM 793 CB LEU A 90 79.127 121.737 8.943 1.00 5.08 C ATOM 794 CG LEU A 90 78.949 120.235 9.203 1.00 6.32 C ATOM 795 CD1 LEU A 90 77.468 119.917 9.444 1.00 8.31 C ATOM 796 CD2 LEU A 90 79.502 119.401 8.066 1.00 9.65 C ATOM 797 H LEU A 90 80.849 121.703 10.853 1.00 0.00 H ATOM 798 N THR A 91 80.405 124.650 9.312 1.00 9.40 N ATOM 799 CA THR A 91 80.431 126.072 8.985 1.00 10.68 C ATOM 800 C THR A 91 81.772 126.473 8.386 1.00 11.91 C ATOM 801 O THR A 91 81.826 127.286 7.456 1.00 10.74 O ATOM 802 CB THR A 91 80.143 126.915 10.229 1.00 8.83 C ATOM 803 OG1 THR A 91 81.093 126.607 11.254 1.00 12.77 O ATOM 804 CG2 THR A 91 78.723 126.673 10.743 1.00 11.91 C ATOM 805 HG1 THR A 91 80.901 127.155 12.056 1.00 0.00 H ATOM 806 H THR A 91 80.294 124.348 10.301 1.00 0.00 H ATOM 807 N GLN A 92 82.868 125.916 8.909 1.00 14.18 N ATOM 808 CA GLN A 92 84.193 126.312 8.440 1.00 10.66 C ATOM 809 C GLN A 92 84.423 125.921 6.988 1.00 19.55 C ATOM 810 O GLN A 92 85.158 126.610 6.272 1.00 15.66 O ATOM 811 CB GLN A 92 85.277 125.690 9.319 1.00 7.16 C ATOM 812 CG GLN A 92 85.357 126.282 10.712 1.00 11.65 C ATOM 813 CD GLN A 92 86.668 125.965 11.393 1.00 10.61 C ATOM 814 OE1 GLN A 92 87.660 125.641 10.738 1.00 9.78 O ATOM 815 NE2 GLN A 92 86.681 126.053 12.713 1.00 10.70 N ATOM 816 HE22 GLN A 92 85.819 126.331 13.224 1.00 0.00 H ATOM 817 HE21 GLN A 92 87.553 125.845 13.239 1.00 0.00 H ATOM 818 H GLN A 92 82.777 125.196 9.654 1.00 0.00 H ATOM 819 N ILE A 93 83.819 124.827 6.532 1.00 11.75 N ATOM 820 CA ILE A 93 84.039 124.378 5.163 1.00 10.72 C ATOM 821 C ILE A 93 82.974 124.958 4.240 1.00 12.18 C ATOM 822 O ILE A 93 82.924 124.619 3.053 1.00 10.67 O ATOM 823 CB ILE A 93 84.073 122.840 5.082 1.00 13.97 C ATOM 824 CG1 ILE A 93 82.742 122.234 5.531 1.00 11.57 C ATOM 825 CG2 ILE A 93 85.219 122.305 5.931 1.00 13.72 C ATOM 826 CD1 ILE A 93 82.673 120.721 5.336 1.00 15.71 C ATOM 827 H ILE A 93 83.185 124.288 7.157 1.00 0.00 H ATOM 828 N GLY A 94 82.133 125.844 4.769 1.00 13.47 N ATOM 829 CA GLY A 94 81.132 126.510 3.956 1.00 14.67 C ATOM 830 C GLY A 94 79.932 125.657 3.618 1.00 17.45 C ATOM 831 O GLY A 94 79.300 125.870 2.580 1.00 12.35 O ATOM 832 H GLY A 94 82.194 126.063 5.784 1.00 0.00 H ATOM 833 N CYS A 95 79.590 124.704 4.477 1.00 11.77 N ATOM 834 CA CYS A 95 78.513 123.769 4.200 1.00 10.23 C ATOM 835 C CYS A 95 77.158 124.384 4.534 1.00 14.57 C ATOM 836 O CYS A 95 76.983 125.017 5.579 1.00 11.23 O ATOM 837 CB CYS A 95 78.736 122.486 5.001 1.00 17.71 C ATOM 838 SG CYS A 95 77.635 121.134 4.594 1.00 18.15 S ATOM 839 H CYS A 95 80.109 124.624 5.375 1.00 0.00 H ATOM 840 N THR A 96 76.199 124.197 3.629 1.00 9.36 N ATOM 841 CA THR A 96 74.841 124.679 3.825 1.00 7.71 C ATOM 842 C THR A 96 73.847 123.617 3.369 1.00 11.52 C ATOM 843 O THR A 96 74.170 122.730 2.575 1.00 9.99 O ATOM 844 CB THR A 96 74.584 125.982 3.053 1.00 12.36 C ATOM 845 OG1 THR A 96 74.636 125.721 1.645 1.00 12.12 O ATOM 846 CG2 THR A 96 75.628 127.040 3.402 1.00 15.08 C ATOM 847 HG1 THR A 96 73.943 125.054 1.408 1.00 0.00 H ATOM 848 H THR A 96 76.429 123.689 2.751 1.00 0.00 H ATOM 849 N LEU A 97 72.627 123.723 3.888 1.00 10.01 N ATOM 850 CA LEU A 97 71.498 122.948 3.396 1.00 12.05 C ATOM 851 C LEU A 97 70.733 123.771 2.371 1.00 12.59 C ATOM 852 O LEU A 97 70.564 124.984 2.534 1.00 13.89 O ATOM 853 CB LEU A 97 70.566 122.555 4.542 1.00 11.77 C ATOM 854 CG LEU A 97 71.055 121.457 5.479 1.00 12.61 C ATOM 855 CD1 LEU A 97 70.311 121.544 6.807 1.00 19.62 C ATOM 856 CD2 LEU A 97 70.850 120.094 4.836 1.00 14.25 C ATOM 857 H LEU A 97 72.474 124.385 4.675 1.00 0.00 H ATOM 858 N ASN A 98 70.270 123.109 1.312 1.00 10.69 N ATOM 859 CA ASN A 98 69.624 123.806 0.207 1.00 11.26 C ATOM 860 C ASN A 98 68.485 122.965 -0.348 1.00 13.74 C ATOM 861 O ASN A 98 68.652 121.766 -0.592 1.00 9.87 O ATOM 862 CB ASN A 98 70.638 124.124 -0.902 1.00 12.22 C ATOM 863 CG ASN A 98 71.840 124.886 -0.390 1.00 18.22 C ATOM 864 OD1 ASN A 98 72.767 124.301 0.171 1.00 14.26 O ATOM 865 ND2 ASN A 98 71.833 126.202 -0.580 1.00 14.85 N ATOM 866 HD22 ASN A 98 71.028 126.654 -1.059 1.00 0.00 H ATOM 867 HD21 ASN A 98 72.632 126.779 -0.249 1.00 0.00 H ATOM 868 H ASN A 98 70.371 122.075 1.273 1.00 0.00 H ATOM 869 N PHE A 99 67.331 123.600 -0.542 1.00 11.58 N ATOM 870 CA PHE A 99 66.191 122.971 -1.203 1.00 12.22 C ATOM 871 C PHE A 99 65.225 124.047 -1.684 1.00 21.15 C ATOM 872 O PHE A 99 64.124 123.757 -2.149 1.00 18.43 O ATOM 873 CB PHE A 99 65.482 121.974 -0.276 1.00 14.10 C ATOM 874 CG PHE A 99 64.890 122.585 0.966 1.00 17.71 C ATOM 875 CD1 PHE A 99 65.682 122.843 2.072 1.00 12.05 C ATOM 876 CD2 PHE A 99 63.535 122.859 1.043 1.00 21.55 C ATOM 877 CE1 PHE A 99 65.142 123.388 3.219 1.00 18.26 C ATOM 878 CE2 PHE A 99 62.986 123.402 2.194 1.00 22.04 C ATOM 879 CZ PHE A 99 63.792 123.668 3.281 1.00 21.21 C ATOM 880 OXT PHE A 99 65.538 125.238 -1.625 1.00 16.05 O ATOM 881 H PHE A 99 67.238 124.581 -0.210 1.00 0.00 H TER 882 PHE A 99 ATOM 883 N PRO B 1 64.952 127.197 0.045 1.00 24.86 N ATOM 884 CA PRO B 1 65.841 128.164 0.695 1.00 19.18 C ATOM 885 C PRO B 1 67.232 127.616 0.963 1.00 21.05 C ATOM 886 O PRO B 1 67.452 126.413 0.834 1.00 16.31 O ATOM 887 CB PRO B 1 65.117 128.467 2.010 1.00 29.28 C ATOM 888 CG PRO B 1 64.379 127.216 2.316 1.00 21.25 C ATOM 889 CD PRO B 1 63.958 126.650 0.986 1.00 26.19 C ATOM 890 HN2 PRO B 1 65.524 126.415 -0.334 1.00 0.00 H ATOM 891 HN1 PRO B 1 64.453 127.670 -0.736 1.00 0.00 H ATOM 892 N GLN B 2 68.160 128.505 1.310 1.00 14.69 N ATOM 893 CA GLN B 2 69.495 128.126 1.746 1.00 17.05 C ATOM 894 C GLN B 2 69.588 128.317 3.252 1.00 19.20 C ATOM 895 O GLN B 2 69.243 129.385 3.771 1.00 19.55 O ATOM 896 CB GLN B 2 70.569 128.954 1.040 1.00 19.20 C ATOM 897 CG GLN B 2 71.972 128.719 1.582 1.00 21.80 C ATOM 898 CD GLN B 2 73.050 129.275 0.674 1.00 28.45 C ATOM 899 OE1 GLN B 2 73.320 128.727 -0.394 1.00 26.59 O ATOM 900 NE2 GLN B 2 73.672 130.370 1.095 1.00 34.06 N ATOM 901 HE22 GLN B 2 73.410 130.799 2.005 1.00 0.00 H ATOM 902 HE21 GLN B 2 74.421 130.798 0.514 1.00 0.00 H ATOM 903 H GLN B 2 67.920 129.516 1.267 1.00 0.00 H ATOM 904 N ILE B 3 70.053 127.288 3.948 1.00 11.69 N ATOM 905 CA ILE B 3 70.095 127.280 5.405 1.00 16.33 C ATOM 906 C ILE B 3 71.551 127.145 5.822 1.00 15.61 C ATOM 907 O ILE B 3 72.165 126.087 5.634 1.00 15.26 O ATOM 908 CB ILE B 3 69.235 126.154 5.991 1.00 21.98 C ATOM 909 CG1 ILE B 3 67.777 126.354 5.565 1.00 19.68 C ATOM 910 CG2 ILE B 3 69.351 126.110 7.516 1.00 16.76 C ATOM 911 CD1 ILE B 3 66.880 125.198 5.883 1.00 19.63 C ATOM 912 H ILE B 3 70.401 126.454 3.434 1.00 0.00 H ATOM 913 N THR B 4 72.110 128.218 6.372 1.00 13.90 N ATOM 914 CA THR B 4 73.454 128.173 6.920 1.00 12.92 C ATOM 915 C THR B 4 73.436 127.454 8.267 1.00 9.69 C ATOM 916 O THR B 4 72.382 127.242 8.874 1.00 11.53 O ATOM 917 CB THR B 4 74.028 129.584 7.084 1.00 13.58 C ATOM 918 OG1 THR B 4 73.267 130.305 8.059 1.00 14.23 O ATOM 919 CG2 THR B 4 74.005 130.336 5.754 1.00 18.05 C ATOM 920 HG1 THR B 4 72.325 130.366 7.761 1.00 0.00 H ATOM 921 H THR B 4 71.574 129.108 6.411 1.00 0.00 H ATOM 922 N LEU B 5 74.624 127.075 8.734 1.00 8.26 N ATOM 923 CA LEU B 5 74.750 126.232 9.917 1.00 8.59 C ATOM 924 C LEU B 5 75.428 126.952 11.077 1.00 11.97 C ATOM 925 O LEU B 5 75.931 126.300 11.998 1.00 9.65 O ATOM 926 CB LEU B 5 75.495 124.946 9.558 1.00 7.96 C ATOM 927 CG LEU B 5 74.762 124.090 8.519 1.00 9.61 C ATOM 928 CD1 LEU B 5 75.656 122.974 7.985 1.00 11.33 C ATOM 929 CD2 LEU B 5 73.479 123.511 9.100 1.00 8.00 C ATOM 930 H LEU B 5 75.485 127.389 8.242 1.00 0.00 H ATOM 931 N TRP B 6 75.429 128.288 11.059 1.00 10.60 N ATOM 932 CA TRP B 6 75.880 129.052 12.219 1.00 9.28 C ATOM 933 C TRP B 6 75.082 128.681 13.457 1.00 11.70 C ATOM 934 O TRP B 6 75.637 128.572 14.560 1.00 7.55 O ATOM 935 CB TRP B 6 75.739 130.549 11.948 1.00 8.74 C ATOM 936 CG TRP B 6 76.542 131.041 10.791 1.00 11.72 C ATOM 937 CD1 TRP B 6 76.067 131.523 9.608 1.00 13.03 C ATOM 938 CD2 TRP B 6 77.969 131.107 10.710 1.00 13.42 C ATOM 939 NE1 TRP B 6 77.114 131.889 8.792 1.00 15.51 N ATOM 940 CE2 TRP B 6 78.292 131.643 9.449 1.00 19.46 C ATOM 941 CE3 TRP B 6 79.005 130.769 11.585 1.00 15.70 C ATOM 942 CZ2 TRP B 6 79.607 131.840 9.038 1.00 28.70 C ATOM 943 CZ3 TRP B 6 80.308 130.968 11.177 1.00 21.16 C ATOM 944 CH2 TRP B 6 80.597 131.498 9.916 1.00 25.69 C ATOM 945 HE1 TRP B 6 77.026 132.287 7.835 1.00 0.00 H ATOM 946 H TRP B 6 75.104 128.790 10.208 1.00 0.00 H ATOM 947 N LYS B 7 73.776 128.505 13.293 1.00 7.31 N ATOM 948 CA LYS B 7 72.867 128.087 14.344 1.00 7.39 C ATOM 949 C LYS B 7 72.200 126.785 13.923 1.00 8.74 C ATOM 950 O LYS B 7 72.316 126.340 12.778 1.00 9.72 O ATOM 951 CB LYS B 7 71.813 129.166 14.626 1.00 12.73 C ATOM 952 H LYS B 7 73.378 128.678 12.348 1.00 0.00 H ATOM 953 N ARG B 8 71.502 126.175 14.868 1.00 10.39 N ATOM 954 CA ARG B 8 70.792 124.937 14.587 1.00 7.49 C ATOM 955 C ARG B 8 69.833 125.156 13.417 1.00 9.35 C ATOM 956 O ARG B 8 69.102 126.154 13.403 1.00 9.40 O ATOM 957 CB ARG B 8 70.030 124.469 15.827 1.00 9.48 C ATOM 958 CG ARG B 8 70.942 124.018 16.953 1.00 14.56 C ATOM 959 CD ARG B 8 70.186 123.294 18.056 1.00 10.48 C ATOM 960 NE ARG B 8 71.105 122.666 19.003 1.00 14.24 N ATOM 961 CZ ARG B 8 70.729 121.927 20.042 1.00 21.34 C ATOM 962 NH1 ARG B 8 69.442 121.714 20.285 1.00 21.82 N ATOM 963 NH2 ARG B 8 71.643 121.397 20.842 1.00 14.01 N ATOM 964 HE ARG B 8 72.124 122.807 18.854 1.00 0.00 H ATOM 965 HH12 ARG B 8 69.156 121.135 21.100 1.00 0.00 H ATOM 966 HH11 ARG B 8 68.720 122.126 19.661 1.00 0.00 H ATOM 967 HH22 ARG B 8 71.350 120.819 21.655 1.00 0.00 H ATOM 968 HH21 ARG B 8 72.653 121.559 20.657 1.00 0.00 H ATOM 969 H ARG B 8 71.461 126.586 15.823 1.00 0.00 H ATOM 970 N PRO B 9 69.809 124.269 12.421 1.00 8.56 N ATOM 971 CA PRO B 9 68.926 124.496 11.256 1.00 9.52 C ATOM 972 C PRO B 9 67.469 124.170 11.559 1.00 14.02 C ATOM 973 O PRO B 9 66.884 123.203 11.050 1.00 9.01 O ATOM 974 CB PRO B 9 69.542 123.576 10.196 1.00 11.13 C ATOM 975 CG PRO B 9 70.124 122.466 10.967 1.00 11.03 C ATOM 976 CD PRO B 9 70.640 123.063 12.253 1.00 9.83 C ATOM 977 N LEU B 10 66.867 125.011 12.400 1.00 11.20 N ATOM 978 CA LEU B 10 65.479 124.856 12.813 1.00 11.70 C ATOM 979 C LEU B 10 64.552 125.550 11.824 1.00 15.83 C ATOM 980 O LEU B 10 64.807 126.680 11.401 1.00 17.30 O ATOM 981 CB LEU B 10 65.266 125.434 14.214 1.00 14.40 C ATOM 982 CG LEU B 10 65.975 124.676 15.338 1.00 20.38 C ATOM 983 CD1 LEU B 10 66.144 125.560 16.570 1.00 25.06 C ATOM 984 CD2 LEU B 10 65.197 123.417 15.682 1.00 16.98 C ATOM 985 H LEU B 10 67.412 125.812 12.777 1.00 0.00 H ATOM 986 N VAL B 11 63.470 124.861 11.455 1.00 11.47 N ATOM 987 CA VAL B 11 62.466 125.406 10.552 1.00 12.13 C ATOM 988 C VAL B 11 61.091 125.034 11.082 1.00 9.88 C ATOM 989 O VAL B 11 60.932 124.089 11.856 1.00 10.18 O ATOM 990 CB VAL B 11 62.621 124.898 9.100 1.00 17.34 C ATOM 991 CG1 VAL B 11 64.006 125.230 8.563 1.00 17.74 C ATOM 992 CG2 VAL B 11 62.347 123.390 9.017 1.00 18.74 C ATOM 993 H VAL B 11 63.339 123.898 11.826 1.00 0.00 H ATOM 994 N THR B 12 60.090 125.790 10.645 1.00 9.38 N ATOM 995 CA THR B 12 58.708 125.476 10.967 1.00 17.09 C ATOM 996 C THR B 12 58.201 124.375 10.043 1.00 14.69 C ATOM 997 O THR B 12 58.387 124.437 8.822 1.00 12.52 O ATOM 998 CB THR B 12 57.830 126.722 10.836 1.00 15.51 C ATOM 999 OG1 THR B 12 58.299 127.738 11.731 1.00 14.21 O ATOM 1000 CG2 THR B 12 56.379 126.402 11.168 1.00 18.27 C ATOM 1001 HG1 THR B 12 58.257 127.402 12.661 1.00 0.00 H ATOM 1002 H THR B 12 60.300 126.624 10.060 1.00 0.00 H ATOM 1003 N ILE B 13 57.554 123.371 10.630 1.00 10.07 N ATOM 1004 CA ILE B 13 56.907 122.304 9.883 1.00 11.69 C ATOM 1005 C ILE B 13 55.436 122.272 10.274 1.00 13.14 C ATOM 1006 O ILE B 13 55.032 122.794 11.316 1.00 14.31 O ATOM 1007 CB ILE B 13 57.566 120.933 10.135 1.00 11.52 C ATOM 1008 CG1 ILE B 13 57.408 120.523 11.609 1.00 14.79 C ATOM 1009 CG2 ILE B 13 59.030 120.988 9.751 1.00 11.63 C ATOM 1010 CD1 ILE B 13 57.742 119.088 11.895 1.00 13.26 C ATOM 1011 H ILE B 13 57.509 123.348 11.669 1.00 0.00 H ATOM 1012 N LYS B 14 54.631 121.640 9.423 1.00 12.36 N ATOM 1013 CA LYS B 14 53.205 121.487 9.670 1.00 12.77 C ATOM 1014 C LYS B 14 52.848 120.012 9.582 1.00 13.00 C ATOM 1015 O LYS B 14 53.123 119.365 8.567 1.00 12.53 O ATOM 1016 CB LYS B 14 52.380 122.301 8.673 1.00 20.53 C ATOM 1017 CG LYS B 14 50.891 122.310 8.982 1.00 28.68 C ATOM 1018 CD LYS B 14 50.138 123.263 8.066 1.00 35.87 C ATOM 1019 CE LYS B 14 49.540 122.540 6.868 1.00 42.55 C ATOM 1020 NZ LYS B 14 49.049 123.486 5.826 1.00 52.94 N ATOM 1021 HZ1 LYS B 14 48.314 124.098 6.234 1.00 0.00 H ATOM 1022 HZ2 LYS B 14 49.841 124.070 5.489 1.00 0.00 H ATOM 1023 HZ3 LYS B 14 48.651 122.947 5.030 1.00 0.00 H ATOM 1024 H LYS B 14 55.035 121.242 8.551 1.00 0.00 H ATOM 1025 N ILE B 15 52.234 119.490 10.642 1.00 9.20 N ATOM 1026 CA ILE B 15 51.784 118.103 10.702 1.00 9.90 C ATOM 1027 C ILE B 15 50.366 118.098 11.259 1.00 21.43 C ATOM 1028 O ILE B 15 50.127 118.602 12.363 1.00 15.64 O ATOM 1029 CB ILE B 15 52.714 117.230 11.565 1.00 11.28 C ATOM 1030 CG1 ILE B 15 52.164 115.804 11.688 1.00 14.16 C ATOM 1031 CG2 ILE B 15 52.924 117.854 12.948 1.00 16.97 C ATOM 1032 CD1 ILE B 15 53.118 114.833 12.349 1.00 16.64 C ATOM 1033 H ILE B 15 52.067 120.100 11.467 1.00 0.00 H ATOM 1034 N GLY B 16 49.431 117.548 10.492 1.00 24.58 N ATOM 1035 CA GLY B 16 48.054 117.440 10.962 1.00 25.05 C ATOM 1036 C GLY B 16 47.481 118.747 11.460 1.00 29.07 C ATOM 1037 O GLY B 16 46.763 118.770 12.468 1.00 33.58 O ATOM 1038 H GLY B 16 49.683 117.191 9.548 1.00 0.00 H ATOM 1039 N GLY B 17 47.792 119.848 10.780 1.00 26.41 N ATOM 1040 CA GLY B 17 47.281 121.148 11.143 1.00 34.27 C ATOM 1041 C GLY B 17 48.113 121.911 12.155 1.00 30.38 C ATOM 1042 O GLY B 17 47.936 123.128 12.284 1.00 26.78 O ATOM 1043 H GLY B 17 48.425 119.769 9.959 1.00 0.00 H ATOM 1044 N GLN B 18 49.012 121.239 12.874 1.00 19.17 N ATOM 1045 CA GLN B 18 49.802 121.870 13.923 1.00 18.91 C ATOM 1046 C GLN B 18 51.160 122.303 13.388 1.00 22.78 C ATOM 1047 O GLN B 18 51.776 121.599 12.585 1.00 18.44 O ATOM 1048 CB GLN B 18 50.009 120.912 15.097 1.00 22.63 C ATOM 1049 CG GLN B 18 48.742 120.475 15.808 1.00 32.53 C ATOM 1050 CD GLN B 18 49.045 119.678 17.065 1.00 37.22 C ATOM 1051 OE1 GLN B 18 49.741 118.662 17.013 1.00 31.51 O ATOM 1052 NE2 GLN B 18 48.538 120.145 18.203 1.00 37.29 N ATOM 1053 HE22 GLN B 18 47.956 121.007 18.198 1.00 0.00 H ATOM 1054 HE21 GLN B 18 48.724 119.648 19.098 1.00 0.00 H ATOM 1055 H GLN B 18 49.155 120.227 12.679 1.00 0.00 H ATOM 1056 N LEU B 19 51.634 123.454 13.856 1.00 14.10 N ATOM 1057 CA LEU B 19 52.953 123.955 13.498 1.00 12.33 C ATOM 1058 C LEU B 19 53.947 123.611 14.600 1.00 17.20 C ATOM 1059 O LEU B 19 53.665 123.822 15.782 1.00 12.01 O ATOM 1060 CB LEU B 19 52.925 125.466 13.278 1.00 16.85 C ATOM 1061 CG LEU B 19 51.831 125.985 12.339 1.00 17.71 C ATOM 1062 CD1 LEU B 19 52.201 127.365 11.857 1.00 28.12 C ATOM 1063 CD2 LEU B 19 51.582 125.054 11.154 1.00 28.54 C ATOM 1064 H LEU B 19 51.042 124.016 14.500 1.00 0.00 H ATOM 1065 N LYS B 20 55.111 123.095 14.205 1.00 11.06 N ATOM 1066 CA LYS B 20 56.171 122.721 15.134 1.00 13.00 C ATOM 1067 C LYS B 20 57.506 123.199 14.582 1.00 8.47 C ATOM 1068 O LYS B 20 57.664 123.369 13.372 1.00 9.57 O ATOM 1069 CB LYS B 20 56.230 121.201 15.349 1.00 13.03 C ATOM 1070 CG LYS B 20 54.966 120.582 15.932 1.00 14.63 C ATOM 1071 CD LYS B 20 55.044 119.061 15.893 1.00 18.48 C ATOM 1072 CE LYS B 20 53.872 118.399 16.613 1.00 20.79 C ATOM 1073 NZ LYS B 20 54.041 118.374 18.098 1.00 18.43 N ATOM 1074 HZ1 LYS B 20 54.902 117.843 18.339 1.00 0.00 H ATOM 1075 HZ2 LYS B 20 54.122 119.348 18.453 1.00 0.00 H ATOM 1076 HZ3 LYS B 20 53.216 117.913 18.532 1.00 0.00 H ATOM 1077 H LYS B 20 55.270 122.953 13.187 1.00 0.00 H ATOM 1078 N GLU B 21 58.467 123.415 15.480 1.00 11.74 N ATOM 1079 CA GLU B 21 59.841 123.704 15.086 1.00 12.93 C ATOM 1080 C GLU B 21 60.634 122.406 15.064 1.00 8.20 C ATOM 1081 O GLU B 21 60.592 121.632 16.024 1.00 8.29 O ATOM 1082 CB GLU B 21 60.502 124.697 16.044 1.00 19.02 C ATOM 1083 CG GLU B 21 59.937 126.107 16.001 1.00 28.38 C ATOM 1084 CD GLU B 21 59.908 126.687 14.598 1.00 27.93 C ATOM 1085 OE1 GLU B 21 58.800 126.804 14.033 1.00 27.67 O ATOM 1086 OE2 GLU B 21 60.988 127.014 14.059 1.00 24.42 O ATOM 1087 H GLU B 21 58.230 123.376 16.492 1.00 0.00 H ATOM 1088 N ALA B 22 61.365 122.176 13.978 1.00 6.87 N ATOM 1089 CA ALA B 22 62.052 120.909 13.798 1.00 8.15 C ATOM 1090 C ALA B 22 63.422 121.134 13.177 1.00 10.09 C ATOM 1091 O ALA B 22 63.632 122.067 12.399 1.00 9.58 O ATOM 1092 CB ALA B 22 61.233 119.943 12.932 1.00 7.75 C ATOM 1093 H ALA B 22 61.446 122.912 13.248 1.00 0.00 H ATOM 1094 N LEU B 23 64.346 120.252 13.543 1.00 8.64 N ATOM 1095 CA LEU B 23 65.710 120.272 13.042 1.00 6.52 C ATOM 1096 C LEU B 23 65.796 119.563 11.695 1.00 6.72 C ATOM 1097 O LEU B 23 65.307 118.440 11.544 1.00 10.01 O ATOM 1098 CB LEU B 23 66.618 119.583 14.057 1.00 12.65 C ATOM 1099 CG LEU B 23 68.042 120.078 14.263 1.00 20.60 C ATOM 1100 CD1 LEU B 23 68.041 121.478 14.812 1.00 18.76 C ATOM 1101 CD2 LEU B 23 68.767 119.127 15.216 1.00 19.18 C ATOM 1102 H LEU B 23 64.080 119.510 14.222 1.00 0.00 H ATOM 1103 N LEU B 24 66.420 120.213 10.716 1.00 5.34 N ATOM 1104 CA LEU B 24 66.772 119.555 9.458 1.00 7.32 C ATOM 1105 C LEU B 24 68.099 118.844 9.676 1.00 9.43 C ATOM 1106 O LEU B 24 69.157 119.476 9.705 1.00 9.89 O ATOM 1107 CB LEU B 24 66.863 120.562 8.321 1.00 14.06 C ATOM 1108 CG LEU B 24 65.605 121.384 8.034 1.00 10.73 C ATOM 1109 CD1 LEU B 24 65.806 122.183 6.758 1.00 20.46 C ATOM 1110 CD2 LEU B 24 64.372 120.500 7.924 1.00 12.09 C ATOM 1111 H LEU B 24 66.664 121.215 10.849 1.00 0.00 H ATOM 1112 N ASP B 25 68.046 117.522 9.815 1.00 8.65 N ATOM 1113 CA ASP B 25 69.141 116.741 10.383 1.00 5.59 C ATOM 1114 C ASP B 25 69.585 115.667 9.394 1.00 9.27 C ATOM 1115 O ASP B 25 68.949 114.615 9.283 1.00 7.37 O ATOM 1116 CB ASP B 25 68.705 116.126 11.710 1.00 6.49 C ATOM 1117 CG ASP B 25 69.846 115.474 12.447 1.00 9.71 C ATOM 1118 OD1 ASP B 25 70.961 115.447 11.881 1.00 5.79 O ATOM 1119 OD2 ASP B 25 69.637 115.005 13.591 1.00 8.14 O ATOM 1120 H ASP B 25 67.187 117.023 9.506 1.00 0.00 H ATOM 1121 N THR B 26 70.694 115.924 8.692 1.00 6.75 N ATOM 1122 CA THR B 26 71.278 114.927 7.805 1.00 7.28 C ATOM 1123 C THR B 26 71.876 113.744 8.558 1.00 7.53 C ATOM 1124 O THR B 26 72.165 112.720 7.932 1.00 6.32 O ATOM 1125 CB THR B 26 72.352 115.574 6.916 1.00 7.35 C ATOM 1126 OG1 THR B 26 73.399 116.115 7.727 1.00 6.23 O ATOM 1127 CG2 THR B 26 71.753 116.695 6.066 1.00 4.59 C ATOM 1128 HG1 THR B 26 73.811 115.389 8.260 1.00 0.00 H ATOM 1129 H THR B 26 71.149 116.855 8.781 1.00 0.00 H ATOM 1130 N GLY B 27 72.062 113.849 9.871 1.00 7.24 N ATOM 1131 CA GLY B 27 72.539 112.730 10.658 1.00 7.59 C ATOM 1132 C GLY B 27 71.468 111.771 11.118 1.00 10.47 C ATOM 1133 O GLY B 27 71.779 110.752 11.742 1.00 10.51 O ATOM 1134 H GLY B 27 71.861 114.754 10.343 1.00 0.00 H ATOM 1135 N ALA B 28 70.205 112.067 10.834 1.00 6.23 N ATOM 1136 CA ALA B 28 69.085 111.245 11.263 1.00 4.04 C ATOM 1137 C ALA B 28 68.577 110.433 10.079 1.00 6.97 C ATOM 1138 O ALA B 28 68.118 111.005 9.083 1.00 8.39 O ATOM 1139 CB ALA B 28 67.970 112.120 11.830 1.00 7.38 C ATOM 1140 H ALA B 28 70.008 112.925 10.280 1.00 0.00 H ATOM 1141 N ASP B 29 68.662 109.105 10.184 1.00 6.52 N ATOM 1142 CA ASP B 29 68.139 108.245 9.125 1.00 6.72 C ATOM 1143 C ASP B 29 66.649 108.486 8.917 1.00 7.63 C ATOM 1144 O ASP B 29 66.181 108.620 7.780 1.00 9.27 O ATOM 1145 CB ASP B 29 68.392 106.773 9.458 1.00 12.40 C ATOM 1146 CG ASP B 29 69.869 106.424 9.528 1.00 12.65 C ATOM 1147 OD1 ASP B 29 70.697 107.125 8.910 1.00 11.08 O ATOM 1148 OD2 ASP B 29 70.197 105.429 10.208 1.00 12.78 O ATOM 1149 H ASP B 29 69.103 108.680 11.025 1.00 0.00 H ATOM 1150 N ASP B 30 65.892 108.562 10.012 1.00 5.48 N ATOM 1151 CA ASP B 30 64.446 108.710 9.967 1.00 6.27 C ATOM 1152 C ASP B 30 63.993 109.861 10.851 1.00 5.62 C ATOM 1153 O ASP B 30 64.542 110.087 11.934 1.00 9.65 O ATOM 1154 CB ASP B 30 63.741 107.428 10.416 1.00 10.07 C ATOM 1155 CG ASP B 30 63.832 106.326 9.387 1.00 15.25 C ATOM 1156 OD1 ASP B 30 63.359 106.538 8.252 1.00 13.69 O ATOM 1157 OD2 ASP B 30 64.393 105.256 9.707 1.00 23.38 O ATOM 1158 H ASP B 30 66.357 108.513 10.941 1.00 0.00 H ATOM 1159 N THR B 31 62.967 110.559 10.373 1.00 5.17 N ATOM 1160 CA THR B 31 62.331 111.644 11.105 1.00 8.22 C ATOM 1161 C THR B 31 61.836 111.154 12.462 1.00 7.01 C ATOM 1162 O THR B 31 61.240 110.077 12.567 1.00 7.23 O ATOM 1163 CB THR B 31 61.162 112.180 10.266 1.00 7.25 C ATOM 1164 OG1 THR B 31 61.670 112.781 9.069 1.00 8.32 O ATOM 1165 CG2 THR B 31 60.318 113.198 11.024 1.00 6.66 C ATOM 1166 HG1 THR B 31 62.169 112.104 8.547 1.00 0.00 H ATOM 1167 H THR B 31 62.601 110.318 9.430 1.00 0.00 H ATOM 1168 N VAL B 32 62.079 111.946 13.507 1.00 6.54 N ATOM 1169 CA VAL B 32 61.594 111.623 14.846 1.00 8.23 C ATOM 1170 C VAL B 32 61.077 112.906 15.488 1.00 9.93 C ATOM 1171 O VAL B 32 61.807 113.899 15.568 1.00 6.58 O ATOM 1172 CB VAL B 32 62.676 110.968 15.728 1.00 12.10 C ATOM 1173 CG1 VAL B 32 63.909 111.865 15.880 1.00 15.13 C ATOM 1174 CG2 VAL B 32 62.100 110.600 17.087 1.00 9.83 C ATOM 1175 H VAL B 32 62.629 112.817 13.365 1.00 0.00 H ATOM 1176 N LEU B 33 59.822 112.885 15.940 1.00 6.37 N ATOM 1177 CA LEU B 33 59.181 114.036 16.554 1.00 6.54 C ATOM 1178 C LEU B 33 59.007 113.814 18.050 1.00 10.16 C ATOM 1179 O LEU B 33 58.877 112.680 18.521 1.00 9.25 O ATOM 1180 CB LEU B 33 57.813 114.314 15.926 1.00 9.21 C ATOM 1181 CG LEU B 33 57.775 114.645 14.430 1.00 11.53 C ATOM 1182 CD1 LEU B 33 56.356 114.999 14.021 1.00 14.48 C ATOM 1183 CD2 LEU B 33 58.733 115.771 14.086 1.00 8.99 C ATOM 1184 H LEU B 33 59.277 112.004 15.849 1.00 0.00 H ATOM 1185 N GLU B 34 58.981 114.920 18.789 1.00 7.21 N ATOM 1186 CA GLU B 34 58.722 114.864 20.216 1.00 7.36 C ATOM 1187 C GLU B 34 57.376 114.198 20.486 1.00 9.15 C ATOM 1188 O GLU B 34 56.504 114.108 19.617 1.00 9.71 O ATOM 1189 CB GLU B 34 58.745 116.270 20.814 1.00 8.64 C ATOM 1190 CG GLU B 34 60.132 116.861 20.913 1.00 12.45 C ATOM 1191 CD GLU B 34 60.124 118.366 21.096 1.00 20.85 C ATOM 1192 OE1 GLU B 34 61.192 118.990 20.930 1.00 13.32 O ATOM 1193 OE2 GLU B 34 59.057 118.929 21.403 1.00 13.84 O ATOM 1194 H GLU B 34 59.149 115.841 18.336 1.00 0.00 H ATOM 1195 N GLU B 35 57.222 113.727 21.719 1.00 7.58 N ATOM 1196 CA GLU B 35 56.012 113.028 22.131 1.00 12.72 C ATOM 1197 C GLU B 35 54.762 113.758 21.657 1.00 14.60 C ATOM 1198 O GLU B 35 54.605 114.959 21.884 1.00 11.85 O ATOM 1199 CB GLU B 35 55.988 112.895 23.653 1.00 14.37 C ATOM 1200 CG GLU B 35 54.928 111.954 24.149 1.00 21.11 C ATOM 1201 CD GLU B 35 55.249 110.526 23.794 1.00 23.58 C ATOM 1202 OE1 GLU B 35 56.359 110.075 24.148 1.00 21.00 O ATOM 1203 OE2 GLU B 35 54.411 109.865 23.142 1.00 23.49 O ATOM 1204 H GLU B 35 57.988 113.861 22.410 1.00 0.00 H ATOM 1205 N MET B 36 53.875 113.018 20.994 1.00 13.79 N ATOM 1206 CA MET B 36 52.580 113.529 20.564 1.00 17.86 C ATOM 1207 C MET B 36 51.646 112.341 20.393 1.00 23.53 C ATOM 1208 O MET B 36 52.093 111.226 20.114 1.00 22.23 O ATOM 1209 CB MET B 36 52.690 114.335 19.264 1.00 18.30 C ATOM 1210 CG MET B 36 53.220 113.543 18.067 1.00 15.35 C ATOM 1211 SD MET B 36 53.410 114.526 16.560 1.00 19.31 S ATOM 1212 CE MET B 36 51.735 115.107 16.312 1.00 20.67 C ATOM 1213 H MET B 36 54.118 112.031 20.773 1.00 0.00 H ATOM 1214 N ASN B 37 50.347 112.585 20.571 1.00 25.82 N ATOM 1215 CA ASN B 37 49.350 111.511 20.563 1.00 37.64 C ATOM 1216 C ASN B 37 48.757 111.389 19.165 1.00 33.98 C ATOM 1217 O ASN B 37 47.708 111.956 18.860 1.00 42.92 O ATOM 1218 CB ASN B 37 48.264 111.771 21.600 1.00 33.43 C ATOM 1219 CG ASN B 37 48.811 111.857 23.012 1.00 47.20 C ATOM 1220 OD1 ASN B 37 49.113 112.944 23.507 1.00 56.60 O ATOM 1221 ND2 ASN B 37 48.939 110.709 23.670 1.00 41.25 N ATOM 1222 HD22 ASN B 37 48.671 109.814 23.212 1.00 0.00 H ATOM 1223 HD21 ASN B 37 49.307 110.705 24.643 1.00 0.00 H ATOM 1224 H ASN B 37 50.033 113.565 20.720 1.00 0.00 H ATOM 1225 N LEU B 38 49.432 110.622 18.303 1.00 36.80 N ATOM 1226 CA LEU B 38 48.911 110.358 16.972 1.00 27.54 C ATOM 1227 C LEU B 38 47.909 109.202 17.007 1.00 34.51 C ATOM 1228 O LEU B 38 48.034 108.288 17.826 1.00 29.95 O ATOM 1229 CB LEU B 38 50.045 110.012 16.008 1.00 30.46 C ATOM 1230 CG LEU B 38 50.852 111.146 15.370 1.00 35.43 C ATOM 1231 CD1 LEU B 38 51.975 110.572 14.514 1.00 28.87 C ATOM 1232 CD2 LEU B 38 49.972 112.066 14.527 1.00 37.79 C ATOM 1233 H LEU B 38 50.342 110.208 18.589 1.00 0.00 H ATOM 1234 N PRO B 39 46.903 109.218 16.137 1.00 31.83 N ATOM 1235 CA PRO B 39 46.048 108.039 15.975 1.00 42.48 C ATOM 1236 C PRO B 39 46.666 107.050 14.995 1.00 34.71 C ATOM 1237 O PRO B 39 47.635 107.342 14.293 1.00 40.38 O ATOM 1238 CB PRO B 39 44.740 108.619 15.432 1.00 35.85 C ATOM 1239 CG PRO B 39 45.163 109.827 14.686 1.00 36.84 C ATOM 1240 CD PRO B 39 46.386 110.374 15.385 1.00 39.37 C ATOM 1241 N GLY B 40 46.077 105.861 14.957 1.00 39.63 N ATOM 1242 CA GLY B 40 46.549 104.801 14.093 1.00 39.17 C ATOM 1243 C GLY B 40 47.530 103.881 14.795 1.00 37.26 C ATOM 1244 O GLY B 40 47.995 104.131 15.910 1.00 26.31 O ATOM 1245 H GLY B 40 45.252 105.686 15.566 1.00 0.00 H ATOM 1246 N ARG B 41 47.851 102.788 14.115 1.00 38.50 N ATOM 1247 CA ARG B 41 48.766 101.809 14.671 1.00 31.74 C ATOM 1248 C ARG B 41 50.207 102.183 14.344 1.00 24.92 C ATOM 1249 O ARG B 41 50.487 103.025 13.488 1.00 20.51 O ATOM 1250 CB ARG B 41 48.435 100.409 14.156 1.00 37.87 C ATOM 1251 CG ARG B 41 47.425 99.678 15.030 1.00 41.74 C ATOM 1252 CD ARG B 41 47.219 98.246 14.587 1.00 36.43 C ATOM 1253 NE ARG B 41 46.770 98.154 13.195 1.00 34.20 N ATOM 1254 CZ ARG B 41 47.273 97.328 12.278 1.00 39.61 C ATOM 1255 NH1 ARG B 41 46.784 97.338 11.046 1.00 50.29 N ATOM 1256 NH2 ARG B 41 48.249 96.481 12.583 1.00 37.11 N ATOM 1257 HE ARG B 41 45.997 98.784 12.899 1.00 0.00 H ATOM 1258 HH12 ARG B 41 47.173 96.695 10.327 1.00 0.00 H ATOM 1259 HH11 ARG B 41 46.011 97.988 10.799 1.00 0.00 H ATOM 1260 HH22 ARG B 41 48.630 95.843 11.855 1.00 0.00 H ATOM 1261 HH21 ARG B 41 48.632 96.455 13.549 1.00 0.00 H ATOM 1262 H ARG B 41 47.442 102.631 13.172 1.00 0.00 H ATOM 1263 N TRP B 42 51.130 101.535 15.045 1.00 18.96 N ATOM 1264 CA TRP B 42 52.542 101.855 14.940 1.00 15.26 C ATOM 1265 C TRP B 42 53.347 100.606 15.257 1.00 18.57 C ATOM 1266 O TRP B 42 52.822 99.612 15.765 1.00 16.39 O ATOM 1267 CB TRP B 42 52.909 103.004 15.881 1.00 17.48 C ATOM 1268 CG TRP B 42 52.335 102.830 17.239 1.00 18.39 C ATOM 1269 CD1 TRP B 42 51.104 103.237 17.667 1.00 32.46 C ATOM 1270 CD2 TRP B 42 52.955 102.186 18.353 1.00 18.41 C ATOM 1271 NE1 TRP B 42 50.923 102.890 18.982 1.00 22.11 N ATOM 1272 CE2 TRP B 42 52.045 102.241 19.426 1.00 20.95 C ATOM 1273 CE3 TRP B 42 54.194 101.570 18.549 1.00 19.17 C ATOM 1274 CZ2 TRP B 42 52.336 101.710 20.679 1.00 24.71 C ATOM 1275 CZ3 TRP B 42 54.480 101.039 19.792 1.00 21.86 C ATOM 1276 CH2 TRP B 42 53.555 101.113 20.842 1.00 23.96 C ATOM 1277 HE1 TRP B 42 50.074 103.087 19.549 1.00 0.00 H ATOM 1278 H TRP B 42 50.832 100.775 15.689 1.00 0.00 H ATOM 1279 N LYS B 43 54.635 100.666 14.939 1.00 11.97 N ATOM 1280 CA LYS B 43 55.556 99.585 15.212 1.00 15.45 C ATOM 1281 C LYS B 43 56.587 100.062 16.226 1.00 14.78 C ATOM 1282 O LYS B 43 57.136 101.161 16.062 1.00 13.25 O ATOM 1283 CB LYS B 43 56.263 99.122 13.923 1.00 22.93 C ATOM 1284 H LYS B 43 54.996 101.524 14.475 1.00 0.00 H ATOM 1285 N PRO B 44 56.866 99.302 17.285 1.00 14.74 N ATOM 1286 CA PRO B 44 57.937 99.706 18.202 1.00 12.11 C ATOM 1287 C PRO B 44 59.287 99.708 17.506 1.00 11.98 C ATOM 1288 O PRO B 44 59.560 98.896 16.619 1.00 13.56 O ATOM 1289 CB PRO B 44 57.880 98.649 19.312 1.00 22.37 C ATOM 1290 CG PRO B 44 56.518 98.047 19.207 1.00 25.33 C ATOM 1291 CD PRO B 44 56.169 98.092 17.758 1.00 21.77 C ATOM 1292 N LYS B 45 60.141 100.636 17.926 1.00 9.01 N ATOM 1293 CA LYS B 45 61.465 100.778 17.347 1.00 8.43 C ATOM 1294 C LYS B 45 62.396 101.338 18.411 1.00 16.42 C ATOM 1295 O LYS B 45 61.958 101.935 19.398 1.00 12.03 O ATOM 1296 CB LYS B 45 61.428 101.685 16.109 1.00 16.34 C ATOM 1297 CG LYS B 45 62.713 101.741 15.301 1.00 22.64 C ATOM 1298 CD LYS B 45 62.499 102.550 14.027 1.00 32.30 C ATOM 1299 CE LYS B 45 63.795 102.786 13.272 1.00 29.22 C ATOM 1300 NZ LYS B 45 64.356 101.532 12.709 1.00 35.37 N ATOM 1301 HZ1 LYS B 45 64.550 100.863 13.481 1.00 0.00 H ATOM 1302 HZ2 LYS B 45 63.670 101.112 12.049 1.00 0.00 H ATOM 1303 HZ3 LYS B 45 65.239 101.745 12.203 1.00 0.00 H ATOM 1304 H LYS B 45 59.853 101.279 18.691 1.00 0.00 H ATOM 1305 N MET B 46 63.690 101.115 18.215 1.00 11.01 N ATOM 1306 CA MET B 46 64.713 101.702 19.069 1.00 10.62 C ATOM 1307 C MET B 46 65.716 102.414 18.176 1.00 15.26 C ATOM 1308 O MET B 46 66.144 101.863 17.158 1.00 15.57 O ATOM 1309 CB MET B 46 65.402 100.640 19.936 1.00 16.86 C ATOM 1310 CG MET B 46 64.542 100.153 21.114 1.00 15.88 C ATOM 1311 SD MET B 46 65.352 98.923 22.149 1.00 42.26 S ATOM 1312 CE MET B 46 66.419 99.978 23.127 1.00 35.58 C ATOM 1313 H MET B 46 63.982 100.502 17.427 1.00 0.00 H ATOM 1314 N ILE B 47 66.065 103.644 18.541 1.00 9.64 N ATOM 1315 CA ILE B 47 67.021 104.443 17.785 1.00 10.07 C ATOM 1316 C ILE B 47 68.228 104.720 18.666 1.00 8.65 C ATOM 1317 O ILE B 47 68.100 104.904 19.880 1.00 8.08 O ATOM 1318 CB ILE B 47 66.399 105.758 17.271 1.00 12.06 C ATOM 1319 CG1 ILE B 47 65.886 106.617 18.434 1.00 12.35 C ATOM 1320 CG2 ILE B 47 65.280 105.452 16.283 1.00 18.35 C ATOM 1321 CD1 ILE B 47 65.411 107.992 18.015 1.00 13.46 C ATOM 1322 H ILE B 47 65.640 104.051 19.398 1.00 0.00 H ATOM 1323 N GLY B 48 69.407 104.743 18.041 1.00 10.29 N ATOM 1324 CA GLY B 48 70.651 104.908 18.747 1.00 9.13 C ATOM 1325 C GLY B 48 71.161 106.331 18.636 1.00 9.88 C ATOM 1326 O GLY B 48 71.431 106.822 17.535 1.00 7.07 O ATOM 1327 H GLY B 48 69.428 104.638 17.007 1.00 0.00 H ATOM 1328 N GLY B 49 71.276 106.990 19.787 1.00 12.92 N ATOM 1329 CA GLY B 49 71.836 108.316 19.876 1.00 15.01 C ATOM 1330 C GLY B 49 73.227 108.317 20.482 1.00 13.70 C ATOM 1331 O GLY B 49 73.832 107.277 20.747 1.00 9.86 O ATOM 1332 H GLY B 49 70.948 106.529 20.659 1.00 0.00 H ATOM 1333 N VAL B 50 73.731 109.530 20.713 1.00 11.32 N ATOM 1334 CA VAL B 50 75.087 109.683 21.225 1.00 9.18 C ATOM 1335 C VAL B 50 75.224 109.051 22.605 1.00 14.29 C ATOM 1336 O VAL B 50 76.293 108.535 22.956 1.00 15.46 O ATOM 1337 CB VAL B 50 75.477 111.177 21.231 1.00 16.75 C ATOM 1338 CG1 VAL B 50 74.794 111.926 22.378 1.00 22.28 C ATOM 1339 CG2 VAL B 50 76.982 111.331 21.283 1.00 25.09 C ATOM 1340 H VAL B 50 73.152 110.373 20.526 1.00 0.00 H ATOM 1341 N GLY B 51 74.159 109.066 23.401 1.00 15.85 N ATOM 1342 CA GLY B 51 74.189 108.520 24.742 1.00 13.24 C ATOM 1343 C GLY B 51 73.586 107.142 24.907 1.00 13.93 C ATOM 1344 O GLY B 51 73.424 106.695 26.049 1.00 13.73 O ATOM 1345 H GLY B 51 73.274 109.484 23.049 1.00 0.00 H ATOM 1346 N GLY B 52 73.264 106.448 23.821 1.00 8.41 N ATOM 1347 CA GLY B 52 72.603 105.159 23.878 1.00 10.10 C ATOM 1348 C GLY B 52 71.282 105.172 23.135 1.00 13.85 C ATOM 1349 O GLY B 52 70.971 106.086 22.365 1.00 11.85 O ATOM 1350 H GLY B 52 73.496 106.847 22.889 1.00 0.00 H ATOM 1351 N PHE B 53 70.491 104.133 23.378 1.00 9.22 N ATOM 1352 CA PHE B 53 69.236 103.925 22.674 1.00 8.35 C ATOM 1353 C PHE B 53 68.053 104.412 23.498 1.00 10.37 C ATOM 1354 O PHE B 53 68.060 104.352 24.730 1.00 9.75 O ATOM 1355 CB PHE B 53 69.031 102.444 22.342 1.00 13.33 C ATOM 1356 CG PHE B 53 69.922 101.939 21.254 1.00 10.34 C ATOM 1357 CD1 PHE B 53 71.211 101.532 21.536 1.00 17.84 C ATOM 1358 CD2 PHE B 53 69.467 101.860 19.947 1.00 11.08 C ATOM 1359 CE1 PHE B 53 72.038 101.062 20.535 1.00 16.42 C ATOM 1360 CE2 PHE B 53 70.288 101.392 18.943 1.00 16.55 C ATOM 1361 CZ PHE B 53 71.578 100.992 19.239 1.00 9.67 C ATOM 1362 H PHE B 53 70.780 103.442 24.099 1.00 0.00 H ATOM 1363 N ILE B 54 67.023 104.884 22.793 1.00 9.82 N ATOM 1364 CA ILE B 54 65.712 105.119 23.379 1.00 14.57 C ATOM 1365 C ILE B 54 64.681 104.376 22.540 1.00 12.82 C ATOM 1366 O ILE B 54 64.931 104.005 21.391 1.00 14.55 O ATOM 1367 CB ILE B 54 65.358 106.618 23.470 1.00 9.36 C ATOM 1368 CG1 ILE B 54 65.281 107.250 22.071 1.00 16.13 C ATOM 1369 CG2 ILE B 54 66.384 107.340 24.332 1.00 13.76 C ATOM 1370 CD1 ILE B 54 64.730 108.662 22.065 1.00 15.32 C ATOM 1371 H ILE B 54 67.163 105.092 21.784 1.00 0.00 H ATOM 1372 N LYS B 55 63.512 104.161 23.137 1.00 8.38 N ATOM 1373 CA LYS B 55 62.402 103.503 22.462 1.00 8.86 C ATOM 1374 C LYS B 55 61.475 104.548 21.858 1.00 10.02 C ATOM 1375 O LYS B 55 61.168 105.560 22.493 1.00 11.98 O ATOM 1376 CB LYS B 55 61.624 102.620 23.439 1.00 18.92 C ATOM 1377 H LYS B 55 63.386 104.474 24.121 1.00 0.00 H ATOM 1378 N VAL B 56 61.031 104.297 20.624 1.00 8.45 N ATOM 1379 CA VAL B 56 60.126 105.194 19.917 1.00 9.44 C ATOM 1380 C VAL B 56 59.041 104.367 19.240 1.00 11.03 C ATOM 1381 O VAL B 56 59.137 103.143 19.127 1.00 11.04 O ATOM 1382 CB VAL B 56 60.863 106.069 18.880 1.00 8.74 C ATOM 1383 CG1 VAL B 56 61.928 106.911 19.561 1.00 10.55 C ATOM 1384 CG2 VAL B 56 61.490 105.214 17.783 1.00 11.35 C ATOM 1385 H VAL B 56 61.344 103.427 20.148 1.00 0.00 H ATOM 1386 N ARG B 57 57.994 105.058 18.795 1.00 11.28 N ATOM 1387 CA ARG B 57 56.893 104.451 18.061 1.00 8.18 C ATOM 1388 C ARG B 57 56.978 104.878 16.604 1.00 12.37 C ATOM 1389 O ARG B 57 57.069 106.074 16.308 1.00 10.12 O ATOM 1390 CB ARG B 57 55.544 104.864 18.653 1.00 12.04 C ATOM 1391 CG ARG B 57 55.438 104.628 20.155 1.00 20.49 C ATOM 1392 CD ARG B 57 54.039 104.905 20.686 1.00 16.28 C ATOM 1393 NE ARG B 57 53.493 106.181 20.223 1.00 38.79 N ATOM 1394 CZ ARG B 57 53.666 107.351 20.835 1.00 35.41 C ATOM 1395 NH1 ARG B 57 53.121 108.448 20.327 1.00 28.50 N ATOM 1396 NH2 ARG B 57 54.383 107.432 21.947 1.00 30.85 N ATOM 1397 HE ARG B 57 52.927 106.174 19.350 1.00 0.00 H ATOM 1398 HH12 ARG B 57 53.254 109.363 20.803 1.00 0.00 H ATOM 1399 HH11 ARG B 57 52.560 108.393 19.453 1.00 0.00 H ATOM 1400 HH22 ARG B 57 54.512 108.351 22.417 1.00 0.00 H ATOM 1401 HH21 ARG B 57 54.817 106.577 22.350 1.00 0.00 H ATOM 1402 H ARG B 57 57.961 106.081 18.981 1.00 0.00 H ATOM 1403 N GLN B 58 56.946 103.904 15.701 1.00 7.53 N ATOM 1404 CA GLN B 58 57.084 104.160 14.274 1.00 9.40 C ATOM 1405 C GLN B 58 55.708 104.217 13.625 1.00 13.23 C ATOM 1406 O GLN B 58 54.954 103.239 13.670 1.00 12.46 O ATOM 1407 CB GLN B 58 57.934 103.085 13.599 1.00 13.28 C ATOM 1408 CG GLN B 58 58.035 103.274 12.089 1.00 17.24 C ATOM 1409 CD GLN B 58 58.816 102.180 11.408 1.00 23.67 C ATOM 1410 OE1 GLN B 58 59.786 101.657 11.955 1.00 27.57 O ATOM 1411 NE2 GLN B 58 58.392 101.821 10.202 1.00 29.69 N ATOM 1412 HE22 GLN B 58 57.567 102.292 9.779 1.00 0.00 H ATOM 1413 HE21 GLN B 58 58.885 101.069 9.680 1.00 0.00 H ATOM 1414 H GLN B 58 56.818 102.924 16.025 1.00 0.00 H ATOM 1415 N TYR B 59 55.396 105.353 13.010 1.00 8.11 N ATOM 1416 CA TYR B 59 54.188 105.519 12.217 1.00 10.70 C ATOM 1417 C TYR B 59 54.572 105.584 10.746 1.00 18.25 C ATOM 1418 O TYR B 59 55.618 106.139 10.394 1.00 10.82 O ATOM 1419 CB TYR B 59 53.431 106.784 12.621 1.00 16.82 C ATOM 1420 CG TYR B 59 52.886 106.744 14.028 1.00 13.63 C ATOM 1421 CD1 TYR B 59 53.673 107.115 15.108 1.00 13.89 C ATOM 1422 CD2 TYR B 59 51.583 106.332 14.275 1.00 15.44 C ATOM 1423 CE1 TYR B 59 53.178 107.077 16.397 1.00 11.82 C ATOM 1424 CE2 TYR B 59 51.079 106.292 15.557 1.00 23.37 C ATOM 1425 CZ TYR B 59 51.880 106.668 16.616 1.00 21.35 C ATOM 1426 OH TYR B 59 51.379 106.630 17.896 1.00 16.43 O ATOM 1427 HH TYR B 59 50.594 107.230 17.960 1.00 0.00 H ATOM 1428 H TYR B 59 56.045 106.160 13.100 1.00 0.00 H ATOM 1429 N ASP B 60 53.730 105.015 9.892 1.00 10.81 N ATOM 1430 CA ASP B 60 53.993 104.964 8.464 1.00 19.06 C ATOM 1431 C ASP B 60 53.088 105.936 7.718 1.00 10.92 C ATOM 1432 O ASP B 60 51.958 106.207 8.134 1.00 14.14 O ATOM 1433 CB ASP B 60 53.792 103.547 7.922 1.00 20.59 C ATOM 1434 CG ASP B 60 54.825 102.570 8.446 1.00 32.43 C ATOM 1435 OD1 ASP B 60 55.814 103.016 9.068 1.00 33.36 O ATOM 1436 OD2 ASP B 60 54.644 101.353 8.235 1.00 31.53 O ATOM 1437 H ASP B 60 52.853 104.592 10.257 1.00 0.00 H ATOM 1438 N GLN B 61 53.612 106.466 6.614 1.00 14.10 N ATOM 1439 CA GLN B 61 52.852 107.322 5.706 1.00 16.27 C ATOM 1440 C GLN B 61 52.217 108.500 6.445 1.00 14.53 C ATOM 1441 O GLN B 61 51.017 108.762 6.345 1.00 15.54 O ATOM 1442 CB GLN B 61 51.796 106.509 4.953 1.00 25.97 C ATOM 1443 CG GLN B 61 52.386 105.381 4.116 1.00 26.97 C ATOM 1444 CD GLN B 61 53.517 105.851 3.216 1.00 32.77 C ATOM 1445 OE1 GLN B 61 54.672 105.460 3.394 1.00 42.92 O ATOM 1446 NE2 GLN B 61 53.190 106.699 2.248 1.00 41.43 N ATOM 1447 HE22 GLN B 61 52.202 107.002 2.134 1.00 0.00 H ATOM 1448 HE21 GLN B 61 53.922 107.060 1.603 1.00 0.00 H ATOM 1449 H GLN B 61 54.606 106.261 6.388 1.00 0.00 H ATOM 1450 N ILE B 62 53.048 109.231 7.177 1.00 12.14 N ATOM 1451 CA ILE B 62 52.637 110.457 7.848 1.00 9.97 C ATOM 1452 C ILE B 62 53.042 111.635 6.977 1.00 11.44 C ATOM 1453 O ILE B 62 54.174 111.691 6.482 1.00 10.02 O ATOM 1454 CB ILE B 62 53.270 110.562 9.245 1.00 8.72 C ATOM 1455 CG1 ILE B 62 52.876 109.353 10.102 1.00 11.21 C ATOM 1456 CG2 ILE B 62 52.868 111.870 9.923 1.00 12.67 C ATOM 1457 CD1 ILE B 62 51.380 109.199 10.331 1.00 17.28 C ATOM 1458 H ILE B 62 54.034 108.915 7.276 1.00 0.00 H ATOM 1459 N LEU B 63 52.122 112.576 6.799 1.00 9.40 N ATOM 1460 CA LEU B 63 52.354 113.757 5.983 1.00 9.31 C ATOM 1461 C LEU B 63 52.942 114.881 6.825 1.00 10.28 C ATOM 1462 O LEU B 63 52.412 115.209 7.890 1.00 14.06 O ATOM 1463 CB LEU B 63 51.044 114.216 5.339 1.00 11.18 C ATOM 1464 CG LEU B 63 51.045 115.575 4.629 1.00 18.23 C ATOM 1465 CD1 LEU B 63 51.897 115.523 3.379 1.00 17.98 C ATOM 1466 CD2 LEU B 63 49.620 116.011 4.305 1.00 23.23 C ATOM 1467 H LEU B 63 51.198 112.464 7.262 1.00 0.00 H ATOM 1468 N ILE B 64 54.029 115.474 6.341 1.00 6.13 N ATOM 1469 CA ILE B 64 54.615 116.662 6.953 1.00 10.61 C ATOM 1470 C ILE B 64 54.931 117.662 5.850 1.00 13.75 C ATOM 1471 O ILE B 64 55.503 117.295 4.816 1.00 10.63 O ATOM 1472 CB ILE B 64 55.881 116.337 7.768 1.00 11.06 C ATOM 1473 CG1 ILE B 64 55.525 115.404 8.932 1.00 10.58 C ATOM 1474 CG2 ILE B 64 56.531 117.639 8.286 1.00 10.03 C ATOM 1475 CD1 ILE B 64 56.698 114.981 9.772 1.00 10.89 C ATOM 1476 H ILE B 64 54.480 115.075 5.493 1.00 0.00 H ATOM 1477 N GLU B 65 54.559 118.920 6.070 1.00 9.95 N ATOM 1478 CA GLU B 65 54.849 119.997 5.135 1.00 10.43 C ATOM 1479 C GLU B 65 56.044 120.791 5.642 1.00 13.68 C ATOM 1480 O GLU B 65 56.081 121.198 6.808 1.00 13.14 O ATOM 1481 CB GLU B 65 53.633 120.905 4.951 1.00 11.97 C ATOM 1482 CG GLU B 65 53.861 122.029 3.959 1.00 19.04 C ATOM 1483 CD GLU B 65 52.629 122.353 3.139 1.00 32.19 C ATOM 1484 OE1 GLU B 65 52.788 122.820 1.992 1.00 20.55 O ATOM 1485 OE2 GLU B 65 51.505 122.134 3.638 1.00 24.01 O ATOM 1486 H GLU B 65 54.041 119.143 6.944 1.00 0.00 H ATOM 1487 N ILE B 66 57.015 121.004 4.762 1.00 8.15 N ATOM 1488 CA ILE B 66 58.286 121.632 5.104 1.00 9.83 C ATOM 1489 C ILE B 66 58.515 122.739 4.088 1.00 13.74 C ATOM 1490 O ILE B 66 58.848 122.460 2.930 1.00 13.83 O ATOM 1491 CB ILE B 66 59.454 120.634 5.089 1.00 11.68 C ATOM 1492 CG1 ILE B 66 59.171 119.449 6.015 1.00 13.10 C ATOM 1493 CG2 ILE B 66 60.766 121.330 5.486 1.00 17.13 C ATOM 1494 CD1 ILE B 66 60.129 118.287 5.831 1.00 26.92 C ATOM 1495 H ILE B 66 56.861 120.707 3.777 1.00 0.00 H ATOM 1496 N CYS B 67 58.323 123.987 4.513 1.00 17.43 N ATOM 1497 CA CYS B 67 58.594 125.155 3.678 1.00 17.18 C ATOM 1498 C CYS B 67 57.989 124.987 2.285 1.00 15.23 C ATOM 1499 O CYS B 67 58.667 125.108 1.262 1.00 14.24 O ATOM 1500 CB CYS B 67 60.098 125.421 3.598 1.00 20.17 C ATOM 1501 SG CYS B 67 60.887 125.700 5.211 1.00 23.17 S ATOM 1502 H CYS B 67 57.966 124.136 5.478 1.00 0.00 H ATOM 1503 N GLY B 68 56.690 124.691 2.255 1.00 15.36 N ATOM 1504 CA GLY B 68 55.945 124.615 1.018 1.00 13.90 C ATOM 1505 C GLY B 68 56.032 123.294 0.285 1.00 19.48 C ATOM 1506 O GLY B 68 55.351 123.128 -0.734 1.00 16.89 O ATOM 1507 H GLY B 68 56.195 124.509 3.151 1.00 0.00 H ATOM 1508 N HIS B 69 56.854 122.358 0.749 1.00 10.52 N ATOM 1509 CA HIS B 69 56.948 121.035 0.148 1.00 8.54 C ATOM 1510 C HIS B 69 56.293 120.014 1.066 1.00 11.87 C ATOM 1511 O HIS B 69 56.497 120.043 2.283 1.00 10.49 O ATOM 1512 CB HIS B 69 58.403 120.639 -0.105 1.00 10.57 C ATOM 1513 CG HIS B 69 59.131 121.561 -1.034 1.00 9.52 C ATOM 1514 ND1 HIS B 69 59.374 121.247 -2.354 1.00 11.59 N ATOM 1515 CD2 HIS B 69 59.679 122.783 -0.830 1.00 9.93 C ATOM 1516 CE1 HIS B 69 60.033 122.241 -2.926 1.00 14.29 C ATOM 1517 NE2 HIS B 69 60.231 123.184 -2.022 1.00 17.36 N ATOM 1518 H HIS B 69 57.452 122.579 1.571 1.00 0.00 H ATOM 1519 N LYS B 70 55.509 119.112 0.481 1.00 9.38 N ATOM 1520 CA LYS B 70 54.847 118.057 1.235 1.00 7.59 C ATOM 1521 C LYS B 70 55.646 116.765 1.119 1.00 10.08 C ATOM 1522 O LYS B 70 55.962 116.317 0.013 1.00 9.58 O ATOM 1523 CB LYS B 70 53.414 117.854 0.740 1.00 9.05 C ATOM 1524 CG LYS B 70 52.528 119.068 0.977 1.00 14.10 C ATOM 1525 CD LYS B 70 51.099 118.847 0.512 1.00 16.32 C ATOM 1526 CE LYS B 70 50.273 120.133 0.623 1.00 16.72 C ATOM 1527 NZ LYS B 70 48.822 119.875 0.438 1.00 33.96 N ATOM 1528 HZ1 LYS B 70 48.662 119.464 -0.504 1.00 0.00 H ATOM 1529 HZ2 LYS B 70 48.493 119.211 1.168 1.00 0.00 H ATOM 1530 HZ3 LYS B 70 48.299 120.770 0.520 1.00 0.00 H ATOM 1531 H LYS B 70 55.364 119.162 -0.548 1.00 0.00 H ATOM 1532 N ALA B 71 55.974 116.177 2.265 1.00 8.63 N ATOM 1533 CA ALA B 71 56.647 114.889 2.343 1.00 6.75 C ATOM 1534 C ALA B 71 55.769 113.914 3.111 1.00 12.36 C ATOM 1535 O ALA B 71 55.057 114.300 4.041 1.00 11.19 O ATOM 1536 CB ALA B 71 58.011 115.015 3.031 1.00 11.22 C ATOM 1537 H ALA B 71 55.737 116.663 3.153 1.00 0.00 H ATOM 1538 N ILE B 72 55.825 112.644 2.724 1.00 10.35 N ATOM 1539 CA ILE B 72 55.044 111.604 3.385 1.00 9.37 C ATOM 1540 C ILE B 72 55.912 110.363 3.532 1.00 11.27 C ATOM 1541 O ILE B 72 56.529 109.910 2.562 1.00 9.50 O ATOM 1542 CB ILE B 72 53.744 111.283 2.620 1.00 14.73 C ATOM 1543 CG1 ILE B 72 52.962 110.178 3.334 1.00 14.92 C ATOM 1544 CG2 ILE B 72 54.040 110.890 1.186 1.00 12.70 C ATOM 1545 CD1 ILE B 72 51.516 110.074 2.888 1.00 18.59 C ATOM 1546 H ILE B 72 56.442 112.384 1.928 1.00 0.00 H ATOM 1547 N GLY B 73 55.963 109.821 4.743 1.00 9.30 N ATOM 1548 CA GLY B 73 56.756 108.634 4.999 1.00 11.04 C ATOM 1549 C GLY B 73 56.796 108.313 6.479 1.00 13.09 C ATOM 1550 O GLY B 73 55.897 108.678 7.238 1.00 10.17 O ATOM 1551 H GLY B 73 55.426 110.255 5.521 1.00 0.00 H ATOM 1552 N THR B 74 57.860 107.619 6.867 1.00 9.37 N ATOM 1553 CA THR B 74 58.012 107.174 8.241 1.00 10.23 C ATOM 1554 C THR B 74 58.242 108.364 9.160 1.00 11.45 C ATOM 1555 O THR B 74 59.084 109.225 8.885 1.00 10.09 O ATOM 1556 CB THR B 74 59.176 106.191 8.343 1.00 11.63 C ATOM 1557 OG1 THR B 74 58.937 105.091 7.459 1.00 20.07 O ATOM 1558 CG2 THR B 74 59.309 105.667 9.757 1.00 16.25 C ATOM 1559 HG1 THR B 74 59.689 104.450 7.521 1.00 0.00 H ATOM 1560 H THR B 74 58.599 107.390 6.173 1.00 0.00 H ATOM 1561 N VAL B 75 57.485 108.411 10.252 1.00 10.24 N ATOM 1562 CA VAL B 75 57.660 109.416 11.292 1.00 8.43 C ATOM 1563 C VAL B 75 57.682 108.695 12.631 1.00 10.81 C ATOM 1564 O VAL B 75 56.695 108.057 13.015 1.00 10.32 O ATOM 1565 CB VAL B 75 56.554 110.481 11.261 1.00 9.59 C ATOM 1566 CG1 VAL B 75 56.626 111.386 12.497 1.00 10.09 C ATOM 1567 CG2 VAL B 75 56.665 111.310 9.990 1.00 13.58 C ATOM 1568 H VAL B 75 56.736 107.700 10.369 1.00 0.00 H ATOM 1569 N LEU B 76 58.811 108.774 13.323 1.00 9.17 N ATOM 1570 CA LEU B 76 58.947 108.212 14.655 1.00 9.06 C ATOM 1571 C LEU B 76 58.500 109.233 15.691 1.00 7.17 C ATOM 1572 O LEU B 76 58.593 110.445 15.475 1.00 10.70 O ATOM 1573 CB LEU B 76 60.396 107.800 14.918 1.00 11.74 C ATOM 1574 CG LEU B 76 61.065 107.014 13.788 1.00 10.97 C ATOM 1575 CD1 LEU B 76 62.519 106.774 14.110 1.00 9.46 C ATOM 1576 CD2 LEU B 76 60.343 105.693 13.533 1.00 11.98 C ATOM 1577 H LEU B 76 59.628 109.256 12.896 1.00 0.00 H ATOM 1578 N VAL B 77 58.003 108.734 16.820 1.00 5.42 N ATOM 1579 CA VAL B 77 57.540 109.579 17.912 1.00 3.58 C ATOM 1580 C VAL B 77 58.088 109.009 19.207 1.00 6.97 C ATOM 1581 O VAL B 77 57.934 107.814 19.477 1.00 9.86 O ATOM 1582 CB VAL B 77 56.002 109.668 17.966 1.00 7.77 C ATOM 1583 CG1 VAL B 77 55.555 110.525 19.149 1.00 12.70 C ATOM 1584 CG2 VAL B 77 55.459 110.238 16.660 1.00 9.86 C ATOM 1585 H VAL B 77 57.943 107.701 16.927 1.00 0.00 H ATOM 1586 N GLY B 78 58.736 109.854 20.002 1.00 10.97 N ATOM 1587 CA GLY B 78 59.326 109.404 21.237 1.00 13.19 C ATOM 1588 C GLY B 78 59.844 110.539 22.092 1.00 9.32 C ATOM 1589 O GLY B 78 59.696 111.720 21.766 1.00 7.95 O ATOM 1590 H GLY B 78 58.818 110.854 19.729 1.00 0.00 H ATOM 1591 N PRO B 79 60.472 110.195 23.204 1.00 7.96 N ATOM 1592 CA PRO B 79 60.905 111.187 24.197 1.00 9.37 C ATOM 1593 C PRO B 79 62.181 111.932 23.801 1.00 15.85 C ATOM 1594 O PRO B 79 63.137 112.020 24.575 1.00 14.41 O ATOM 1595 CB PRO B 79 61.101 110.339 25.455 1.00 11.10 C ATOM 1596 CG PRO B 79 61.523 109.006 24.933 1.00 15.30 C ATOM 1597 CD PRO B 79 60.792 108.819 23.622 1.00 8.90 C ATOM 1598 N THR B 80 62.194 112.476 22.580 1.00 11.96 N ATOM 1599 CA THR B 80 63.342 113.227 22.103 1.00 9.19 C ATOM 1600 C THR B 80 63.291 114.659 22.633 1.00 9.79 C ATOM 1601 O THR B 80 62.208 115.201 22.872 1.00 13.84 O ATOM 1602 CB THR B 80 63.373 113.246 20.576 1.00 10.98 C ATOM 1603 OG1 THR B 80 62.106 113.701 20.080 1.00 11.12 O ATOM 1604 CG2 THR B 80 63.660 111.855 20.032 1.00 18.45 C ATOM 1605 HG1 THR B 80 61.929 114.614 20.419 1.00 0.00 H ATOM 1606 H THR B 80 61.367 112.359 21.960 1.00 0.00 H ATOM 1607 N PRO B 81 64.450 115.296 22.832 1.00 14.89 N ATOM 1608 CA PRO B 81 64.453 116.692 23.287 1.00 14.00 C ATOM 1609 C PRO B 81 64.183 117.695 22.183 1.00 14.22 C ATOM 1610 O PRO B 81 64.026 118.887 22.477 1.00 13.33 O ATOM 1611 CB PRO B 81 65.870 116.868 23.843 1.00 11.99 C ATOM 1612 CG PRO B 81 66.696 115.965 22.989 1.00 10.80 C ATOM 1613 CD PRO B 81 65.818 114.764 22.696 1.00 12.88 C ATOM 1614 N VAL B 82 64.145 117.259 20.925 1.00 9.07 N ATOM 1615 CA VAL B 82 63.915 118.153 19.800 1.00 10.83 C ATOM 1616 C VAL B 82 63.159 117.376 18.733 1.00 9.63 C ATOM 1617 O VAL B 82 63.237 116.146 18.666 1.00 7.85 O ATOM 1618 CB VAL B 82 65.236 118.733 19.236 1.00 13.32 C ATOM 1619 CG1 VAL B 82 66.115 119.288 20.352 1.00 26.50 C ATOM 1620 CG2 VAL B 82 65.997 117.700 18.436 1.00 18.35 C ATOM 1621 H VAL B 82 64.284 116.245 20.740 1.00 0.00 H ATOM 1622 N ASN B 83 62.406 118.105 17.909 1.00 6.50 N ATOM 1623 CA ASN B 83 61.824 117.540 16.699 1.00 8.70 C ATOM 1624 C ASN B 83 62.888 117.477 15.613 1.00 7.45 C ATOM 1625 O ASN B 83 63.660 118.423 15.431 1.00 6.69 O ATOM 1626 CB ASN B 83 60.651 118.391 16.212 1.00 8.28 C ATOM 1627 CG ASN B 83 59.503 118.421 17.192 1.00 7.81 C ATOM 1628 OD1 ASN B 83 59.016 117.381 17.627 1.00 7.96 O ATOM 1629 ND2 ASN B 83 59.067 119.623 17.552 1.00 9.38 N ATOM 1630 HD22 ASN B 83 59.511 120.477 17.157 1.00 0.00 H ATOM 1631 HD21 ASN B 83 58.282 119.710 18.229 1.00 0.00 H ATOM 1632 H ASN B 83 62.229 119.104 18.136 1.00 0.00 H ATOM 1633 N ILE B 84 62.920 116.364 14.884 1.00 5.52 N ATOM 1634 CA ILE B 84 63.978 116.091 13.918 1.00 3.21 C ATOM 1635 C ILE B 84 63.346 115.650 12.608 1.00 6.00 C ATOM 1636 O ILE B 84 62.597 114.665 12.579 1.00 8.89 O ATOM 1637 CB ILE B 84 64.950 115.014 14.425 1.00 8.54 C ATOM 1638 CG1 ILE B 84 65.758 115.558 15.601 1.00 8.05 C ATOM 1639 CG2 ILE B 84 65.873 114.534 13.297 1.00 8.50 C ATOM 1640 CD1 ILE B 84 66.595 114.526 16.295 1.00 8.38 C ATOM 1641 H ILE B 84 62.162 115.663 15.008 1.00 0.00 H ATOM 1642 N ILE B 85 63.670 116.352 11.526 1.00 4.79 N ATOM 1643 CA ILE B 85 63.365 115.886 10.177 1.00 6.94 C ATOM 1644 C ILE B 85 64.591 115.154 9.642 1.00 8.27 C ATOM 1645 O ILE B 85 65.660 115.753 9.490 1.00 6.84 O ATOM 1646 CB ILE B 85 62.979 117.049 9.252 1.00 9.94 C ATOM 1647 CG1 ILE B 85 61.807 117.846 9.836 1.00 10.81 C ATOM 1648 CG2 ILE B 85 62.644 116.521 7.857 1.00 6.40 C ATOM 1649 CD1 ILE B 85 60.556 117.026 10.081 1.00 10.18 C ATOM 1650 H ILE B 85 64.157 117.263 11.645 1.00 0.00 H ATOM 1651 N GLY B 86 64.428 113.865 9.335 1.00 5.40 N ATOM 1652 CA GLY B 86 65.522 113.024 8.902 1.00 6.13 C ATOM 1653 C GLY B 86 65.590 112.850 7.388 1.00 8.42 C ATOM 1654 O GLY B 86 64.774 113.360 6.625 1.00 7.80 O ATOM 1655 H GLY B 86 63.478 113.450 9.410 1.00 0.00 H ATOM 1656 N ARG B 87 66.603 112.086 6.963 1.00 9.11 N ATOM 1657 CA ARG B 87 66.870 111.924 5.537 1.00 6.58 C ATOM 1658 C ARG B 87 65.674 111.346 4.792 1.00 9.69 C ATOM 1659 O ARG B 87 65.488 111.635 3.605 1.00 7.90 O ATOM 1660 CB ARG B 87 68.093 111.029 5.324 1.00 8.32 C ATOM 1661 CG ARG B 87 69.398 111.618 5.839 1.00 7.65 C ATOM 1662 CD ARG B 87 70.605 110.780 5.411 1.00 11.48 C ATOM 1663 NE ARG B 87 70.620 109.449 6.021 1.00 8.68 N ATOM 1664 CZ ARG B 87 70.290 108.309 5.413 1.00 9.91 C ATOM 1665 NH1 ARG B 87 69.910 108.292 4.144 1.00 7.55 N ATOM 1666 NH2 ARG B 87 70.344 107.167 6.090 1.00 12.31 N ATOM 1667 HE ARG B 87 70.914 109.387 7.017 1.00 0.00 H ATOM 1668 HH12 ARG B 87 69.657 107.392 3.689 1.00 0.00 H ATOM 1669 HH11 ARG B 87 69.865 109.179 3.603 1.00 0.00 H ATOM 1670 HH22 ARG B 87 70.088 106.273 5.624 1.00 0.00 H ATOM 1671 HH21 ARG B 87 70.642 107.167 7.086 1.00 0.00 H ATOM 1672 H ARG B 87 67.207 111.602 7.657 1.00 0.00 H ATOM 1673 N ASN B 88 64.851 110.534 5.457 1.00 9.15 N ATOM 1674 CA ASN B 88 63.768 109.866 4.744 1.00 10.14 C ATOM 1675 C ASN B 88 62.787 110.869 4.146 1.00 12.39 C ATOM 1676 O ASN B 88 62.172 110.590 3.110 1.00 10.18 O ATOM 1677 CB ASN B 88 63.051 108.883 5.672 1.00 9.37 C ATOM 1678 CG ASN B 88 62.186 109.571 6.707 1.00 10.47 C ATOM 1679 OD1 ASN B 88 62.641 110.449 7.438 1.00 9.17 O ATOM 1680 ND2 ASN B 88 60.924 109.168 6.775 1.00 9.69 N ATOM 1681 HD22 ASN B 88 60.581 108.422 6.137 1.00 0.00 H ATOM 1682 HD21 ASN B 88 60.277 109.598 7.466 1.00 0.00 H ATOM 1683 H ASN B 88 64.981 110.378 6.477 1.00 0.00 H ATOM 1684 N LEU B 89 62.643 112.043 4.760 1.00 6.48 N ATOM 1685 CA LEU B 89 61.787 113.092 4.217 1.00 6.99 C ATOM 1686 C LEU B 89 62.567 114.200 3.523 1.00 9.43 C ATOM 1687 O LEU B 89 62.047 114.810 2.582 1.00 6.96 O ATOM 1688 CB LEU B 89 60.919 113.697 5.330 1.00 10.91 C ATOM 1689 CG LEU B 89 60.013 112.711 6.075 1.00 9.46 C ATOM 1690 CD1 LEU B 89 59.086 113.434 7.059 1.00 11.24 C ATOM 1691 CD2 LEU B 89 59.198 111.850 5.117 1.00 5.96 C ATOM 1692 H LEU B 89 63.154 112.216 5.649 1.00 0.00 H ATOM 1693 N LEU B 90 63.807 114.461 3.942 1.00 11.70 N ATOM 1694 CA LEU B 90 64.605 115.489 3.278 1.00 7.39 C ATOM 1695 C LEU B 90 64.801 115.168 1.801 1.00 8.13 C ATOM 1696 O LEU B 90 64.800 116.072 0.956 1.00 11.46 O ATOM 1697 CB LEU B 90 65.957 115.635 3.975 1.00 4.06 C ATOM 1698 CG LEU B 90 65.950 116.111 5.429 1.00 8.72 C ATOM 1699 CD1 LEU B 90 67.375 116.127 5.966 1.00 10.15 C ATOM 1700 CD2 LEU B 90 65.309 117.483 5.561 1.00 13.41 C ATOM 1701 H LEU B 90 64.206 113.931 4.743 1.00 0.00 H ATOM 1702 N THR B 91 64.975 113.888 1.468 1.00 7.80 N ATOM 1703 CA THR B 91 65.156 113.512 0.069 1.00 8.70 C ATOM 1704 C THR B 91 63.933 113.861 -0.763 1.00 12.52 C ATOM 1705 O THR B 91 64.059 114.195 -1.945 1.00 10.17 O ATOM 1706 CB THR B 91 65.439 112.017 -0.051 1.00 12.81 C ATOM 1707 OG1 THR B 91 64.350 111.282 0.519 1.00 9.56 O ATOM 1708 CG2 THR B 91 66.732 111.659 0.658 1.00 12.84 C ATOM 1709 HG1 THR B 91 64.532 110.312 0.442 1.00 0.00 H ATOM 1710 H THR B 91 64.982 113.156 2.207 1.00 0.00 H ATOM 1711 N GLN B 92 62.742 113.788 -0.167 1.00 7.20 N ATOM 1712 CA GLN B 92 61.517 114.002 -0.926 1.00 14.59 C ATOM 1713 C GLN B 92 61.353 115.456 -1.344 1.00 8.13 C ATOM 1714 O GLN B 92 60.681 115.738 -2.344 1.00 12.73 O ATOM 1715 CB GLN B 92 60.315 113.555 -0.101 1.00 10.19 C ATOM 1716 CG GLN B 92 60.284 112.062 0.171 1.00 10.23 C ATOM 1717 CD GLN B 92 59.046 111.648 0.926 1.00 13.74 C ATOM 1718 OE1 GLN B 92 58.053 112.372 0.941 1.00 11.57 O ATOM 1719 NE2 GLN B 92 59.095 110.483 1.561 1.00 12.77 N ATOM 1720 HE22 GLN B 92 59.958 109.904 1.520 1.00 0.00 H ATOM 1721 HE21 GLN B 92 58.270 110.149 2.100 1.00 0.00 H ATOM 1722 H GLN B 92 62.687 113.576 0.850 1.00 0.00 H ATOM 1723 N ILE B 93 61.942 116.389 -0.598 1.00 9.87 N ATOM 1724 CA ILE B 93 61.800 117.811 -0.885 1.00 9.35 C ATOM 1725 C ILE B 93 62.986 118.356 -1.676 1.00 9.97 C ATOM 1726 O ILE B 93 63.051 119.563 -1.930 1.00 14.28 O ATOM 1727 CB ILE B 93 61.589 118.617 0.407 1.00 10.60 C ATOM 1728 CG1 ILE B 93 62.819 118.532 1.320 1.00 13.33 C ATOM 1729 CG2 ILE B 93 60.341 118.107 1.145 1.00 13.23 C ATOM 1730 CD1 ILE B 93 62.774 119.490 2.494 1.00 14.64 C ATOM 1731 H ILE B 93 62.521 116.094 0.214 1.00 0.00 H ATOM 1732 N GLY B 94 63.916 117.493 -2.081 1.00 12.20 N ATOM 1733 CA GLY B 94 65.052 117.917 -2.874 1.00 10.25 C ATOM 1734 C GLY B 94 66.173 118.554 -2.083 1.00 13.45 C ATOM 1735 O GLY B 94 66.881 119.415 -2.610 1.00 14.29 O ATOM 1736 H GLY B 94 63.825 116.490 -1.822 1.00 0.00 H ATOM 1737 N CYS B 95 66.371 118.141 -0.835 1.00 10.03 N ATOM 1738 CA CYS B 95 67.361 118.758 0.040 1.00 10.64 C ATOM 1739 C CYS B 95 68.739 118.151 -0.195 1.00 14.23 C ATOM 1740 O CYS B 95 68.892 116.927 -0.184 1.00 12.59 O ATOM 1741 CB CYS B 95 66.952 118.591 1.503 1.00 13.28 C ATOM 1742 SG CYS B 95 67.939 119.566 2.650 1.00 15.13 S ATOM 1743 H CYS B 95 65.801 117.351 -0.470 1.00 0.00 H ATOM 1744 N THR B 96 69.738 119.013 -0.396 1.00 7.54 N ATOM 1745 CA THR B 96 71.120 118.589 -0.571 1.00 8.93 C ATOM 1746 C THR B 96 72.026 119.340 0.398 1.00 11.82 C ATOM 1747 O THR B 96 71.688 120.419 0.893 1.00 11.41 O ATOM 1748 CB THR B 96 71.620 118.825 -2.012 1.00 7.24 C ATOM 1749 OG1 THR B 96 71.553 120.222 -2.330 1.00 10.19 O ATOM 1750 CG2 THR B 96 70.789 118.037 -3.012 1.00 14.26 C ATOM 1751 HG1 THR B 96 70.616 120.532 -2.254 1.00 0.00 H ATOM 1752 H THR B 96 69.520 120.029 -0.429 1.00 0.00 H ATOM 1753 N LEU B 97 73.183 118.739 0.671 1.00 11.09 N ATOM 1754 CA LEU B 97 74.278 119.412 1.358 1.00 11.89 C ATOM 1755 C LEU B 97 75.229 119.972 0.310 1.00 12.10 C ATOM 1756 O LEU B 97 75.572 119.278 -0.650 1.00 15.29 O ATOM 1757 CB LEU B 97 75.025 118.447 2.282 1.00 11.67 C ATOM 1758 CG LEU B 97 74.394 118.095 3.627 1.00 15.49 C ATOM 1759 CD1 LEU B 97 75.035 116.834 4.183 1.00 12.83 C ATOM 1760 CD2 LEU B 97 74.556 119.244 4.612 1.00 11.79 C ATOM 1761 H LEU B 97 73.310 117.748 0.382 1.00 0.00 H ATOM 1762 N ASN B 98 75.655 121.219 0.495 1.00 11.71 N ATOM 1763 CA ASN B 98 76.457 121.912 -0.503 1.00 18.04 C ATOM 1764 C ASN B 98 77.634 122.609 0.155 1.00 15.63 C ATOM 1765 O ASN B 98 77.453 123.376 1.106 1.00 14.45 O ATOM 1766 CB ASN B 98 75.610 122.930 -1.267 1.00 16.63 C ATOM 1767 CG ASN B 98 74.546 122.273 -2.114 1.00 21.30 C ATOM 1768 OD1 ASN B 98 74.737 122.055 -3.308 1.00 28.23 O ATOM 1769 ND2 ASN B 98 73.420 121.944 -1.498 1.00 18.50 N ATOM 1770 HD22 ASN B 98 73.303 122.148 -0.485 1.00 0.00 H ATOM 1771 HD21 ASN B 98 72.654 121.482 -2.027 1.00 0.00 H ATOM 1772 H ASN B 98 75.408 121.712 1.377 1.00 0.00 H ATOM 1773 N PHE B 99 78.831 122.341 -0.356 1.00 13.07 N ATOM 1774 CA PHE B 99 80.027 123.086 0.032 1.00 13.69 C ATOM 1775 C PHE B 99 81.070 123.003 -1.076 1.00 25.45 C ATOM 1776 O PHE B 99 82.152 123.585 -0.971 1.00 18.77 O ATOM 1777 CB PHE B 99 80.606 122.571 1.359 1.00 17.74 C ATOM 1778 CG PHE B 99 81.015 121.127 1.341 1.00 16.72 C ATOM 1779 CD1 PHE B 99 80.098 120.130 1.630 1.00 20.36 C ATOM 1780 CD2 PHE B 99 82.325 120.768 1.077 1.00 25.04 C ATOM 1781 CE1 PHE B 99 80.472 118.802 1.630 1.00 17.98 C ATOM 1782 CE2 PHE B 99 82.707 119.437 1.078 1.00 20.64 C ATOM 1783 CZ PHE B 99 81.782 118.455 1.355 1.00 23.79 C ATOM 1784 OXT PHE B 99 80.845 122.359 -2.102 1.00 17.47 O ATOM 1785 H PHE B 99 78.920 121.576 -1.055 1.00 0.00 H TER 1786 PHE B 99 HETATM 1787 O HOH 1 48.796 107.363 12.249 1.00 38.72 O HETATM 1788 O HOH 2 57.265 125.211 6.803 1.00 19.83 O HETATM 1789 O HOH 3 55.782 105.309 5.651 1.00 22.35 O HETATM 1790 O HOH 4 60.882 121.436 21.581 1.00 26.39 O HETATM 1791 O HOH 5 48.702 105.823 17.957 1.00 24.27 O HETATM 1792 O HOH 6 51.232 117.544 18.781 1.00 21.56 O HETATM 1793 O HOH 7 72.150 110.122 8.109 1.00 9.34 O HETATM 1794 O HOH 8 49.618 115.092 22.117 1.00 28.28 O HETATM 1795 O HOH 9 50.052 116.335 8.099 1.00 19.67 O HETATM 1796 O HOH 10 70.593 127.581 10.765 1.00 18.93 O HETATM 1797 O HOH 11 66.411 114.690 -3.010 1.00 11.44 O HETATM 1798 O HOH 12 68.585 114.500 -1.150 1.00 6.72 O HETATM 1799 O HOH 13 50.282 119.861 4.295 1.00 26.23 O HETATM 1800 O HOH 14 66.581 127.581 9.602 1.00 36.07 O HETATM 1801 O HOH 15 58.438 96.762 15.422 1.00 28.81 O HETATM 1802 O HOH 16 74.373 107.666 28.384 1.00 11.09 O HETATM 1803 O HOH 17 56.159 116.716 18.381 1.00 9.07 O HETATM 1804 O HOH 18 69.232 121.090 -3.426 1.00 13.71 O HETATM 1805 O HOH 19 72.748 108.417 10.145 1.00 18.40 O HETATM 1806 O HOH 20 61.891 125.341 -1.985 1.00 20.14 O HETATM 1807 O HOH 21 61.249 129.029 12.247 1.00 26.92 O HETATM 1808 O HOH 22 72.696 104.352 27.229 1.00 21.06 O HETATM 1809 O HOH 23 54.055 117.425 20.867 1.00 28.80 O HETATM 1810 O HOH 24 64.543 108.717 1.426 1.00 21.54 O HETATM 1811 O HOH 25 68.131 128.063 15.095 1.00 24.14 O HETATM 1812 O HOH 26 51.790 103.244 11.099 1.00 27.91 O HETATM 1813 O HOH 27 56.644 107.731 0.911 1.00 27.73 O HETATM 1814 O HOH 28 61.421 108.275 1.844 1.00 30.65 O HETATM 1815 O HOH 29 49.025 107.247 7.478 1.00 28.70 O HETATM 1816 O HOH 30 52.033 122.488 17.545 1.00 25.88 O HETATM 1817 O HOH 31 70.720 130.542 7.044 1.00 19.72 O HETATM 1818 O HOH 32 50.111 124.965 15.593 1.00 17.48 O HETATM 1819 O HOH 33 70.417 131.795 4.486 1.00 20.66 O HETATM 1820 O HOH 34 56.831 120.044 19.144 1.00 23.45 O HETATM 1821 O HOH 35 49.559 117.109 14.713 1.00 28.07 O HETATM 1822 O HOH 36 59.580 105.920 24.752 1.00 23.34 O HETATM 1823 O HOH 37 53.490 120.930 19.061 1.00 19.56 O HETATM 1824 O HOH 38 72.481 129.838 10.693 1.00 12.65 O HETATM 1825 O HOH 39 60.746 126.607 0.130 1.00 30.78 O HETATM 1826 O HOH 40 72.759 132.166 3.043 1.00 20.40 O HETATM 1827 O HOH 41 70.313 108.148 12.274 1.00 12.58 O HETATM 1828 O HOH 42 62.373 121.052 18.151 1.00 12.68 O HETATM 1829 O HOH 43 48.497 119.360 -2.340 1.00 16.20 O HETATM 1830 O HOH 44 55.193 124.917 4.671 1.00 21.78 O HETATM 1831 O HOH 45 49.490 112.206 7.834 1.00 18.34 O HETATM 1832 O HOH 46 71.509 102.454 25.448 1.00 22.26 O HETATM 1833 O HOH 47 59.614 114.246 23.591 1.00 12.06 O HETATM 1834 O HOH 48 65.989 111.987 24.803 1.00 20.11 O HETATM 1835 O HOH 49 66.707 107.097 5.410 1.00 18.64 O HETATM 1836 O HOH 50 67.086 123.061 19.309 1.00 18.99 O HETATM 1837 O HOH 51 69.391 104.214 15.201 1.00 11.74 O HETATM 1838 O HOH 52 47.945 122.608 0.814 1.00 32.73 O HETATM 1839 O HOH 53 56.056 116.946 23.414 1.00 21.70 O HETATM 1840 O HOH 54 50.725 118.883 6.991 1.00 23.00 O HETATM 1841 O HOH 55 45.154 123.672 11.572 1.00 29.44 O HETATM 1842 O HOH 56 62.816 112.956 -4.286 1.00 23.58 O HETATM 1843 O HOH 57 61.929 103.229 10.706 1.00 32.94 O HETATM 1844 O HOH 58 61.099 103.102 7.328 1.00 31.62 O HETATM 1845 O HOH 59 46.288 121.342 0.771 1.00 37.53 O HETATM 1846 O HOH 60 66.823 101.834 25.636 1.00 28.79 O HETATM 1847 O HOH 61 68.974 105.250 4.318 1.00 24.73 O HETATM 1848 O HOH 62 59.921 107.106 4.818 1.00 12.00 O HETATM 1849 O HOH 63 48.632 119.720 7.951 1.00 29.89 O HETATM 1850 O HOH 64 53.768 101.588 11.514 1.00 26.85 O HETATM 1851 O HOH 65 60.772 128.233 9.092 1.00 27.63 O HETATM 1852 O HOH 66 77.380 122.992 -4.328 1.00 33.99 O HETATM 1853 O HOH 67 57.999 122.681 18.337 1.00 19.01 O HETATM 1854 O HOH 68 45.665 116.566 14.170 1.00 28.29 O HETATM 1855 O HOH 69 50.107 108.316 20.245 1.00 32.71 O HETATM 1856 O HOH 70 62.973 102.796 8.657 1.00 31.51 O HETATM 1857 O HOH 71 76.619 105.805 24.334 1.00 29.73 O HETATM 1858 O HOH 72 64.104 121.913 21.891 1.00 27.09 O HETATM 1859 O HOH 73 62.469 110.574 -1.831 1.00 23.48 O HETATM 1860 O HOH 74 63.240 105.279 26.021 1.00 19.03 O HETATM 1861 O HOH 75 71.637 127.426 17.723 1.00 16.55 O HETATM 1862 O HOH 76 70.500 104.056 6.325 1.00 37.23 O HETATM 1863 O HOH 77 47.259 93.731 11.360 1.00 25.54 O HETATM 1864 O HOH 78 46.147 122.379 6.724 1.00 33.87 O HETATM 1865 O HOH 79 78.846 128.317 14.913 1.00 28.56 O HETATM 1866 O HOH 80 75.962 129.044 17.748 1.00 42.12 O HETATM 1867 O HOH 81 59.405 107.342 2.438 1.00 35.36 O HETATM 1868 O HOH 82 60.786 108.662 -0.619 1.00 41.39 O HETATM 1869 O HOH 83 57.876 102.205 22.055 1.00 33.83 O HETATM 1870 O HOH 84 46.323 120.685 -1.621 1.00 30.38 O HETATM 1871 O HOH 85 70.933 106.370 14.259 1.00 25.52 O HETATM 1872 O HOH 86 53.056 121.413 -2.479 1.00 30.04 O HETATM 1873 O HOH 87 47.414 123.803 15.604 1.00 31.31 O HETATM 1874 O HOH 88 70.863 125.514 21.068 1.00 35.47 O HETATM 1875 O HOH 89 50.652 107.172 22.539 1.00 46.57 O HETATM 1876 O HOH 90 49.215 105.314 10.915 1.00 40.75 O HETATM 1877 O HOH 91 59.977 118.904 24.970 1.00 23.15 O HETATM 1878 O HOH 92 63.356 120.400 25.792 1.00 29.29 O HETATM 1879 O HOH 93 67.602 104.672 6.147 1.00 32.77 O HETATM 1880 O HOH 94 46.741 104.297 10.838 1.00 33.26 O HETATM 1881 O HOH 95 49.933 123.687 18.416 1.00 38.47 O HETATM 1882 O HOH 96 75.681 103.598 25.936 1.00 34.29 O HETATM 1883 O HOH 97 58.349 108.520 -1.802 1.00 33.59 O HETATM 1884 O HOH 98 75.349 126.413 -3.046 1.00 36.76 O HETATM 1885 O HOH 99 69.226 127.736 17.887 1.00 27.36 O HETATM 1886 O HOH 100 65.601 129.199 14.558 1.00 35.65 O HETATM 1887 O HOH 101 75.051 133.293 3.679 1.00 27.56 O HETATM 1888 O HOH 102 61.393 120.331 25.365 1.00 33.99 O HETATM 1889 O HOH 103 78.119 125.891 -2.447 1.00 35.33 O HETATM 1890 O HOH 104 68.233 128.793 10.264 1.00 35.41 O HETATM 1891 O HOH 105 78.176 129.598 5.260 1.00 31.14 O HETATM 1892 O HOH 106 63.267 107.070 -0.213 1.00 38.67 O HETATM 1893 O HOH 107 67.524 125.697 19.849 1.00 37.19 O HETATM 1894 O HOH 108 45.149 123.959 8.855 1.00 20.48 O HETATM 1895 O HOH 109 63.318 128.681 7.492 1.00 42.82 O HETATM 1896 O HOH 110 63.110 127.531 18.267 1.00 32.63 O HETATM 1897 O HOH 111 48.328 124.312 20.550 1.00 39.25 O HETATM 1898 O HOH 112 64.399 122.642 19.231 1.00 15.50 O HETATM 1899 O HOH 113 63.116 125.225 19.229 1.00 29.92 O HETATM 1900 O HOH 114 93.909 120.398 22.690 1.00 33.34 O HETATM 1901 O HOH 115 93.228 105.932 15.394 1.00 37.87 O HETATM 1902 O HOH 116 87.189 106.339 24.155 1.00 34.30 O HETATM 1903 O HOH 117 63.772 121.823 -3.582 1.00 16.63 O HETATM 1904 O HOH 118 88.147 108.022 0.432 1.00 24.43 O HETATM 1905 O HOH 119 95.435 117.841 5.939 1.00 32.78 O HETATM 1906 O HOH 120 83.657 108.564 1.734 1.00 33.65 O HETATM 1907 O HOH 121 84.335 126.378 14.368 1.00 20.83 O HETATM 1908 O HOH 122 78.589 121.385 23.224 1.00 41.84 O HETATM 1909 O HOH 123 87.623 119.907 31.135 1.00 30.67 O HETATM 1910 O HOH 124 79.231 105.151 24.213 1.00 14.93 O HETATM 1911 O HOH 125 72.270 110.086 -1.859 1.00 15.07 O HETATM 1912 O HOH 126 85.733 128.533 4.619 1.00 36.65 O HETATM 1913 O HOH 127 83.041 119.772 -5.003 1.00 43.87 O HETATM 1914 O HOH 128 79.087 123.927 20.645 1.00 32.79 O HETATM 1915 O HOH 129 79.854 103.403 13.763 1.00 33.02 O HETATM 1916 O HOH 130 76.861 105.310 9.576 1.00 27.81 O HETATM 1917 O HOH 131 74.546 111.081 1.253 1.00 14.80 O HETATM 1918 O HOH 132 71.640 122.521 -7.282 1.00 34.06 O HETATM 1919 O HOH 133 67.441 110.274 25.917 1.00 17.09 O HETATM 1920 O HOH 134 82.983 125.623 0.601 1.00 21.60 O HETATM 1921 O HOH 135 67.401 105.470 1.419 1.00 39.70 O HETATM 1922 O HOH 136 89.226 124.567 18.811 1.00 20.74 O HETATM 1923 O HOH 137 75.474 121.076 22.385 1.00 32.74 O HETATM 1924 O HOH 138 85.888 108.926 27.065 1.00 28.79 O HETATM 1925 O HOH 139 90.690 127.563 14.471 1.00 16.15 O HETATM 1926 O HOH 140 79.808 128.714 6.437 1.00 31.74 O HETATM 1927 O HOH 141 94.385 103.668 14.584 1.00 45.33 O HETATM 1928 O HOH 142 76.693 106.388 2.501 1.00 18.64 O HETATM 1929 O HOH 143 95.360 116.660 12.157 1.00 18.51 O HETATM 1930 O HOH 144 72.296 121.449 14.782 1.00 5.17 O HETATM 1931 O HOH 145 82.404 122.160 19.353 1.00 26.83 O HETATM 1932 O HOH 146 76.979 127.288 7.056 1.00 12.64 O HETATM 1933 O HOH 147 77.724 114.226 -4.703 1.00 27.17 O HETATM 1934 O HOH 148 69.659 113.368 27.004 1.00 19.69 O HETATM 1935 O HOH 149 66.144 105.124 12.575 1.00 16.11 O HETATM 1936 O HOH 150 78.988 108.792 0.857 1.00 32.35 O HETATM 1937 O HOH 151 96.885 113.506 23.696 1.00 33.09 O HETATM 1938 O HOH 152 87.847 125.702 4.523 1.00 28.12 O HETATM 1939 O HOH 153 72.037 111.760 19.911 1.00 8.40 O HETATM 1940 O HOH 154 93.970 125.880 2.957 1.00 45.07 O HETATM 1941 O HOH 155 82.896 104.338 19.483 1.00 19.97 O HETATM 1942 O HOH 156 94.421 116.783 8.241 1.00 20.35 O HETATM 1943 O HOH 157 78.107 119.554 27.665 1.00 38.69 O HETATM 1944 O HOH 158 81.885 106.117 12.169 1.00 19.49 O HETATM 1945 O HOH 159 83.486 119.600 18.493 1.00 9.40 O HETATM 1946 O HOH 160 91.066 120.994 25.191 1.00 32.65 O HETATM 1947 O HOH 161 71.780 120.293 17.155 1.00 10.69 O HETATM 1948 O HOH 162 77.473 102.124 15.645 1.00 30.74 O HETATM 1949 O HOH 163 81.677 118.702 30.050 1.00 21.59 O HETATM 1950 O HOH 164 100.126 109.874 8.438 1.00 33.67 O HETATM 1951 O HOH 165 93.419 114.774 2.752 1.00 35.59 O HETATM 1952 O HOH 166 78.468 124.527 17.366 1.00 17.56 O HETATM 1953 O HOH 167 85.626 104.735 20.238 1.00 21.03 O HETATM 1954 O HOH 168 77.243 126.268 0.641 1.00 18.33 O HETATM 1955 O HOH 169 86.845 105.630 13.346 1.00 33.02 O HETATM 1956 O HOH 170 85.455 124.347 16.730 1.00 8.11 O HETATM 1957 O HOH 171 73.394 124.575 21.241 1.00 34.57 O HETATM 1958 O HOH 172 75.904 118.244 25.458 1.00 20.82 O HETATM 1959 O HOH 173 79.016 111.451 0.554 1.00 31.19 O HETATM 1960 O HOH 174 80.879 128.047 13.815 1.00 23.22 O HETATM 1961 O HOH 175 96.531 120.228 14.143 1.00 11.71 O HETATM 1962 O HOH 176 95.348 106.472 7.345 1.00 24.84 O HETATM 1963 O HOH 177 96.719 115.577 9.633 1.00 19.77 O HETATM 1964 O HOH 178 71.309 110.671 -5.781 1.00 18.83 O HETATM 1965 O HOH 179 80.718 127.393 0.385 1.00 26.21 O HETATM 1966 O HOH 180 89.846 114.897 2.689 1.00 27.74 O HETATM 1967 O HOH 181 84.386 107.473 27.543 1.00 29.07 O HETATM 1968 O HOH 182 85.394 118.324 -2.619 1.00 39.34 O HETATM 1969 O HOH 183 64.908 126.395 -4.385 1.00 38.94 O HETATM 1970 O HOH 184 86.512 105.443 10.059 1.00 28.93 O HETATM 1971 O HOH 185 86.703 125.436 2.474 1.00 19.96 O HETATM 1972 O HOH 186 77.334 126.733 16.790 1.00 25.33 O HETATM 1973 O HOH 187 75.441 112.675 -3.525 1.00 15.55 O HETATM 1974 O HOH 188 96.505 116.532 28.352 1.00 46.29 O HETATM 1975 O HOH 189 73.949 127.191 18.133 1.00 32.18 O HETATM 1976 O HOH 190 101.798 116.309 20.573 1.00 38.20 O HETATM 1977 O HOH 191 82.338 120.571 25.309 1.00 35.04 O HETATM 1978 O HOH 192 99.017 115.498 7.411 1.00 33.68 O HETATM 1979 O HOH 193 82.948 105.444 10.469 1.00 28.38 O HETATM 1980 O HOH 194 84.792 111.382 0.365 1.00 26.33 O HETATM 1981 O HOH 195 80.836 120.187 27.164 1.00 42.43 O HETATM 1982 O HOH 196 71.357 123.816 -4.584 1.00 29.73 O HETATM 1983 O HOH 197 82.839 120.928 23.138 1.00 33.62 O HETATM 1984 O HOH 198 95.636 101.659 15.636 1.00 43.76 O HETATM 1985 O HOH 199 66.608 108.483 2.858 1.00 19.31 O HETATM 1986 O HOH 200 84.582 125.550 18.547 1.00 35.23 O HETATM 1987 O HOH 201 68.272 126.475 -3.222 1.00 31.48 O HETATM 1988 O HOH 202 100.003 114.082 11.338 1.00 33.62 O HETATM 1989 O HOH 203 74.755 119.152 23.577 1.00 37.85 O HETATM 1990 O HOH 204 91.572 115.265 1.293 1.00 37.35 O HETATM 1991 O HOH 205 100.081 106.783 23.285 1.00 47.01 O HETATM 1992 O HOH 206 87.627 104.227 7.931 1.00 35.73 O HETATM 1993 O HOH 207 68.967 123.964 -3.894 1.00 28.52 O HETATM 1994 O HOH 208 76.508 103.755 7.838 1.00 38.57 O HETATM 1995 O HOH 209 76.988 110.284 0.064 1.00 19.36 O HETATM 1996 O HOH 210 94.244 120.809 29.654 1.00 45.79 O HETATM 1997 O HOH 211 77.498 123.097 22.919 1.00 48.12 O HETATM 1998 O HOH 212 99.715 114.759 13.234 1.00 32.87 O HETATM 1999 O HOH 213 85.235 120.834 -4.165 1.00 32.83 O HETATM 2000 O HOH 214 98.319 117.787 6.085 1.00 34.92 O HETATM 2001 O HOH 215 79.145 105.411 2.053 1.00 39.08 O HETATM 2002 O HOH 216 80.049 126.765 15.972 1.00 34.88 O HETATM 2003 O HOH 217 70.443 116.114 26.986 1.00 29.87 O HETATM 2004 O HOH 218 68.032 115.618 26.417 1.00 32.25 O HETATM 2005 O HOH 219 71.872 107.557 -3.542 1.00 26.32 O HETATM 2006 O HOH 220 80.347 112.490 -1.391 1.00 38.02 O HETATM 2007 O HOH 221 88.478 109.791 28.281 1.00 28.87 O HETATM 2008 O HOH 222 94.872 104.773 4.886 1.00 36.54 O HETATM 2009 O HOH 223 92.641 123.414 29.736 1.00 40.63 O HETATM 2010 N1 A A 60 66.004 107.801 13.121 1.00 -0.34 N HETATM 2011 C2 A A 60 66.878 108.535 13.995 1.00 0.04 C HETATM 2012 C3 A A 60 66.647 110.053 14.216 1.00 -0.04 C HETATM 2013 C4 A A 60 67.573 110.828 15.142 1.00 -0.05 C HETATM 2014 C5 A A 60 68.716 110.096 15.857 1.00 0.09 C HETATM 2015 C6 A A 60 68.952 108.594 15.641 1.00 -0.05 C HETATM 2016 C7 A A 60 68.018 107.813 14.705 1.00 -0.04 C HETATM 2017 H6 A A 60 68.169 106.751 14.549 1.00 0.05 H HETATM 2018 H5 A A 60 69.769 108.090 16.144 1.00 0.06 H HETATM 2019 S8 A A 60 69.840 111.042 16.954 1.00 0.06 S HETATM 2020 O9 A A 60 69.220 112.258 17.465 1.00 -0.15 O HETATM 2021 O10 A A 60 70.239 110.273 18.120 1.00 -0.15 O HETATM 2022 N11 A A 60 71.206 111.373 15.981 1.00 -0.23 N HETATM 2023 C12 A A 60 71.930 110.184 15.524 1.00 0.03 C HETATM 2024 C13 A A 60 73.506 110.433 15.528 1.00 -0.02 C HETATM 2025 C14 A A 60 74.224 109.120 15.082 1.00 -0.05 C HETATM 2026 C20 A A 60 74.046 108.902 13.565 1.00 -0.07 C HETATM 2027 H22 A A 60 74.556 107.975 13.265 1.00 0.02 H HETATM 2028 H23 A A 60 74.480 109.752 13.019 1.00 0.02 H HETATM 2029 H24 A A 60 72.975 108.823 13.329 1.00 0.02 H HETATM 2030 H10 A A 60 73.791 108.267 15.625 1.00 0.03 H HETATM 2031 H11 A A 60 75.296 109.196 15.314 1.00 0.03 H HETATM 2032 C15 A A 60 73.962 110.799 16.959 1.00 -0.05 C HETATM 2033 C18 A A 60 75.434 111.314 16.934 1.00 -0.07 C HETATM 2034 H17 A A 60 75.750 111.572 17.956 1.00 0.02 H HETATM 2035 H18 A A 60 75.499 112.206 16.294 1.00 0.02 H HETATM 2036 H19 A A 60 76.091 110.527 16.535 1.00 0.02 H HETATM 2037 H12 A A 60 73.899 109.908 17.601 1.00 0.03 H HETATM 2038 H13 A A 60 73.307 111.587 17.360 1.00 0.03 H HETATM 2039 H9 A A 60 73.757 111.251 14.836 1.00 0.03 H HETATM 2040 H7 A A 60 71.608 109.939 14.501 1.00 0.05 H HETATM 2041 H8 A A 60 71.698 109.343 16.194 1.00 0.05 H HETATM 2042 C16 A A 60 71.060 112.516 15.023 1.00 0.06 C HETATM 2043 C17 A A 60 72.019 113.682 15.442 1.00 0.09 C HETATM 2044 O18 A A 60 71.961 114.691 14.503 1.00 -0.39 O HETATM 2045 H20 A A 60 71.071 115.019 14.447 1.00 0.21 H HETATM 2046 C19 A A 60 71.601 114.225 16.808 1.00 0.07 C HETATM 2047 N20 A A 60 72.628 115.184 17.248 1.00 -0.26 N HETATM 2048 C21 A A 60 73.660 114.817 18.270 1.00 0.32 C HETATM 2049 O22 A A 60 73.583 113.837 18.932 1.00 -0.38 O HETATM 2050 O23 A A 60 74.746 115.730 18.398 1.00 -0.26 O HETATM 2051 C24 A A 60 75.599 115.642 19.640 1.00 0.12 C HETATM 2052 C25 A A 60 76.778 115.986 19.325 1.00 0.08 C HETATM 2053 O26 A A 60 76.681 117.616 19.192 1.00 -0.35 O HETATM 2054 C27 A A 60 75.869 117.997 20.124 1.00 0.16 C HETATM 2055 O28 A A 60 74.712 118.910 19.556 1.00 -0.35 O HETATM 2056 C29 A A 60 73.629 118.169 19.508 1.00 0.05 C HETATM 2057 C30 A A 60 73.838 117.007 20.630 1.00 -0.02 C HETATM 2058 C31 A A 60 75.164 116.741 20.658 1.00 0.04 C HETATM 2059 H34 A A 60 75.481 116.481 21.679 1.00 0.04 H HETATM 2060 H32 A A 60 73.274 116.104 20.353 1.00 0.03 H HETATM 2061 H33 A A 60 73.500 117.363 21.614 1.00 0.03 H HETATM 2062 H30 A A 60 73.515 117.722 18.510 1.00 0.06 H HETATM 2063 H31 A A 60 72.740 118.773 19.743 1.00 0.06 H HETATM 2064 H29 A A 60 76.421 118.520 20.919 1.00 0.09 H HETATM 2065 H27 A A 60 77.078 115.531 18.369 1.00 0.06 H HETATM 2066 H28 A A 60 77.494 115.698 20.109 1.00 0.06 H HETATM 2067 H26 A A 60 75.558 114.634 20.079 1.00 0.07 H HETATM 2068 H25 A A 60 72.637 116.103 16.855 1.00 0.19 H HETATM 2069 C32 A A 60 70.301 114.992 16.744 1.00 -0.02 C HETATM 2070 C38 A A 60 70.053 115.638 18.136 1.00 -0.04 C HETATM 2071 C33 A A 60 69.724 114.742 19.338 1.00 -0.05 C HETATM 2072 C34 A A 60 69.482 115.375 20.725 1.00 -0.05 C HETATM 2073 C35 A A 60 69.575 116.914 20.907 1.00 -0.05 C HETATM 2074 C36 A A 60 69.910 117.808 19.705 1.00 -0.05 C HETATM 2075 C37 A A 60 70.150 117.177 18.320 1.00 -0.05 C HETATM 2076 H45 A A 60 71.164 117.470 18.010 1.00 0.03 H HETATM 2077 H46 A A 60 69.414 117.625 17.636 1.00 0.03 H HETATM 2078 H43 A A 60 70.825 118.361 19.965 1.00 0.03 H HETATM 2079 H44 A A 60 69.075 118.514 19.592 1.00 0.03 H HETATM 2080 H41 A A 60 70.350 117.098 21.666 1.00 0.03 H HETATM 2081 H42 A A 60 68.600 117.249 21.290 1.00 0.03 H HETATM 2082 H39 A A 60 70.219 114.930 21.409 1.00 0.03 H HETATM 2083 H40 A A 60 68.469 115.080 21.035 1.00 0.03 H HETATM 2084 H37 A A 60 68.812 114.184 19.079 1.00 0.03 H HETATM 2085 H38 A A 60 70.563 114.040 19.451 1.00 0.03 H HETATM 2086 H47 A A 60 68.981 115.731 17.905 1.00 0.03 H HETATM 2087 H35 A A 60 69.476 114.308 16.498 1.00 0.03 H HETATM 2088 H36 A A 60 70.368 115.776 15.976 1.00 0.03 H HETATM 2089 H21 A A 60 71.511 113.394 17.523 1.00 0.06 H HETATM 2090 H16 A A 60 73.049 113.301 15.502 1.00 0.06 H HETATM 2091 H14 A A 60 70.020 112.875 15.037 1.00 0.05 H HETATM 2092 H15 A A 60 71.317 112.178 14.008 1.00 0.05 H HETATM 2093 H4 A A 60 67.426 111.891 15.296 1.00 0.06 H HETATM 2094 H3 A A 60 65.831 110.559 13.714 1.00 0.05 H HETATM 2095 H1 A A 60 65.233 108.284 12.639 1.00 0.17 H HETATM 2096 H2 A A 60 66.149 106.792 12.976 1.00 0.17 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 883 884 889 890 891 CONECT 890 883 CONECT 891 883 CONECT 2010 2011 2095 2096 CONECT 2011 2010 2012 2016 CONECT 2012 2011 2013 2094 CONECT 2013 2012 2014 2093 CONECT 2014 2013 2015 2019 CONECT 2015 2014 2016 2018 CONECT 2016 2011 2015 2017 CONECT 2017 2016 CONECT 2018 2015 CONECT 2019 2014 2020 2021 2022 CONECT 2020 2019 CONECT 2021 2019 CONECT 2022 2019 2023 2042 CONECT 2023 2022 2024 2040 2041 CONECT 2024 2023 2025 2032 2039 CONECT 2025 2024 2026 2030 2031 CONECT 2026 2025 2027 2028 2029 CONECT 2027 2026 CONECT 2028 2026 CONECT 2029 2026 CONECT 2030 2025 CONECT 2031 2025 CONECT 2032 2024 2033 2037 2038 CONECT 2033 2032 2034 2035 2036 CONECT 2034 2033 CONECT 2035 2033 CONECT 2036 2033 CONECT 2037 2032 CONECT 2038 2032 CONECT 2039 2024 CONECT 2040 2023 CONECT 2041 2023 CONECT 2042 2022 2043 2091 2092 CONECT 2043 2042 2044 2046 2090 CONECT 2044 2043 2045 CONECT 2045 2044 CONECT 2046 2043 2047 2069 2089 CONECT 2047 2046 2048 2068 CONECT 2048 2047 2049 2050 CONECT 2049 2048 CONECT 2050 2048 2051 CONECT 2051 2050 2052 2058 2067 CONECT 2052 2051 2053 2065 2066 CONECT 2053 2052 2054 CONECT 2054 2053 2055 2058 2064 CONECT 2055 2054 2056 CONECT 2056 2055 2057 2062 2063 CONECT 2057 2056 2058 2060 2061 CONECT 2058 2051 2054 2057 2059 CONECT 2059 2058 CONECT 2060 2057 CONECT 2061 2057 CONECT 2062 2056 CONECT 2063 2056 CONECT 2064 2054 CONECT 2065 2052 CONECT 2066 2052 CONECT 2067 2051 CONECT 2068 2047 CONECT 2069 2046 2070 2087 2088 CONECT 2070 2069 2071 2075 2086 CONECT 2071 2070 2072 2084 2085 CONECT 2072 2071 2073 2082 2083 CONECT 2073 2072 2074 2080 2081 CONECT 2074 2073 2075 2078 2079 CONECT 2075 2070 2074 2076 2077 CONECT 2076 2075 CONECT 2077 2075 CONECT 2078 2074 CONECT 2079 2074 CONECT 2080 2073 CONECT 2081 2073 CONECT 2082 2072 CONECT 2083 2072 CONECT 2084 2071 CONECT 2085 2071 CONECT 2086 2070 CONECT 2087 2069 CONECT 2088 2069 CONECT 2089 2046 CONECT 2090 2043 CONECT 2091 2042 CONECT 2092 2042 CONECT 2093 2013 CONECT 2094 2012 CONECT 2095 2010 CONECT 2096 2010 MASTER 0 0 0 0 0 0 0 0 2094 2 93 16 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 6dh8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1eby
RCSB PDB
PDBbind
99aa, >1EBY_1|Chains... at 90%
1hxw
RCSB PDB
PDBbind
99aa, >1HXW_1|Chains... at 90%
1izh
RCSB PDB
PDBbind
99aa, >1IZH_1|Chains... at 90%
1k6c
RCSB PDB
PDBbind
99aa, >1K6C_1|Chains... at 91%
1k6p
RCSB PDB
PDBbind
99aa, >1K6P_1|Chains... at 91%
1k6t
RCSB PDB
PDBbind
99aa, >1K6T_1|Chains... at 91%
1k6v
RCSB PDB
PDBbind
99aa, >1K6V_1|Chains... at 91%
1pro
RCSB PDB
PDBbind
99aa, >1PRO_1|Chains... at 90%
1sbg
RCSB PDB
PDBbind
99aa, >1SBG_1|Chains... at 90%
1t7j
RCSB PDB
PDBbind
99aa, >1T7J_1|Chains... at 91%
1vij
RCSB PDB
PDBbind
99aa, >1VIJ_1|Chains... at 90%
1vik
RCSB PDB
PDBbind
99aa, >1VIK_1|Chains... at 90%
1zp8
RCSB PDB
PDBbind
99aa, >1ZP8_1|Chain... at 90%
1zpa
RCSB PDB
PDBbind
99aa, >1ZPA_1|Chain... at 90%
2az8
RCSB PDB
PDBbind
99aa, >2AZ8_1|Chain... at 91%
2az9
RCSB PDB
PDBbind
99aa, >2AZ9_1|Chain... at 90%
2i4d
RCSB PDB
PDBbind
99aa, >2I4D_1|Chains... at 90%
2i4u
RCSB PDB
PDBbind
99aa, >2I4U_1|Chains... at 90%
2i4w
RCSB PDB
PDBbind
99aa, >2I4W_1|Chains... at 90%
2o4k
RCSB PDB
PDBbind
99aa, >2O4K_1|Chains... at 90%
2o4p
RCSB PDB
PDBbind
99aa, >2O4P_1|Chains... at 90%
2o4s
RCSB PDB
PDBbind
99aa, >2O4S_1|Chains... at 90%
2p3b
RCSB PDB
PDBbind
99aa, >2P3B_2|Chain... at 90%
3ekp
RCSB PDB
PDBbind
99aa, >3EKP_1|Chains... at 90%
3ekq
RCSB PDB
PDBbind
99aa, >3EKQ_1|Chains... at 90%
3ekt
RCSB PDB
PDBbind
99aa, >3EKT_1|Chains... at 90%
3ekw
RCSB PDB
PDBbind
99aa, >3EKW_1|Chains... at 90%
3el0
RCSB PDB
PDBbind
99aa, >3EL0_1|Chains... at 90%
3el4
RCSB PDB
PDBbind
99aa, >3EL4_1|Chains... at 92%
3el5
RCSB PDB
PDBbind
99aa, >3EL5_1|Chains... at 91%
3kfn
RCSB PDB
PDBbind
99aa, >3KFN_1|Chains... at 91%
3m9f
RCSB PDB
PDBbind
99aa, >3M9F_1|Chains... at 90%
3tlh
RCSB PDB
PDBbind
99aa, >3TLH_1|Chain... at 90%
4eqj
RCSB PDB
PDBbind
203aa, >4EQJ_1|Chain... *
4ll3
RCSB PDB
PDBbind
99aa, >4LL3_1|Chains... at 90%
4phv
RCSB PDB
PDBbind
99aa, >4PHV_1|Chains... at 90%
5hvp
RCSB PDB
PDBbind
99aa, >5HVP_1|Chains... at 90%
5ivs
RCSB PDB
PDBbind
99aa, >5IVS_1|Chains... at 90%
6dgx
RCSB PDB
PDBbind
99aa, >6DGX_1|Chains... at 91%
6dgy
RCSB PDB
PDBbind
99aa, >6DGY_1|Chains... at 91%
6dgz
RCSB PDB
PDBbind
99aa, >6DGZ_1|Chains... at 91%
6dh0
RCSB PDB
PDBbind
99aa, >6DH0_1|Chains... at 90%
6dh1
RCSB PDB
PDBbind
99aa, >6DH1_1|Chains... at 90%
6dh2
RCSB PDB
PDBbind
99aa, >6DH2_1|Chains... at 90%
6dh3
RCSB PDB
PDBbind
99aa, >6DH3_1|Chains... at 90%
6dh4
RCSB PDB
PDBbind
99aa, >6DH4_1|Chains... at 90%
6dh5
RCSB PDB
PDBbind
99aa, >6DH5_1|Chains... at 90%
6dh6
RCSB PDB
PDBbind
99aa, >6DH6_1|Chains... at 90%
6dh7
RCSB PDB
PDBbind
99aa, >6DH7_1|Chains... at 90%
9hvp
RCSB PDB
PDBbind
99aa, >9HVP_1|Chains... at 90%
6oy2
RCSB PDB
PDBbind
99aa, >6OY2_1|Chains... at 91%
6oy0
RCSB PDB
PDBbind
99aa, >6OY0_1|Chains... at 91%
6oxz
RCSB PDB
PDBbind
99aa, >6OXZ_1|Chains... at 91%
6oxy
RCSB PDB
PDBbind
99aa, >6OXY_1|Chains... at 91%
6oxx
RCSB PDB
PDBbind
99aa, >6OXX_1|Chains... at 91%
6oxw
RCSB PDB
PDBbind
99aa, >6OXW_1|Chains... at 91%
6oxv
RCSB PDB
PDBbind
99aa, >6OXV_1|Chains... at 91%
6oxu
RCSB PDB
PDBbind
99aa, >6OXU_1|Chains... at 91%
6oxt
RCSB PDB
PDBbind
99aa, >6OXT_1|Chains... at 91%
6oxs
RCSB PDB
PDBbind
99aa, >6OXS_1|Chains... at 91%
6oxr
RCSB PDB
PDBbind
99aa, >6OXR_1|Chains... at 91%
6oxq
RCSB PDB
PDBbind
99aa, >6OXQ_1|Chains... at 91%
6oxp
RCSB PDB
PDBbind
99aa, >6OXP_1|Chains... at 91%
6oou
RCSB PDB
PDBbind
99aa, >6OOU_1|Chains... at 90%
6oos
RCSB PDB
PDBbind
99aa, >6OOS_1|Chains... at 90%
6oy1
RCSB PDB
PDBbind
99aa, >6OY1_1|Chains... at 91%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3o9e
RCSB PDB
PDBbind
A60
6dgz
RCSB PDB
PDBbind
A60
6dh2
RCSB PDB
PDBbind
A60
6dh5
RCSB PDB
PDBbind
A60
Entry Information
PDB ID
6dh8
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
HIV-1 Protease I50V Mutant
Ligand Name
A60
EC.Number
E.C.-.-.-.-
Resolution
1.95(Å)
Affinity (Kd/Ki/IC50)
Ki=146.2pM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) ACS Infect Dis Vol. 5: pp. 316-325
Ligand Properties
Formula
C
2
9
H
4
7
N
3
O
7
S
Molecular Weight
581.764
Exact Mass
581.313
No. of atoms
87
No. of bonds
90
Polar Surface Area
148.8
LOGP Value
4.79 (
Computed with XLOGP3
)
5.94 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
Canonical SMILES
CCC(CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@@H](NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)CC1CCCCC1)O)CC
InChI String
InChI=1S/C29H47N3O7S/c1-3-20(4-2)17-32(40(35,36)23-12-10-22(30)11-13-23)18-26(33)25(16-21-8-6-5-7-9-21)31-29(34)39-27-19-38-28-24(27)14-15-37-28/h10-13,20-21,24-28,33H,3-9,14-19,30H2,1-2H3,(H,31,34)/t24-,25-,26+,27-,28+/m0/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
Q7ZCR0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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