Browse entries in the PDBbind-CN Database
HEADER 6DH7_COMPLEX COMPND 6DH7_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 K A 13 78 ATOM 1 N PRO A 1 79.761 65.194 -2.916 1.00 43.37 N ATOM 2 CA PRO A 1 78.831 64.423 -3.750 1.00 31.56 C ATOM 3 C PRO A 1 77.394 64.560 -3.302 1.00 28.63 C ATOM 4 O PRO A 1 77.142 65.121 -2.242 1.00 27.68 O ATOM 5 CB PRO A 1 79.308 62.982 -3.561 1.00 42.50 C ATOM 6 CG PRO A 1 79.958 62.982 -2.214 1.00 32.91 C ATOM 7 CD PRO A 1 80.633 64.318 -2.115 1.00 30.47 C ATOM 8 HN2 PRO A 1 79.213 65.802 -2.274 1.00 0.00 H ATOM 9 HN1 PRO A 1 80.353 65.787 -3.532 1.00 0.00 H ATOM 10 N GLN A 2 76.466 64.070 -4.115 1.00 26.12 N ATOM 11 CA GLN A 2 75.088 63.863 -3.694 1.00 24.94 C ATOM 12 C GLN A 2 74.903 62.384 -3.373 1.00 30.57 C ATOM 13 O GLN A 2 75.221 61.519 -4.197 1.00 26.90 O ATOM 14 CB GLN A 2 74.108 64.307 -4.775 1.00 28.06 C ATOM 15 CG GLN A 2 72.641 64.154 -4.391 1.00 25.67 C ATOM 16 CD GLN A 2 71.719 65.026 -5.241 1.00 34.83 C ATOM 17 OE1 GLN A 2 71.532 66.207 -4.960 1.00 27.49 O ATOM 18 NE2 GLN A 2 71.145 64.440 -6.292 1.00 34.20 N ATOM 19 HE22 GLN A 2 71.331 63.437 -6.494 1.00 0.00 H ATOM 20 HE21 GLN A 2 70.511 64.986 -6.910 1.00 0.00 H ATOM 21 H GLN A 2 76.734 63.825 -5.090 1.00 0.00 H ATOM 22 N ILE A 3 74.426 62.096 -2.166 1.00 21.80 N ATOM 23 CA ILE A 3 74.260 60.729 -1.695 1.00 21.55 C ATOM 24 C ILE A 3 72.778 60.506 -1.445 1.00 17.64 C ATOM 25 O ILE A 3 72.165 61.211 -0.633 1.00 19.58 O ATOM 26 CB ILE A 3 75.077 60.462 -0.424 1.00 23.15 C ATOM 27 CG1 ILE A 3 76.566 60.640 -0.699 1.00 21.82 C ATOM 28 CG2 ILE A 3 74.795 59.060 0.099 1.00 25.67 C ATOM 29 CD1 ILE A 3 77.424 60.683 0.543 1.00 21.61 C ATOM 30 H ILE A 3 74.161 62.878 -1.534 1.00 0.00 H ATOM 31 N THR A 4 72.205 59.537 -2.145 1.00 19.87 N ATOM 32 CA THR A 4 70.846 59.112 -1.873 1.00 14.20 C ATOM 33 C THR A 4 70.848 58.105 -0.733 1.00 13.96 C ATOM 34 O THR A 4 71.902 57.643 -0.282 1.00 17.40 O ATOM 35 CB THR A 4 70.216 58.506 -3.126 1.00 24.34 C ATOM 36 OG1 THR A 4 71.012 57.403 -3.568 1.00 24.26 O ATOM 37 CG2 THR A 4 70.139 59.540 -4.231 1.00 24.17 C ATOM 38 HG1 THR A 4 70.606 57.009 -4.380 1.00 0.00 H ATOM 39 H THR A 4 72.742 59.072 -2.905 1.00 0.00 H ATOM 40 N LEU A 5 69.648 57.756 -0.265 1.00 15.64 N ATOM 41 CA LEU A 5 69.503 57.045 1.000 1.00 18.84 C ATOM 42 C LEU A 5 68.776 55.713 0.871 1.00 20.14 C ATOM 43 O LEU A 5 68.248 55.216 1.871 1.00 14.72 O ATOM 44 CB LEU A 5 68.792 57.943 2.007 1.00 17.37 C ATOM 45 CG LEU A 5 69.576 59.229 2.261 1.00 15.45 C ATOM 46 CD1 LEU A 5 68.749 60.236 3.026 1.00 18.78 C ATOM 47 CD2 LEU A 5 70.853 58.909 3.031 1.00 19.89 C ATOM 48 H LEU A 5 68.798 57.996 -0.814 1.00 0.00 H ATOM 49 N TRP A 6 68.756 55.119 -0.334 1.00 24.04 N ATOM 50 CA TRP A 6 68.224 53.770 -0.511 1.00 17.02 C ATOM 51 C TRP A 6 69.096 52.737 0.181 1.00 21.08 C ATOM 52 O TRP A 6 68.609 51.661 0.543 1.00 17.83 O ATOM 53 CB TRP A 6 68.110 53.413 -1.999 1.00 25.82 C ATOM 54 CG TRP A 6 67.409 54.434 -2.775 1.00 27.46 C ATOM 55 CD1 TRP A 6 67.968 55.428 -3.541 1.00 26.40 C ATOM 56 CD2 TRP A 6 66.004 54.607 -2.853 1.00 23.12 C ATOM 57 NE1 TRP A 6 66.985 56.205 -4.090 1.00 30.12 N ATOM 58 CE2 TRP A 6 65.767 55.719 -3.683 1.00 29.91 C ATOM 59 CE3 TRP A 6 64.919 53.926 -2.307 1.00 27.92 C ATOM 60 CZ2 TRP A 6 64.491 56.168 -3.969 1.00 31.25 C ATOM 61 CZ3 TRP A 6 63.653 54.371 -2.599 1.00 22.03 C ATOM 62 CH2 TRP A 6 63.446 55.473 -3.422 1.00 37.24 C ATOM 63 HE1 TRP A 6 67.135 57.026 -4.711 1.00 0.00 H ATOM 64 H TRP A 6 69.128 55.631 -1.159 1.00 0.00 H ATOM 65 N LYS A 7 70.379 53.032 0.342 1.00 16.65 N ATOM 66 CA LYS A 7 71.308 52.227 1.117 1.00 19.54 C ATOM 67 C LYS A 7 71.857 53.082 2.249 1.00 16.81 C ATOM 68 O LYS A 7 71.748 54.314 2.230 1.00 18.61 O ATOM 69 CB LYS A 7 72.454 51.703 0.239 1.00 18.49 C ATOM 70 H LYS A 7 70.743 53.893 -0.115 1.00 0.00 H ATOM 71 N ARG A 8 72.479 52.428 3.222 1.00 13.79 N ATOM 72 CA ARG A 8 73.156 53.156 4.285 1.00 17.25 C ATOM 73 C ARG A 8 74.231 54.072 3.694 1.00 18.03 C ATOM 74 O ARG A 8 75.013 53.636 2.836 1.00 15.00 O ATOM 75 CB ARG A 8 73.777 52.182 5.288 1.00 19.64 C ATOM 76 CG ARG A 8 72.776 51.634 6.317 1.00 19.70 C ATOM 77 CD ARG A 8 73.490 51.091 7.562 1.00 31.47 C ATOM 78 NE ARG A 8 72.561 50.500 8.531 1.00 37.86 N ATOM 79 CZ ARG A 8 72.919 49.993 9.712 1.00 35.34 C ATOM 80 NH1 ARG A 8 74.190 49.986 10.094 1.00 29.29 N ATOM 81 NH2 ARG A 8 72.002 49.481 10.518 1.00 39.04 N ATOM 82 HE ARG A 8 71.552 50.474 8.280 1.00 0.00 H ATOM 83 HH12 ARG A 8 74.453 49.587 11.018 1.00 0.00 H ATOM 84 HH11 ARG A 8 74.923 50.379 9.470 1.00 0.00 H ATOM 85 HH22 ARG A 8 72.281 49.086 11.439 1.00 0.00 H ATOM 86 HH21 ARG A 8 71.003 49.474 10.231 1.00 0.00 H ATOM 87 H ARG A 8 72.483 51.388 3.225 1.00 0.00 H ATOM 88 N PRO A 9 74.307 55.331 4.112 1.00 14.96 N ATOM 89 CA PRO A 9 75.398 56.209 3.614 1.00 15.99 C ATOM 90 C PRO A 9 76.741 55.943 4.290 1.00 13.79 C ATOM 91 O PRO A 9 77.220 56.666 5.167 1.00 17.38 O ATOM 92 CB PRO A 9 74.862 57.611 3.912 1.00 12.13 C ATOM 93 CG PRO A 9 73.989 57.437 5.082 1.00 12.50 C ATOM 94 CD PRO A 9 73.335 56.081 4.926 1.00 17.03 C ATOM 95 N LEU A 10 77.371 54.857 3.853 1.00 16.45 N ATOM 96 CA LEU A 10 78.669 54.430 4.356 1.00 17.27 C ATOM 97 C LEU A 10 79.784 55.009 3.500 1.00 19.46 C ATOM 98 O LEU A 10 79.701 55.000 2.274 1.00 23.77 O ATOM 99 CB LEU A 10 78.763 52.906 4.348 1.00 21.54 C ATOM 100 CG LEU A 10 77.768 52.176 5.244 1.00 20.28 C ATOM 101 CD1 LEU A 10 77.773 50.698 4.925 1.00 27.37 C ATOM 102 CD2 LEU A 10 78.112 52.386 6.702 1.00 19.05 C ATOM 103 H LEU A 10 76.914 54.284 3.115 1.00 0.00 H ATOM 104 N VAL A 11 80.827 55.520 4.154 1.00 19.67 N ATOM 105 CA VAL A 11 81.946 56.142 3.466 1.00 16.45 C ATOM 106 C VAL A 11 83.232 55.702 4.146 1.00 21.28 C ATOM 107 O VAL A 11 83.251 55.327 5.318 1.00 15.15 O ATOM 108 CB VAL A 11 81.874 57.684 3.456 1.00 22.57 C ATOM 109 CG1 VAL A 11 80.636 58.147 2.725 1.00 18.43 C ATOM 110 CG2 VAL A 11 81.903 58.235 4.876 1.00 25.24 C ATOM 111 H VAL A 11 80.841 55.472 5.193 1.00 0.00 H ATOM 112 N THR A 12 84.313 55.789 3.397 1.00 14.56 N ATOM 113 CA THR A 12 85.626 55.500 3.929 1.00 16.86 C ATOM 114 C THR A 12 86.169 56.736 4.625 1.00 16.28 C ATOM 115 O THR A 12 86.102 57.848 4.095 1.00 22.13 O ATOM 116 CB THR A 12 86.567 55.049 2.809 1.00 28.27 C ATOM 117 OG1 THR A 12 85.988 53.938 2.112 1.00 24.25 O ATOM 118 CG2 THR A 12 87.906 54.633 3.373 1.00 19.81 C ATOM 119 HG1 THR A 12 85.847 53.190 2.745 1.00 0.00 H ATOM 120 H THR A 12 84.219 56.072 2.401 1.00 0.00 H ATOM 121 N ILE A 13 86.687 56.537 5.823 1.00 18.78 N ATOM 122 CA ILE A 13 87.308 57.599 6.593 1.00 19.35 C ATOM 123 C ILE A 13 88.739 57.177 6.853 1.00 23.31 C ATOM 124 O ILE A 13 89.079 55.994 6.778 1.00 19.43 O ATOM 125 CB ILE A 13 86.565 57.872 7.909 1.00 14.28 C ATOM 126 CG1 ILE A 13 86.593 56.631 8.791 1.00 13.98 C ATOM 127 CG2 ILE A 13 85.107 58.277 7.609 1.00 17.15 C ATOM 128 CD1 ILE A 13 86.279 56.859 10.261 1.00 16.49 C ATOM 129 H ILE A 13 86.648 55.581 6.231 1.00 0.00 H ATOM 130 N LYS A 14 89.577 58.155 7.168 1.00 23.86 N ATOM 131 CA LYS A 14 90.946 57.894 7.587 1.00 19.86 C ATOM 132 C LYS A 14 91.194 58.618 8.897 1.00 24.68 C ATOM 133 O LYS A 14 90.999 59.836 8.990 1.00 20.59 O ATOM 134 CB LYS A 14 91.949 58.328 6.519 1.00 21.81 C ATOM 135 CG LYS A 14 93.377 58.290 6.979 1.00 26.44 C ATOM 136 CD LYS A 14 94.312 58.048 5.809 1.00 33.86 C ATOM 137 CE LYS A 14 95.676 58.705 6.012 1.00 50.22 C ATOM 138 NZ LYS A 14 95.801 59.998 5.270 1.00 52.14 N ATOM 139 HZ1 LYS A 14 95.675 59.826 4.252 1.00 0.00 H ATOM 140 HZ2 LYS A 14 95.072 60.660 5.604 1.00 0.00 H ATOM 141 HZ3 LYS A 14 96.743 60.404 5.440 1.00 0.00 H ATOM 142 H LYS A 14 89.246 59.139 7.114 1.00 0.00 H ATOM 143 N ILE A 15 91.591 57.866 9.911 1.00 24.65 N ATOM 144 CA ILE A 15 91.834 58.413 11.235 1.00 22.11 C ATOM 145 C ILE A 15 93.011 57.675 11.843 1.00 29.03 C ATOM 146 O ILE A 15 93.118 56.452 11.712 1.00 26.85 O ATOM 147 CB ILE A 15 90.585 58.301 12.136 1.00 22.78 C ATOM 148 CG1 ILE A 15 90.925 58.805 13.533 1.00 25.68 C ATOM 149 CG2 ILE A 15 90.073 56.860 12.164 1.00 28.50 C ATOM 150 CD1 ILE A 15 89.744 59.203 14.368 1.00 28.96 C ATOM 151 H ILE A 15 91.734 56.848 9.755 1.00 0.00 H ATOM 152 N GLY A 16 93.888 58.418 12.518 1.00 27.68 N ATOM 153 CA GLY A 16 95.101 57.833 13.068 1.00 28.67 C ATOM 154 C GLY A 16 95.951 57.143 12.026 1.00 34.67 C ATOM 155 O GLY A 16 96.694 56.211 12.351 1.00 34.75 O ATOM 156 H GLY A 16 93.702 59.432 12.654 1.00 0.00 H ATOM 157 N GLY A 17 95.863 57.581 10.775 1.00 27.48 N ATOM 158 CA GLY A 17 96.557 56.920 9.697 1.00 29.66 C ATOM 159 C GLY A 17 95.930 55.631 9.246 1.00 33.13 C ATOM 160 O GLY A 17 96.517 54.942 8.405 1.00 36.61 O ATOM 161 H GLY A 17 95.281 58.418 10.568 1.00 0.00 H ATOM 162 N GLN A 18 94.752 55.294 9.757 1.00 28.61 N ATOM 163 CA GLN A 18 94.066 54.057 9.423 1.00 28.04 C ATOM 164 C GLN A 18 92.774 54.352 8.666 1.00 29.06 C ATOM 165 O GLN A 18 92.059 55.313 8.976 1.00 27.95 O ATOM 166 CB GLN A 18 93.763 53.268 10.697 1.00 38.76 C ATOM 167 CG GLN A 18 93.276 51.846 10.474 1.00 43.62 C ATOM 168 CD GLN A 18 93.183 51.065 11.784 1.00 45.11 C ATOM 169 OE1 GLN A 18 92.593 51.530 12.762 1.00 40.07 O ATOM 170 NE2 GLN A 18 93.792 49.887 11.812 1.00 42.25 N ATOM 171 HE22 GLN A 18 94.278 49.533 10.964 1.00 0.00 H ATOM 172 HE21 GLN A 18 93.783 49.318 12.682 1.00 0.00 H ATOM 173 H GLN A 18 94.298 55.946 10.428 1.00 0.00 H ATOM 174 N LEU A 19 92.489 53.522 7.669 1.00 23.65 N ATOM 175 CA LEU A 19 91.239 53.571 6.925 1.00 22.64 C ATOM 176 C LEU A 19 90.154 52.742 7.613 1.00 27.40 C ATOM 177 O LEU A 19 90.405 51.633 8.089 1.00 29.75 O ATOM 178 CB LEU A 19 91.441 53.042 5.505 1.00 25.79 C ATOM 179 CG LEU A 19 92.402 53.755 4.551 1.00 27.28 C ATOM 180 CD1 LEU A 19 92.335 53.102 3.186 1.00 21.84 C ATOM 181 CD2 LEU A 19 92.060 55.206 4.435 1.00 26.73 C ATOM 182 H LEU A 19 93.193 52.802 7.407 1.00 0.00 H ATOM 183 N LYS A 20 88.938 53.279 7.632 1.00 19.14 N ATOM 184 CA LYS A 20 87.779 52.590 8.186 1.00 21.82 C ATOM 185 C LYS A 20 86.536 52.996 7.404 1.00 20.42 C ATOM 186 O LYS A 20 86.538 53.972 6.655 1.00 21.28 O ATOM 187 CB LYS A 20 87.579 52.899 9.672 1.00 20.17 C ATOM 188 CG LYS A 20 88.715 52.439 10.584 1.00 25.14 C ATOM 189 CD LYS A 20 88.508 52.971 11.987 1.00 30.77 C ATOM 190 CE LYS A 20 89.497 52.365 12.972 1.00 38.41 C ATOM 191 NZ LYS A 20 89.136 50.986 13.406 1.00 42.18 N ATOM 192 HZ1 LYS A 20 88.205 51.002 13.869 1.00 0.00 H ATOM 193 HZ2 LYS A 20 89.100 50.361 12.576 1.00 0.00 H ATOM 194 HZ3 LYS A 20 89.851 50.636 14.075 1.00 0.00 H ATOM 195 H LYS A 20 88.808 54.231 7.235 1.00 0.00 H ATOM 196 N GLU A 21 85.470 52.226 7.585 1.00 15.39 N ATOM 197 CA GLU A 21 84.156 52.559 7.061 1.00 20.90 C ATOM 198 C GLU A 21 83.311 53.139 8.186 1.00 18.11 C ATOM 199 O GLU A 21 83.330 52.630 9.311 1.00 16.73 O ATOM 200 CB GLU A 21 83.483 51.310 6.479 1.00 22.98 C ATOM 201 CG GLU A 21 82.202 51.570 5.720 1.00 29.19 C ATOM 202 CD GLU A 21 81.821 50.397 4.830 1.00 37.37 C ATOM 203 OE1 GLU A 21 82.203 50.417 3.642 1.00 36.02 O ATOM 204 OE2 GLU A 21 81.160 49.454 5.324 1.00 31.76 O ATOM 205 H GLU A 21 85.580 51.345 8.126 1.00 0.00 H ATOM 206 N ALA A 22 82.593 54.220 7.889 1.00 17.56 N ATOM 207 CA ALA A 22 81.754 54.881 8.877 1.00 12.98 C ATOM 208 C ALA A 22 80.444 55.319 8.236 1.00 15.68 C ATOM 209 O ALA A 22 80.354 55.516 7.022 1.00 16.65 O ATOM 210 CB ALA A 22 82.457 56.090 9.498 1.00 15.76 C ATOM 211 H ALA A 22 82.633 54.603 6.923 1.00 0.00 H ATOM 212 N LEU A 23 79.425 55.472 9.088 1.00 14.95 N ATOM 213 CA LEU A 23 78.077 55.870 8.695 1.00 12.54 C ATOM 214 C LEU A 23 77.883 57.368 8.907 1.00 12.34 C ATOM 215 O LEU A 23 78.094 57.873 10.017 1.00 12.50 O ATOM 216 CB LEU A 23 77.040 55.106 9.523 1.00 16.66 C ATOM 217 CG LEU A 23 75.571 55.412 9.265 1.00 17.24 C ATOM 218 CD1 LEU A 23 75.146 54.870 7.911 1.00 15.45 C ATOM 219 CD2 LEU A 23 74.719 54.771 10.369 1.00 18.66 C ATOM 220 H LEU A 23 79.605 55.296 10.097 1.00 0.00 H ATOM 221 N LEU A 24 77.446 58.064 7.855 1.00 15.24 N ATOM 222 CA LEU A 24 77.077 59.476 7.941 1.00 15.91 C ATOM 223 C LEU A 24 75.707 59.574 8.600 1.00 15.49 C ATOM 224 O LEU A 24 74.691 59.151 8.028 1.00 16.94 O ATOM 225 CB LEU A 24 77.061 60.112 6.558 1.00 14.22 C ATOM 226 CG LEU A 24 78.368 60.061 5.769 1.00 17.30 C ATOM 227 CD1 LEU A 24 78.179 60.846 4.465 1.00 19.57 C ATOM 228 CD2 LEU A 24 79.539 60.616 6.584 1.00 17.13 C ATOM 229 H LEU A 24 77.365 57.582 6.937 1.00 0.00 H ATOM 230 N ASP A 25 75.674 60.146 9.797 1.00 9.95 N ATOM 231 CA ASP A 25 74.548 59.989 10.717 1.00 12.30 C ATOM 232 C ASP A 25 74.047 61.361 11.160 1.00 13.27 C ATOM 233 O ASP A 25 74.525 61.901 12.158 1.00 9.63 O ATOM 234 CB ASP A 25 75.007 59.135 11.900 1.00 16.60 C ATOM 235 CG ASP A 25 73.877 58.696 12.792 1.00 11.71 C ATOM 236 OD1 ASP A 25 72.729 59.197 12.653 1.00 13.88 O ATOM 237 OD2 ASP A 25 74.164 57.844 13.655 1.00 11.75 O ATOM 238 H ASP A 25 76.482 60.730 10.093 1.00 0.00 H ATOM 239 N THR A 26 73.063 61.912 10.439 1.00 12.80 N ATOM 240 CA THR A 26 72.577 63.242 10.797 1.00 9.72 C ATOM 241 C THR A 26 71.853 63.252 12.142 1.00 11.53 C ATOM 242 O THR A 26 71.684 64.323 12.739 1.00 12.34 O ATOM 243 CB THR A 26 71.684 63.788 9.680 1.00 9.45 C ATOM 244 OG1 THR A 26 70.617 62.877 9.391 1.00 11.63 O ATOM 245 CG2 THR A 26 72.508 64.028 8.419 1.00 11.16 C ATOM 246 HG1 THR A 26 70.068 62.745 10.204 1.00 0.00 H ATOM 247 H THR A 26 72.650 61.399 9.634 1.00 0.00 H ATOM 248 N GLY A 27 71.482 62.093 12.660 1.00 12.04 N ATOM 249 CA GLY A 27 70.845 61.991 13.952 1.00 12.12 C ATOM 250 C GLY A 27 71.804 61.897 15.110 1.00 12.35 C ATOM 251 O GLY A 27 71.380 61.756 16.259 1.00 12.52 O ATOM 252 H GLY A 27 71.655 61.223 12.117 1.00 0.00 H ATOM 253 N ALA A 28 73.098 61.954 14.847 1.00 11.08 N ATOM 254 CA ALA A 28 74.103 61.864 15.892 1.00 13.77 C ATOM 255 C ALA A 28 74.680 63.253 16.102 1.00 13.42 C ATOM 256 O ALA A 28 75.130 63.882 15.141 1.00 13.02 O ATOM 257 CB ALA A 28 75.202 60.872 15.511 1.00 15.20 C ATOM 258 H ALA A 28 73.407 62.067 13.860 1.00 0.00 H ATOM 259 N ASP A 29 74.618 63.752 17.340 1.00 13.44 N ATOM 260 CA ASP A 29 75.292 65.009 17.641 1.00 14.75 C ATOM 261 C ASP A 29 76.796 64.835 17.520 1.00 15.62 C ATOM 262 O ASP A 29 77.505 65.743 17.072 1.00 14.80 O ATOM 263 CB ASP A 29 74.964 65.500 19.057 1.00 15.15 C ATOM 264 CG ASP A 29 73.490 65.714 19.300 1.00 16.49 C ATOM 265 OD1 ASP A 29 72.691 65.850 18.355 1.00 16.31 O ATOM 266 OD2 ASP A 29 73.142 65.775 20.487 1.00 19.88 O ATOM 267 H ASP A 29 74.093 63.248 18.083 1.00 0.00 H ATOM 268 N ASP A 30 77.284 63.662 17.916 1.00 13.26 N ATOM 269 CA ASP A 30 78.690 63.389 18.114 1.00 13.29 C ATOM 270 C ASP A 30 79.133 62.238 17.226 1.00 12.73 C ATOM 271 O ASP A 30 78.322 61.488 16.677 1.00 14.51 O ATOM 272 CB ASP A 30 78.963 63.052 19.584 1.00 18.34 C ATOM 273 CG ASP A 30 78.467 64.129 20.520 1.00 20.86 C ATOM 274 OD1 ASP A 30 78.786 65.304 20.269 1.00 23.75 O ATOM 275 OD2 ASP A 30 77.749 63.801 21.491 1.00 29.81 O ATOM 276 H ASP A 30 76.610 62.891 18.095 1.00 0.00 H ATOM 277 N THR A 31 80.445 62.119 17.087 1.00 16.29 N ATOM 278 CA THR A 31 81.064 61.076 16.288 1.00 14.40 C ATOM 279 C THR A 31 81.578 59.996 17.232 1.00 18.65 C ATOM 280 O THR A 31 82.331 60.284 18.167 1.00 18.53 O ATOM 281 CB THR A 31 82.188 61.660 15.432 1.00 15.11 C ATOM 282 OG1 THR A 31 81.620 62.506 14.438 1.00 15.98 O ATOM 283 CG2 THR A 31 82.990 60.580 14.757 1.00 17.84 C ATOM 284 HG1 THR A 31 81.118 63.238 14.877 1.00 0.00 H ATOM 285 H THR A 31 81.060 62.803 17.572 1.00 0.00 H ATOM 286 N VAL A 32 81.148 58.758 17.003 1.00 17.87 N ATOM 287 CA VAL A 32 81.511 57.642 17.860 1.00 20.87 C ATOM 288 C VAL A 32 82.070 56.537 16.983 1.00 15.34 C ATOM 289 O VAL A 32 81.411 56.102 16.032 1.00 15.31 O ATOM 290 CB VAL A 32 80.314 57.115 18.673 1.00 11.39 C ATOM 291 CG1 VAL A 32 80.805 56.148 19.750 1.00 13.96 C ATOM 292 CG2 VAL A 32 79.508 58.255 19.255 1.00 16.29 C ATOM 293 H VAL A 32 80.532 58.583 16.184 1.00 0.00 H ATOM 294 N LEU A 33 83.274 56.080 17.308 1.00 13.55 N ATOM 295 CA LEU A 33 83.950 55.037 16.556 1.00 12.64 C ATOM 296 C LEU A 33 84.207 53.844 17.455 1.00 19.24 C ATOM 297 O LEU A 33 84.362 53.983 18.670 1.00 14.60 O ATOM 298 CB LEU A 33 85.276 55.502 15.998 1.00 20.84 C ATOM 299 CG LEU A 33 85.264 56.788 15.190 1.00 13.07 C ATOM 300 CD1 LEU A 33 86.665 57.068 14.741 1.00 25.63 C ATOM 301 CD2 LEU A 33 84.349 56.647 13.988 1.00 17.55 C ATOM 302 H LEU A 33 83.753 56.486 18.137 1.00 0.00 H ATOM 303 N GLU A 34 84.237 52.670 16.836 1.00 20.97 N ATOM 304 CA GLU A 34 84.496 51.440 17.553 1.00 17.64 C ATOM 305 C GLU A 34 85.897 51.479 18.151 1.00 21.98 C ATOM 306 O GLU A 34 86.738 52.324 17.812 1.00 18.78 O ATOM 307 CB GLU A 34 84.341 50.238 16.620 1.00 17.60 C ATOM 308 CG GLU A 34 83.025 50.204 15.860 1.00 24.50 C ATOM 309 CD GLU A 34 83.001 49.113 14.803 1.00 32.11 C ATOM 310 OE1 GLU A 34 83.970 49.026 14.013 1.00 35.91 O ATOM 311 OE2 GLU A 34 82.030 48.332 14.791 1.00 37.38 O ATOM 312 H GLU A 34 84.070 52.633 15.810 1.00 0.00 H ATOM 313 N GLU A 35 86.132 50.536 19.055 1.00 23.01 N ATOM 314 CA GLU A 35 87.373 50.480 19.810 1.00 23.54 C ATOM 315 C GLU A 35 88.559 50.533 18.871 1.00 23.10 C ATOM 316 O GLU A 35 88.570 49.870 17.839 1.00 20.40 O ATOM 317 CB GLU A 35 87.421 49.195 20.641 1.00 27.76 C ATOM 318 CG GLU A 35 88.413 49.266 21.780 1.00 36.12 C ATOM 319 CD GLU A 35 88.102 50.410 22.721 1.00 44.73 C ATOM 320 OE1 GLU A 35 86.961 50.474 23.246 1.00 39.60 O ATOM 321 OE2 GLU A 35 88.996 51.265 22.895 1.00 46.67 O ATOM 322 H GLU A 35 85.404 49.813 19.229 1.00 0.00 H ATOM 323 N MET A 36 89.543 51.355 19.221 1.00 29.71 N ATOM 324 CA MET A 36 90.751 51.499 18.423 1.00 37.10 C ATOM 325 C MET A 36 91.761 52.258 19.266 1.00 35.16 C ATOM 326 O MET A 36 91.394 52.963 20.208 1.00 29.08 O ATOM 327 CB MET A 36 90.481 52.240 17.103 1.00 27.50 C ATOM 328 CG MET A 36 90.282 53.745 17.284 1.00 33.39 C ATOM 329 SD MET A 36 90.025 54.650 15.769 1.00 32.82 S ATOM 330 CE MET A 36 91.573 54.349 14.926 1.00 35.35 C ATOM 331 H MET A 36 89.446 51.913 20.093 1.00 0.00 H ATOM 332 N ASN A 37 93.034 52.110 18.915 1.00 36.70 N ATOM 333 CA ASN A 37 94.090 52.889 19.545 1.00 37.13 C ATOM 334 C ASN A 37 94.249 54.218 18.819 1.00 43.06 C ATOM 335 O ASN A 37 94.461 54.252 17.601 1.00 40.44 O ATOM 336 CB ASN A 37 95.413 52.130 19.537 1.00 41.19 C ATOM 337 CG ASN A 37 95.341 50.835 20.305 1.00 48.25 C ATOM 338 OD1 ASN A 37 95.470 49.753 19.727 1.00 55.64 O ATOM 339 ND2 ASN A 37 95.131 50.932 21.620 1.00 43.88 N ATOM 340 HD22 ASN A 37 95.028 51.868 22.063 1.00 0.00 H ATOM 341 HD21 ASN A 37 95.070 50.072 22.202 1.00 0.00 H ATOM 342 H ASN A 37 93.281 51.423 18.174 1.00 0.00 H ATOM 343 N LEU A 38 94.142 55.306 19.570 1.00 33.01 N ATOM 344 CA LEU A 38 94.379 56.634 19.047 1.00 34.77 C ATOM 345 C LEU A 38 95.417 57.318 19.921 1.00 35.14 C ATOM 346 O LEU A 38 95.358 57.206 21.150 1.00 41.67 O ATOM 347 CB LEU A 38 93.098 57.481 19.021 1.00 37.11 C ATOM 348 CG LEU A 38 92.164 57.355 17.820 1.00 37.16 C ATOM 349 CD1 LEU A 38 90.983 58.311 17.978 1.00 32.88 C ATOM 350 CD2 LEU A 38 92.889 57.647 16.523 1.00 35.58 C ATOM 351 H LEU A 38 93.878 55.201 20.571 1.00 0.00 H ATOM 352 N PRO A 39 96.374 58.021 19.330 1.00 44.03 N ATOM 353 CA PRO A 39 97.369 58.730 20.137 1.00 47.08 C ATOM 354 C PRO A 39 96.806 60.015 20.726 1.00 37.81 C ATOM 355 O PRO A 39 95.851 60.606 20.218 1.00 45.03 O ATOM 356 CB PRO A 39 98.488 59.023 19.134 1.00 50.56 C ATOM 357 CG PRO A 39 97.777 59.146 17.831 1.00 51.54 C ATOM 358 CD PRO A 39 96.621 58.183 17.884 1.00 40.82 C ATOM 359 N GLY A 40 97.436 60.448 21.811 1.00 49.19 N ATOM 360 CA GLY A 40 97.029 61.643 22.518 1.00 49.28 C ATOM 361 C GLY A 40 96.279 61.311 23.793 1.00 33.48 C ATOM 362 O GLY A 40 95.903 60.169 24.060 1.00 39.15 O ATOM 363 H GLY A 40 98.252 59.909 22.166 1.00 0.00 H ATOM 364 N ARG A 41 96.063 62.348 24.590 1.00 41.94 N ATOM 365 CA ARG A 41 95.334 62.203 25.833 1.00 37.63 C ATOM 366 C ARG A 41 93.847 62.037 25.541 1.00 40.07 C ATOM 367 O ARG A 41 93.344 62.435 24.486 1.00 41.80 O ATOM 368 CB ARG A 41 95.569 63.415 26.731 1.00 35.48 C ATOM 369 H ARG A 41 96.424 63.284 24.317 1.00 0.00 H ATOM 370 N TRP A 42 93.144 61.427 26.489 1.00 44.36 N ATOM 371 CA TRP A 42 91.718 61.201 26.335 1.00 38.71 C ATOM 372 C TRP A 42 91.062 61.274 27.704 1.00 42.29 C ATOM 373 O TRP A 42 91.664 60.899 28.714 1.00 48.18 O ATOM 374 CB TRP A 42 91.437 59.847 25.673 1.00 37.67 C ATOM 375 CG TRP A 42 91.944 58.654 26.442 1.00 36.04 C ATOM 376 CD1 TRP A 42 93.079 57.942 26.195 1.00 34.96 C ATOM 377 CD2 TRP A 42 91.320 58.032 27.566 1.00 31.61 C ATOM 378 NE1 TRP A 42 93.202 56.915 27.092 1.00 37.58 N ATOM 379 CE2 TRP A 42 92.140 56.953 27.955 1.00 38.35 C ATOM 380 CE3 TRP A 42 90.150 58.284 28.287 1.00 36.50 C ATOM 381 CZ2 TRP A 42 91.822 56.123 29.027 1.00 40.12 C ATOM 382 CZ3 TRP A 42 89.837 57.453 29.359 1.00 41.65 C ATOM 383 CH2 TRP A 42 90.669 56.391 29.716 1.00 41.18 C ATOM 384 HE1 TRP A 42 93.975 56.220 27.114 1.00 0.00 H ATOM 385 H TRP A 42 93.623 61.106 27.355 1.00 0.00 H ATOM 386 N LYS A 43 89.819 61.767 27.729 1.00 34.45 N ATOM 387 CA LYS A 43 89.060 61.796 28.960 1.00 29.41 C ATOM 388 C LYS A 43 87.886 60.814 28.897 1.00 32.57 C ATOM 389 O LYS A 43 87.222 60.697 27.863 1.00 25.48 O ATOM 390 CB LYS A 43 88.536 63.211 29.257 1.00 35.38 C ATOM 391 CG LYS A 43 87.740 63.842 28.131 1.00 45.24 C ATOM 392 CD LYS A 43 87.221 65.233 28.497 1.00 52.58 C ATOM 393 CE LYS A 43 88.244 66.332 28.234 1.00 56.35 C ATOM 394 NZ LYS A 43 87.648 67.691 28.437 1.00 58.53 N ATOM 395 HZ1 LYS A 43 86.849 67.819 27.784 1.00 0.00 H ATOM 396 HZ2 LYS A 43 87.313 67.778 29.418 1.00 0.00 H ATOM 397 HZ3 LYS A 43 88.370 68.416 28.250 1.00 0.00 H ATOM 398 H LYS A 43 89.393 62.134 26.854 1.00 0.00 H ATOM 399 N PRO A 44 87.604 60.091 29.971 1.00 33.87 N ATOM 400 CA PRO A 44 86.418 59.236 29.967 1.00 32.73 C ATOM 401 C PRO A 44 85.162 60.085 29.956 1.00 34.79 C ATOM 402 O PRO A 44 85.101 61.135 30.605 1.00 25.85 O ATOM 403 CB PRO A 44 86.553 58.438 31.266 1.00 33.99 C ATOM 404 CG PRO A 44 87.364 59.325 32.154 1.00 30.38 C ATOM 405 CD PRO A 44 88.293 60.073 31.272 1.00 33.49 C ATOM 406 N LYS A 45 84.166 59.625 29.195 1.00 27.68 N ATOM 407 CA LYS A 45 82.881 60.307 29.073 1.00 23.92 C ATOM 408 C LYS A 45 81.782 59.267 28.900 1.00 26.21 C ATOM 409 O LYS A 45 82.043 58.102 28.601 1.00 24.77 O ATOM 410 CB LYS A 45 82.868 61.277 27.894 1.00 27.87 C ATOM 411 CG LYS A 45 83.672 62.537 28.127 1.00 41.32 C ATOM 412 CD LYS A 45 82.958 63.475 29.092 1.00 45.78 C ATOM 413 CE LYS A 45 83.785 64.729 29.377 1.00 46.18 C ATOM 414 NZ LYS A 45 83.599 65.790 28.349 1.00 54.25 N ATOM 415 HZ1 LYS A 45 83.887 65.424 27.419 1.00 0.00 H ATOM 416 HZ2 LYS A 45 82.598 66.070 28.318 1.00 0.00 H ATOM 417 HZ3 LYS A 45 84.183 66.615 28.594 1.00 0.00 H ATOM 418 H LYS A 45 84.312 58.742 28.666 1.00 0.00 H ATOM 419 N MET A 46 80.543 59.711 29.087 1.00 22.87 N ATOM 420 CA MET A 46 79.350 58.898 28.879 1.00 23.95 C ATOM 421 C MET A 46 78.539 59.494 27.733 1.00 26.53 C ATOM 422 O MET A 46 78.381 60.715 27.653 1.00 22.96 O ATOM 423 CB MET A 46 78.482 58.875 30.136 1.00 30.04 C ATOM 424 CG MET A 46 79.173 58.352 31.385 1.00 34.51 C ATOM 425 SD MET A 46 79.546 56.602 31.276 1.00 32.19 S ATOM 426 CE MET A 46 77.902 55.924 31.126 1.00 29.94 C ATOM 427 H MET A 46 80.417 60.695 29.400 1.00 0.00 H ATOM 428 N ILE A 47 77.999 58.641 26.858 1.00 20.19 N ATOM 429 CA ILE A 47 77.066 59.092 25.826 1.00 23.67 C ATOM 430 C ILE A 47 75.884 58.144 25.748 1.00 18.57 C ATOM 431 O ILE A 47 76.024 56.928 25.908 1.00 22.38 O ATOM 432 CB ILE A 47 77.715 59.199 24.429 1.00 25.12 C ATOM 433 CG1 ILE A 47 78.422 57.891 24.074 1.00 24.89 C ATOM 434 CG2 ILE A 47 78.656 60.372 24.374 1.00 36.33 C ATOM 435 CD1 ILE A 47 78.673 57.736 22.619 1.00 38.20 C ATOM 436 H ILE A 47 78.248 57.633 26.912 1.00 0.00 H ATOM 437 N GLY A 48 74.727 58.703 25.437 1.00 19.01 N ATOM 438 CA GLY A 48 73.489 57.944 25.376 1.00 26.82 C ATOM 439 C GLY A 48 72.871 57.997 23.992 1.00 22.48 C ATOM 440 O GLY A 48 72.895 59.042 23.330 1.00 21.21 O ATOM 441 H GLY A 48 74.702 59.722 25.229 1.00 0.00 H ATOM 442 N GLY A 49 72.319 56.864 23.569 1.00 20.01 N ATOM 443 CA GLY A 49 71.571 56.748 22.339 1.00 18.76 C ATOM 444 C GLY A 49 70.223 56.083 22.582 1.00 22.17 C ATOM 445 O GLY A 49 69.650 56.162 23.668 1.00 18.78 O ATOM 446 H GLY A 49 72.432 56.014 24.157 1.00 0.00 H ATOM 447 N VAL A 50 69.728 55.406 21.542 1.00 14.96 N ATOM 448 CA VAL A 50 68.389 54.837 21.609 1.00 21.52 C ATOM 449 C VAL A 50 68.298 53.797 22.716 1.00 18.33 C ATOM 450 O VAL A 50 67.237 53.607 23.314 1.00 25.71 O ATOM 451 CB VAL A 50 67.983 54.239 20.245 1.00 20.02 C ATOM 452 CG1 VAL A 50 68.577 52.839 20.047 1.00 22.87 C ATOM 453 CG2 VAL A 50 66.489 54.190 20.128 1.00 27.26 C ATOM 454 H VAL A 50 70.300 55.285 20.682 1.00 0.00 H ATOM 455 N GLY A 51 69.386 53.105 23.001 1.00 20.44 N ATOM 456 CA GLY A 51 69.315 51.972 23.896 1.00 22.05 C ATOM 457 C GLY A 51 69.826 52.203 25.290 1.00 20.48 C ATOM 458 O GLY A 51 69.762 51.289 26.111 1.00 26.19 O ATOM 459 H GLY A 51 70.297 53.376 22.580 1.00 0.00 H ATOM 460 N GLY A 52 70.323 53.392 25.597 1.00 21.14 N ATOM 461 CA GLY A 52 70.938 53.637 26.878 1.00 24.84 C ATOM 462 C GLY A 52 72.271 54.313 26.699 1.00 21.51 C ATOM 463 O GLY A 52 72.563 54.878 25.643 1.00 16.31 O ATOM 464 H GLY A 52 70.269 54.163 24.901 1.00 0.00 H ATOM 465 N PHE A 53 73.098 54.228 27.735 1.00 17.79 N ATOM 466 CA PHE A 53 74.328 54.991 27.823 1.00 19.62 C ATOM 467 C PHE A 53 75.528 54.069 27.818 1.00 14.21 C ATOM 468 O PHE A 53 75.476 52.969 28.374 1.00 19.09 O ATOM 469 CB PHE A 53 74.339 55.831 29.085 1.00 15.43 C ATOM 470 CG PHE A 53 73.437 57.012 29.008 1.00 22.00 C ATOM 471 CD1 PHE A 53 72.062 56.852 29.057 1.00 22.85 C ATOM 472 CD2 PHE A 53 73.957 58.287 28.856 1.00 23.93 C ATOM 473 CE1 PHE A 53 71.219 57.946 28.970 1.00 27.52 C ATOM 474 CE2 PHE A 53 73.105 59.387 28.778 1.00 25.31 C ATOM 475 CZ PHE A 53 71.745 59.211 28.832 1.00 28.91 C ATOM 476 H PHE A 53 72.853 53.587 28.516 1.00 0.00 H ATOM 477 N ILE A 54 76.614 54.535 27.201 1.00 18.61 N ATOM 478 CA ILE A 54 77.861 53.779 27.139 1.00 23.42 C ATOM 479 C ILE A 54 79.015 54.660 27.593 1.00 22.84 C ATOM 480 O ILE A 54 78.964 55.887 27.502 1.00 21.11 O ATOM 481 CB ILE A 54 78.148 53.210 25.725 1.00 18.12 C ATOM 482 CG1 ILE A 54 78.297 54.307 24.673 1.00 14.97 C ATOM 483 CG2 ILE A 54 77.041 52.270 25.302 1.00 20.37 C ATOM 484 CD1 ILE A 54 78.881 53.800 23.327 1.00 21.77 C ATOM 485 H ILE A 54 76.571 55.470 26.748 1.00 0.00 H ATOM 486 N LYS A 55 80.073 54.002 28.070 1.00 23.39 N ATOM 487 CA LYS A 55 81.333 54.652 28.403 1.00 22.74 C ATOM 488 C LYS A 55 82.165 54.766 27.141 1.00 19.45 C ATOM 489 O LYS A 55 82.311 53.788 26.404 1.00 19.69 O ATOM 490 CB LYS A 55 82.126 53.861 29.455 1.00 28.31 C ATOM 491 CG LYS A 55 81.587 53.893 30.879 1.00 38.95 C ATOM 492 CD LYS A 55 82.436 53.012 31.826 1.00 45.91 C ATOM 493 CE LYS A 55 81.640 52.580 33.077 1.00 54.43 C ATOM 494 NZ LYS A 55 82.448 52.336 34.313 1.00 45.38 N ATOM 495 HZ1 LYS A 55 83.137 51.579 34.131 1.00 0.00 H ATOM 496 HZ2 LYS A 55 82.950 53.208 34.575 1.00 0.00 H ATOM 497 HZ3 LYS A 55 81.816 52.052 35.089 1.00 0.00 H ATOM 498 H LYS A 55 79.994 52.975 28.211 1.00 0.00 H ATOM 499 N VAL A 56 82.721 55.956 26.903 1.00 18.13 N ATOM 500 CA VAL A 56 83.617 56.198 25.782 1.00 21.85 C ATOM 501 C VAL A 56 84.818 57.011 26.244 1.00 25.87 C ATOM 502 O VAL A 56 84.795 57.668 27.285 1.00 27.98 O ATOM 503 CB VAL A 56 82.924 56.941 24.624 1.00 24.79 C ATOM 504 CG1 VAL A 56 81.760 56.118 24.094 1.00 17.89 C ATOM 505 CG2 VAL A 56 82.454 58.305 25.080 1.00 19.49 C ATOM 506 H VAL A 56 82.505 56.744 27.546 1.00 0.00 H ATOM 507 N ARG A 57 85.864 56.981 25.425 1.00 20.42 N ATOM 508 CA ARG A 57 87.037 57.817 25.602 1.00 21.44 C ATOM 509 C ARG A 57 86.915 58.954 24.611 1.00 23.77 C ATOM 510 O ARG A 57 86.710 58.717 23.418 1.00 22.75 O ATOM 511 CB ARG A 57 88.330 57.030 25.367 1.00 27.66 C ATOM 512 CG ARG A 57 88.368 55.691 26.104 1.00 31.23 C ATOM 513 CD ARG A 57 89.756 55.049 26.108 1.00 36.71 C ATOM 514 NE ARG A 57 90.422 55.045 24.808 1.00 39.49 N ATOM 515 CZ ARG A 57 90.348 54.065 23.910 1.00 45.44 C ATOM 516 NH1 ARG A 57 91.009 54.159 22.762 1.00 39.19 N ATOM 517 NH2 ARG A 57 89.616 52.987 24.143 1.00 41.46 N ATOM 518 HE ARG A 57 91.000 55.874 24.564 1.00 0.00 H ATOM 519 HH12 ARG A 57 90.949 53.391 22.063 1.00 0.00 H ATOM 520 HH11 ARG A 57 91.587 55.000 22.562 1.00 0.00 H ATOM 521 HH22 ARG A 57 89.567 52.229 23.433 1.00 0.00 H ATOM 522 HH21 ARG A 57 89.090 52.898 25.036 1.00 0.00 H ATOM 523 H ARG A 57 85.841 56.326 24.617 1.00 0.00 H ATOM 524 N GLN A 58 87.001 60.179 25.104 1.00 20.86 N ATOM 525 CA GLN A 58 86.875 61.354 24.265 1.00 21.46 C ATOM 526 C GLN A 58 88.262 61.828 23.852 1.00 23.85 C ATOM 527 O GLN A 58 89.088 62.156 24.710 1.00 23.82 O ATOM 528 CB GLN A 58 86.115 62.448 25.000 1.00 20.94 C ATOM 529 CG GLN A 58 85.973 63.708 24.192 1.00 24.43 C ATOM 530 CD GLN A 58 85.267 64.800 24.959 1.00 26.72 C ATOM 531 OE1 GLN A 58 84.288 64.549 25.649 1.00 31.30 O ATOM 532 NE2 GLN A 58 85.769 66.017 24.849 1.00 31.79 N ATOM 533 HE22 GLN A 58 86.603 66.183 24.250 1.00 0.00 H ATOM 534 HE21 GLN A 58 85.330 66.809 25.361 1.00 0.00 H ATOM 535 H GLN A 58 87.164 60.302 26.124 1.00 0.00 H ATOM 536 N TYR A 59 88.512 61.831 22.544 1.00 25.00 N ATOM 537 CA TYR A 59 89.709 62.406 21.945 1.00 19.10 C ATOM 538 C TYR A 59 89.356 63.739 21.306 1.00 26.99 C ATOM 539 O TYR A 59 88.441 63.811 20.485 1.00 23.97 O ATOM 540 CB TYR A 59 90.293 61.478 20.881 1.00 22.41 C ATOM 541 CG TYR A 59 90.831 60.199 21.429 1.00 21.07 C ATOM 542 CD1 TYR A 59 89.990 59.125 21.681 1.00 28.46 C ATOM 543 CD2 TYR A 59 92.184 60.057 21.715 1.00 28.86 C ATOM 544 CE1 TYR A 59 90.479 57.949 22.193 1.00 29.30 C ATOM 545 CE2 TYR A 59 92.682 58.880 22.232 1.00 30.20 C ATOM 546 CZ TYR A 59 91.828 57.833 22.467 1.00 31.04 C ATOM 547 OH TYR A 59 92.322 56.666 22.977 1.00 31.84 O ATOM 548 HH TYR A 59 91.583 56.016 23.087 1.00 0.00 H ATOM 549 H TYR A 59 87.810 61.396 21.912 1.00 0.00 H ATOM 550 N ASP A 60 90.096 64.780 21.647 1.00 29.78 N ATOM 551 CA ASP A 60 89.821 66.107 21.121 1.00 21.27 C ATOM 552 C ASP A 60 90.810 66.483 20.031 1.00 20.04 C ATOM 553 O ASP A 60 91.932 65.977 19.983 1.00 24.76 O ATOM 554 CB ASP A 60 89.861 67.137 22.240 1.00 29.78 C ATOM 555 CG ASP A 60 88.651 67.048 23.140 1.00 36.40 C ATOM 556 OD1 ASP A 60 87.551 66.773 22.610 1.00 33.04 O ATOM 557 OD2 ASP A 60 88.797 67.236 24.366 1.00 39.17 O ATOM 558 H ASP A 60 90.891 64.647 22.305 1.00 0.00 H ATOM 559 N GLN A 61 90.358 67.365 19.139 1.00 21.39 N ATOM 560 CA GLN A 61 91.156 67.921 18.043 1.00 20.70 C ATOM 561 C GLN A 61 91.878 66.839 17.239 1.00 25.44 C ATOM 562 O GLN A 61 93.063 66.955 16.925 1.00 21.48 O ATOM 563 CB GLN A 61 92.151 68.953 18.570 1.00 23.98 C ATOM 564 CG GLN A 61 91.708 70.372 18.333 1.00 30.62 C ATOM 565 CD GLN A 61 92.749 71.374 18.774 1.00 37.51 C ATOM 566 OE1 GLN A 61 92.635 71.958 19.846 1.00 40.20 O ATOM 567 NE2 GLN A 61 93.772 71.584 17.940 1.00 32.84 N ATOM 568 HE22 GLN A 61 93.825 71.064 17.041 1.00 0.00 H ATOM 569 HE21 GLN A 61 94.515 72.267 18.190 1.00 0.00 H ATOM 570 H GLN A 61 89.371 67.680 19.227 1.00 0.00 H ATOM 571 N ILE A 62 91.130 65.796 16.856 1.00 22.25 N ATOM 572 CA ILE A 62 91.668 64.687 16.072 1.00 23.84 C ATOM 573 C ILE A 62 91.481 64.969 14.597 1.00 22.26 C ATOM 574 O ILE A 62 90.400 65.378 14.166 1.00 23.03 O ATOM 575 CB ILE A 62 90.987 63.350 16.436 1.00 21.87 C ATOM 576 CG1 ILE A 62 91.232 62.982 17.899 1.00 26.21 C ATOM 577 CG2 ILE A 62 91.494 62.240 15.523 1.00 26.79 C ATOM 578 CD1 ILE A 62 92.688 62.790 18.261 1.00 38.77 C ATOM 579 H ILE A 62 90.126 65.775 17.128 1.00 0.00 H ATOM 580 N LEU A 63 92.512 64.675 13.808 1.00 16.40 N ATOM 581 CA LEU A 63 92.394 64.732 12.359 1.00 16.56 C ATOM 582 C LEU A 63 91.637 63.512 11.860 1.00 19.97 C ATOM 583 O LEU A 63 91.932 62.381 12.246 1.00 20.62 O ATOM 584 CB LEU A 63 93.769 64.800 11.699 1.00 23.96 C ATOM 585 H LEU A 63 93.419 64.399 14.235 1.00 0.00 H ATOM 586 N ILE A 64 90.664 63.744 10.995 1.00 16.97 N ATOM 587 CA ILE A 64 89.899 62.664 10.396 1.00 20.37 C ATOM 588 C ILE A 64 89.450 63.129 9.025 1.00 22.95 C ATOM 589 O ILE A 64 88.937 64.241 8.876 1.00 26.71 O ATOM 590 CB ILE A 64 88.710 62.262 11.288 1.00 22.92 C ATOM 591 CG1 ILE A 64 87.790 61.293 10.560 1.00 22.71 C ATOM 592 CG2 ILE A 64 87.950 63.504 11.741 1.00 29.44 C ATOM 593 CD1 ILE A 64 86.792 60.626 11.494 1.00 29.41 C ATOM 594 H ILE A 64 90.440 64.726 10.737 1.00 0.00 H ATOM 595 N GLU A 65 89.694 62.304 8.016 1.00 19.30 N ATOM 596 CA GLU A 65 89.319 62.619 6.647 1.00 23.25 C ATOM 597 C GLU A 65 88.143 61.751 6.234 1.00 21.49 C ATOM 598 O GLU A 65 88.208 60.524 6.335 1.00 23.50 O ATOM 599 CB GLU A 65 90.495 62.411 5.691 1.00 29.20 C ATOM 600 CG GLU A 65 90.228 62.922 4.281 1.00 29.69 C ATOM 601 CD GLU A 65 91.474 62.903 3.411 1.00 38.75 C ATOM 602 OE1 GLU A 65 92.531 62.417 3.882 1.00 27.28 O ATOM 603 OE2 GLU A 65 91.390 63.378 2.261 1.00 34.79 O ATOM 604 H GLU A 65 90.170 61.400 8.211 1.00 0.00 H ATOM 605 N ILE A 66 87.075 62.392 5.769 1.00 22.57 N ATOM 606 CA ILE A 66 85.813 61.729 5.484 1.00 17.81 C ATOM 607 C ILE A 66 85.565 61.863 4.000 1.00 19.47 C ATOM 608 O ILE A 66 85.323 62.969 3.507 1.00 24.17 O ATOM 609 CB ILE A 66 84.647 62.324 6.287 1.00 20.94 C ATOM 610 CG1 ILE A 66 84.867 62.131 7.785 1.00 21.30 C ATOM 611 CG2 ILE A 66 83.337 61.682 5.896 1.00 20.84 C ATOM 612 CD1 ILE A 66 84.260 63.222 8.609 1.00 24.87 C ATOM 613 H ILE A 66 87.146 63.416 5.601 1.00 0.00 H ATOM 614 N CYS A 67 85.611 60.745 3.286 1.00 24.30 N ATOM 615 CA CYS A 67 85.314 60.739 1.865 1.00 31.98 C ATOM 616 C CYS A 67 86.000 61.923 1.181 1.00 32.15 C ATOM 617 O CYS A 67 85.402 62.663 0.399 1.00 37.26 O ATOM 618 CB CYS A 67 83.798 60.759 1.646 1.00 28.94 C ATOM 619 SG CYS A 67 83.252 60.321 0.024 1.00 46.51 S ATOM 620 H CYS A 67 85.866 59.853 3.755 1.00 0.00 H ATOM 621 N GLY A 68 87.270 62.131 1.533 1.00 28.17 N ATOM 622 CA GLY A 68 88.096 63.119 0.865 1.00 29.67 C ATOM 623 C GLY A 68 88.121 64.507 1.476 1.00 34.90 C ATOM 624 O GLY A 68 88.856 65.369 0.973 1.00 32.99 O ATOM 625 H GLY A 68 87.679 61.570 2.307 1.00 0.00 H ATOM 626 N HIS A 69 87.356 64.759 2.537 1.00 29.64 N ATOM 627 CA HIS A 69 87.263 66.084 3.145 1.00 20.85 C ATOM 628 C HIS A 69 87.815 66.016 4.564 1.00 24.04 C ATOM 629 O HIS A 69 87.470 65.105 5.323 1.00 23.07 O ATOM 630 CB HIS A 69 85.819 66.584 3.166 1.00 25.21 C ATOM 631 CG HIS A 69 85.244 66.853 1.807 1.00 25.45 C ATOM 632 ND1 HIS A 69 84.860 68.113 1.397 1.00 31.83 N ATOM 633 CD2 HIS A 69 84.971 66.024 0.774 1.00 26.78 C ATOM 634 CE1 HIS A 69 84.382 68.048 0.168 1.00 27.92 C ATOM 635 NE2 HIS A 69 84.442 66.794 -0.236 1.00 27.55 N ATOM 636 H HIS A 69 86.803 63.981 2.949 1.00 0.00 H ATOM 637 N LYS A 70 88.649 66.984 4.930 1.00 27.06 N ATOM 638 CA LYS A 70 89.331 66.946 6.214 1.00 24.90 C ATOM 639 C LYS A 70 88.501 67.634 7.290 1.00 23.06 C ATOM 640 O LYS A 70 87.850 68.656 7.051 1.00 20.15 O ATOM 641 CB LYS A 70 90.716 67.597 6.133 1.00 29.32 C ATOM 642 CG LYS A 70 91.752 66.837 5.289 1.00 38.07 C ATOM 643 CD LYS A 70 93.137 67.485 5.418 1.00 44.40 C ATOM 644 CE LYS A 70 94.088 67.149 4.263 1.00 58.43 C ATOM 645 NZ LYS A 70 94.901 65.920 4.499 1.00 56.17 N ATOM 646 HZ1 LYS A 70 95.481 66.048 5.353 1.00 0.00 H ATOM 647 HZ2 LYS A 70 94.267 65.106 4.628 1.00 0.00 H ATOM 648 HZ3 LYS A 70 95.520 65.753 3.680 1.00 0.00 H ATOM 649 H LYS A 70 88.817 67.783 4.286 1.00 0.00 H ATOM 650 N ALA A 71 88.505 67.039 8.473 1.00 20.29 N ATOM 651 CA ALA A 71 87.903 67.632 9.650 1.00 18.58 C ATOM 652 C ALA A 71 88.868 67.436 10.804 1.00 16.30 C ATOM 653 O ALA A 71 89.700 66.528 10.776 1.00 19.94 O ATOM 654 CB ALA A 71 86.539 67.002 9.965 1.00 20.67 C ATOM 655 H ALA A 71 88.959 66.107 8.561 1.00 0.00 H ATOM 656 N ILE A 72 88.774 68.314 11.797 1.00 16.11 N ATOM 657 CA ILE A 72 89.573 68.214 13.010 1.00 19.63 C ATOM 658 C ILE A 72 88.637 68.492 14.171 1.00 17.55 C ATOM 659 O ILE A 72 88.202 69.634 14.352 1.00 22.02 O ATOM 660 CB ILE A 72 90.755 69.197 13.032 1.00 18.06 C ATOM 661 CG1 ILE A 72 91.668 68.979 11.828 1.00 22.37 C ATOM 662 CG2 ILE A 72 91.544 69.033 14.318 1.00 20.11 C ATOM 663 CD1 ILE A 72 92.653 70.110 11.593 1.00 25.64 C ATOM 664 H ILE A 72 88.103 69.104 11.704 1.00 0.00 H ATOM 665 N GLY A 73 88.352 67.475 14.974 1.00 16.81 N ATOM 666 CA GLY A 73 87.311 67.623 15.968 1.00 17.37 C ATOM 667 C GLY A 73 87.317 66.503 16.983 1.00 20.63 C ATOM 668 O GLY A 73 88.272 65.730 17.086 1.00 21.29 O ATOM 669 H GLY A 73 88.873 66.579 14.890 1.00 0.00 H ATOM 670 N THR A 74 86.232 66.437 17.748 1.00 17.08 N ATOM 671 CA THR A 74 86.123 65.489 18.841 1.00 20.37 C ATOM 672 C THR A 74 85.632 64.152 18.301 1.00 22.39 C ATOM 673 O THR A 74 84.705 64.103 17.486 1.00 18.60 O ATOM 674 CB THR A 74 85.188 66.013 19.928 1.00 21.74 C ATOM 675 OG1 THR A 74 85.702 67.249 20.429 1.00 25.93 O ATOM 676 CG2 THR A 74 85.105 65.048 21.079 1.00 22.06 C ATOM 677 HG1 THR A 74 86.605 67.100 20.808 1.00 0.00 H ATOM 678 H THR A 74 85.439 67.083 17.558 1.00 0.00 H ATOM 679 N VAL A 75 86.288 63.082 18.734 1.00 25.22 N ATOM 680 CA VAL A 75 85.930 61.714 18.376 1.00 18.43 C ATOM 681 C VAL A 75 85.787 60.927 19.668 1.00 21.09 C ATOM 682 O VAL A 75 86.668 60.980 20.534 1.00 24.45 O ATOM 683 CB VAL A 75 86.991 61.083 17.457 1.00 20.43 C ATOM 684 CG1 VAL A 75 86.745 59.599 17.267 1.00 22.49 C ATOM 685 CG2 VAL A 75 87.006 61.800 16.106 1.00 20.34 C ATOM 686 H VAL A 75 87.103 63.227 19.364 1.00 0.00 H ATOM 687 N LEU A 76 84.671 60.227 19.810 1.00 16.93 N ATOM 688 CA LEU A 76 84.433 59.344 20.939 1.00 17.18 C ATOM 689 C LEU A 76 84.675 57.906 20.505 1.00 19.12 C ATOM 690 O LEU A 76 84.252 57.499 19.420 1.00 19.83 O ATOM 691 CB LEU A 76 83.005 59.517 21.456 1.00 16.84 C ATOM 692 CG LEU A 76 82.593 60.974 21.699 1.00 17.35 C ATOM 693 CD1 LEU A 76 81.147 61.087 22.171 1.00 19.85 C ATOM 694 CD2 LEU A 76 83.521 61.631 22.687 1.00 17.89 C ATOM 695 H LEU A 76 83.934 60.313 19.082 1.00 0.00 H ATOM 696 N VAL A 77 85.374 57.144 21.343 1.00 14.84 N ATOM 697 CA VAL A 77 85.761 55.775 21.023 1.00 17.07 C ATOM 698 C VAL A 77 85.159 54.871 22.083 1.00 18.12 C ATOM 699 O VAL A 77 85.390 55.066 23.280 1.00 18.15 O ATOM 700 CB VAL A 77 87.289 55.606 20.952 1.00 21.77 C ATOM 701 CG1 VAL A 77 87.667 54.140 20.712 1.00 20.43 C ATOM 702 CG2 VAL A 77 87.867 56.505 19.841 1.00 22.80 C ATOM 703 H VAL A 77 85.655 57.541 22.262 1.00 0.00 H ATOM 704 N GLY A 78 84.377 53.898 21.647 1.00 20.16 N ATOM 705 CA GLY A 78 83.815 52.935 22.557 1.00 19.77 C ATOM 706 C GLY A 78 82.916 51.955 21.847 1.00 14.93 C ATOM 707 O GLY A 78 82.927 51.855 20.619 1.00 16.51 O ATOM 708 H GLY A 78 84.165 53.828 20.631 1.00 0.00 H ATOM 709 N PRO A 79 82.119 51.209 22.618 1.00 24.28 N ATOM 710 CA PRO A 79 81.299 50.103 22.073 1.00 19.18 C ATOM 711 C PRO A 79 80.027 50.581 21.374 1.00 19.01 C ATOM 712 O PRO A 79 78.896 50.251 21.754 1.00 22.46 O ATOM 713 CB PRO A 79 81.013 49.264 23.327 1.00 20.10 C ATOM 714 CG PRO A 79 81.053 50.266 24.466 1.00 23.68 C ATOM 715 CD PRO A 79 82.124 51.237 24.095 1.00 16.31 C ATOM 716 N THR A 80 80.210 51.375 20.342 1.00 22.44 N ATOM 717 CA THR A 80 79.128 51.724 19.444 1.00 17.06 C ATOM 718 C THR A 80 78.854 50.563 18.485 1.00 12.58 C ATOM 719 O THR A 80 79.763 49.811 18.129 1.00 19.22 O ATOM 720 CB THR A 80 79.472 52.986 18.653 1.00 17.13 C ATOM 721 OG1 THR A 80 78.446 53.239 17.696 1.00 19.05 O ATOM 722 CG2 THR A 80 80.819 52.838 17.927 1.00 22.08 C ATOM 723 HG1 THR A 80 78.376 52.469 17.078 1.00 0.00 H ATOM 724 H THR A 80 81.158 51.764 20.165 1.00 0.00 H ATOM 725 N PRO A 81 77.583 50.369 18.121 1.00 15.29 N ATOM 726 CA PRO A 81 77.246 49.310 17.164 1.00 17.32 C ATOM 727 C PRO A 81 78.008 49.462 15.840 1.00 19.89 C ATOM 728 O PRO A 81 78.443 48.448 15.314 1.00 17.44 O ATOM 729 CB PRO A 81 75.734 49.473 16.957 1.00 19.76 C ATOM 730 CG PRO A 81 75.374 50.782 17.565 1.00 20.61 C ATOM 731 CD PRO A 81 76.391 51.063 18.622 1.00 16.49 C ATOM 732 N VAL A 82 78.141 50.682 15.310 1.00 13.92 N ATOM 733 CA VAL A 82 78.882 50.934 14.082 1.00 18.33 C ATOM 734 C VAL A 82 79.573 52.293 14.188 1.00 18.06 C ATOM 735 O VAL A 82 79.212 53.107 15.030 1.00 17.59 O ATOM 736 CB VAL A 82 77.950 50.989 12.857 1.00 31.92 C ATOM 737 CG1 VAL A 82 77.429 49.610 12.493 1.00 38.27 C ATOM 738 CG2 VAL A 82 76.796 51.945 13.110 1.00 29.94 C ATOM 739 H VAL A 82 77.696 51.486 15.796 1.00 0.00 H ATOM 740 N ASN A 83 80.573 52.538 13.349 1.00 16.00 N ATOM 741 CA ASN A 83 81.244 53.830 13.346 1.00 16.41 C ATOM 742 C ASN A 83 80.240 54.849 12.812 1.00 15.05 C ATOM 743 O ASN A 83 79.726 54.674 11.715 1.00 13.30 O ATOM 744 CB ASN A 83 82.469 53.817 12.427 1.00 19.21 C ATOM 745 CG ASN A 83 83.570 52.899 12.917 1.00 20.18 C ATOM 746 OD1 ASN A 83 83.809 52.773 14.110 1.00 17.48 O ATOM 747 ND2 ASN A 83 84.261 52.271 11.983 1.00 18.76 N ATOM 748 HD22 ASN A 83 84.023 52.408 10.980 1.00 0.00 H ATOM 749 HD21 ASN A 83 85.043 51.640 12.251 1.00 0.00 H ATOM 750 H ASN A 83 80.880 51.798 12.686 1.00 0.00 H ATOM 751 N ILE A 84 79.964 55.909 13.567 1.00 14.04 N ATOM 752 CA ILE A 84 79.007 56.910 13.124 1.00 11.27 C ATOM 753 C ILE A 84 79.690 58.272 13.113 1.00 16.19 C ATOM 754 O ILE A 84 80.363 58.644 14.081 1.00 13.84 O ATOM 755 CB ILE A 84 77.735 56.921 13.995 1.00 13.87 C ATOM 756 CG1 ILE A 84 78.075 57.171 15.464 1.00 16.44 C ATOM 757 CG2 ILE A 84 77.008 55.580 13.840 1.00 16.26 C ATOM 758 CD1 ILE A 84 76.858 57.162 16.383 1.00 19.52 C ATOM 759 H ILE A 84 80.439 56.023 14.485 1.00 0.00 H ATOM 760 N ILE A 85 79.525 58.990 12.003 1.00 16.19 N ATOM 761 CA ILE A 85 79.983 60.366 11.849 1.00 14.50 C ATOM 762 C ILE A 85 78.791 61.279 12.121 1.00 12.05 C ATOM 763 O ILE A 85 77.773 61.228 11.416 1.00 12.80 O ATOM 764 CB ILE A 85 80.556 60.623 10.443 1.00 13.34 C ATOM 765 CG1 ILE A 85 81.610 59.576 10.080 1.00 14.19 C ATOM 766 CG2 ILE A 85 81.147 61.999 10.359 1.00 14.32 C ATOM 767 CD1 ILE A 85 82.801 59.549 11.003 1.00 15.57 C ATOM 768 H ILE A 85 79.041 58.543 11.199 1.00 0.00 H ATOM 769 N GLY A 86 78.911 62.097 13.158 1.00 14.00 N ATOM 770 CA GLY A 86 77.835 62.940 13.615 1.00 14.49 C ATOM 771 C GLY A 86 78.068 64.378 13.202 1.00 12.59 C ATOM 772 O GLY A 86 79.025 64.721 12.514 1.00 10.77 O ATOM 773 H GLY A 86 79.820 62.132 13.663 1.00 0.00 H ATOM 774 N ARG A 87 77.153 65.228 13.665 1.00 14.32 N ATOM 775 CA ARG A 87 77.065 66.580 13.140 1.00 11.28 C ATOM 776 C ARG A 87 78.310 67.392 13.454 1.00 17.21 C ATOM 777 O ARG A 87 78.642 68.324 12.711 1.00 13.38 O ATOM 778 CB ARG A 87 75.814 67.264 13.685 1.00 10.68 C ATOM 779 CG ARG A 87 74.513 66.667 13.137 1.00 12.15 C ATOM 780 CD ARG A 87 73.300 67.497 13.532 1.00 12.10 C ATOM 781 NE ARG A 87 73.150 67.456 14.974 1.00 15.56 N ATOM 782 CZ ARG A 87 73.478 68.442 15.811 1.00 19.15 C ATOM 783 NH1 ARG A 87 73.935 69.607 15.366 1.00 11.62 N ATOM 784 NH2 ARG A 87 73.322 68.256 17.109 1.00 16.00 N ATOM 785 HE ARG A 87 72.755 66.588 15.389 1.00 0.00 H ATOM 786 HH12 ARG A 87 74.184 70.360 16.039 1.00 0.00 H ATOM 787 HH11 ARG A 87 74.044 69.767 14.344 1.00 0.00 H ATOM 788 HH22 ARG A 87 73.572 69.013 17.777 1.00 0.00 H ATOM 789 HH21 ARG A 87 72.949 67.352 17.464 1.00 0.00 H ATOM 790 H ARG A 87 76.495 64.921 14.410 1.00 0.00 H ATOM 791 N ASN A 88 79.018 67.065 14.535 1.00 12.83 N ATOM 792 CA ASN A 88 80.200 67.858 14.863 1.00 17.83 C ATOM 793 C ASN A 88 81.220 67.813 13.731 1.00 16.71 C ATOM 794 O ASN A 88 81.946 68.793 13.510 1.00 14.22 O ATOM 795 CB ASN A 88 80.813 67.400 16.198 1.00 17.04 C ATOM 796 CG ASN A 88 81.485 66.023 16.120 1.00 15.70 C ATOM 797 OD1 ASN A 88 80.894 65.037 15.690 1.00 13.00 O ATOM 798 ND2 ASN A 88 82.734 65.970 16.547 1.00 15.43 N ATOM 799 HD22 ASN A 88 83.198 66.829 16.904 1.00 0.00 H ATOM 800 HD21 ASN A 88 83.253 65.069 16.526 1.00 0.00 H ATOM 801 H ASN A 88 78.735 66.262 15.132 1.00 0.00 H ATOM 802 N LEU A 89 81.246 66.726 12.964 1.00 13.28 N ATOM 803 CA LEU A 89 82.141 66.610 11.815 1.00 15.92 C ATOM 804 C LEU A 89 81.436 66.835 10.490 1.00 14.44 C ATOM 805 O LEU A 89 82.037 67.397 9.564 1.00 12.11 O ATOM 806 CB LEU A 89 82.817 65.232 11.800 1.00 15.27 C ATOM 807 CG LEU A 89 83.672 64.886 13.021 1.00 15.12 C ATOM 808 CD1 LEU A 89 84.424 63.582 12.820 1.00 21.97 C ATOM 809 CD2 LEU A 89 84.655 65.998 13.325 1.00 17.59 C ATOM 810 H LEU A 89 80.610 65.935 13.189 1.00 0.00 H ATOM 811 N LEU A 90 80.166 66.432 10.380 1.00 13.64 N ATOM 812 CA LEU A 90 79.435 66.674 9.142 1.00 17.08 C ATOM 813 C LEU A 90 79.401 68.163 8.817 1.00 18.15 C ATOM 814 O LEU A 90 79.503 68.551 7.645 1.00 15.05 O ATOM 815 CB LEU A 90 78.016 66.107 9.246 1.00 14.88 C ATOM 816 CG LEU A 90 77.870 64.601 9.448 1.00 13.14 C ATOM 817 CD1 LEU A 90 76.404 64.254 9.702 1.00 11.12 C ATOM 818 CD2 LEU A 90 78.393 63.825 8.253 1.00 16.20 C ATOM 819 H LEU A 90 79.701 65.948 11.174 1.00 0.00 H ATOM 820 N THR A 91 79.260 69.017 9.843 1.00 17.40 N ATOM 821 CA THR A 91 79.276 70.457 9.599 1.00 15.54 C ATOM 822 C THR A 91 80.611 70.884 9.001 1.00 17.10 C ATOM 823 O THR A 91 80.650 71.681 8.060 1.00 15.26 O ATOM 824 CB THR A 91 78.995 71.238 10.892 1.00 14.55 C ATOM 825 OG1 THR A 91 79.871 70.803 11.932 1.00 18.09 O ATOM 826 CG2 THR A 91 77.543 71.083 11.355 1.00 17.13 C ATOM 827 HG1 THR A 91 79.729 69.838 12.099 1.00 0.00 H ATOM 828 H THR A 91 79.140 68.654 10.810 1.00 0.00 H ATOM 829 N GLN A 92 81.720 70.341 9.517 1.00 19.90 N ATOM 830 CA GLN A 92 83.036 70.761 9.044 1.00 13.85 C ATOM 831 C GLN A 92 83.261 70.425 7.580 1.00 21.28 C ATOM 832 O GLN A 92 84.021 71.122 6.905 1.00 19.62 O ATOM 833 CB GLN A 92 84.151 70.116 9.872 1.00 17.14 C ATOM 834 CG GLN A 92 84.220 70.567 11.310 1.00 14.82 C ATOM 835 CD GLN A 92 85.532 70.223 11.961 1.00 14.39 C ATOM 836 OE1 GLN A 92 86.504 69.887 11.283 1.00 17.72 O ATOM 837 NE2 GLN A 92 85.571 70.300 13.289 1.00 15.28 N ATOM 838 HE22 GLN A 92 84.724 70.589 13.818 1.00 0.00 H ATOM 839 HE21 GLN A 92 86.449 70.071 13.798 1.00 0.00 H ATOM 840 H GLN A 92 81.644 69.616 10.259 1.00 0.00 H ATOM 841 N ILE A 93 82.652 69.358 7.065 1.00 16.33 N ATOM 842 CA ILE A 93 82.903 68.988 5.673 1.00 18.69 C ATOM 843 C ILE A 93 81.833 69.593 4.776 1.00 22.11 C ATOM 844 O ILE A 93 81.785 69.312 3.570 1.00 18.39 O ATOM 845 CB ILE A 93 82.987 67.465 5.492 1.00 16.61 C ATOM 846 CG1 ILE A 93 81.677 66.769 5.882 1.00 19.35 C ATOM 847 CG2 ILE A 93 84.148 66.929 6.296 1.00 18.23 C ATOM 848 CD1 ILE A 93 81.686 65.260 5.552 1.00 22.25 C ATOM 849 H ILE A 93 82.003 68.793 7.649 1.00 0.00 H ATOM 850 N GLY A 94 80.987 70.447 5.350 1.00 20.25 N ATOM 851 CA GLY A 94 80.001 71.157 4.559 1.00 21.59 C ATOM 852 C GLY A 94 78.781 70.347 4.191 1.00 24.25 C ATOM 853 O GLY A 94 78.134 70.623 3.176 1.00 20.01 O ATOM 854 H GLY A 94 81.034 70.606 6.377 1.00 0.00 H ATOM 855 N CYS A 95 78.431 69.369 5.006 1.00 17.50 N ATOM 856 CA CYS A 95 77.356 68.452 4.688 1.00 17.65 C ATOM 857 C CYS A 95 76.001 69.078 5.023 1.00 18.69 C ATOM 858 O CYS A 95 75.836 69.715 6.071 1.00 20.19 O ATOM 859 CB CYS A 95 77.591 67.146 5.455 1.00 23.86 C ATOM 860 SG CYS A 95 76.563 65.824 4.923 1.00 27.30 S ATOM 861 H CYS A 95 78.943 69.254 5.904 1.00 0.00 H ATOM 862 N THR A 96 75.051 68.956 4.093 1.00 17.07 N ATOM 863 CA THR A 96 73.679 69.400 4.302 1.00 15.55 C ATOM 864 C THR A 96 72.704 68.323 3.841 1.00 18.71 C ATOM 865 O THR A 96 73.028 67.457 3.022 1.00 16.87 O ATOM 866 CB THR A 96 73.336 70.685 3.541 1.00 21.68 C ATOM 867 OG1 THR A 96 73.516 70.458 2.136 1.00 17.14 O ATOM 868 CG2 THR A 96 74.186 71.868 4.012 1.00 19.72 C ATOM 869 HG1 THR A 96 74.458 70.207 1.961 1.00 0.00 H ATOM 870 H THR A 96 75.301 68.525 3.180 1.00 0.00 H ATOM 871 N LEU A 97 71.494 68.402 4.379 1.00 17.62 N ATOM 872 CA LEU A 97 70.369 67.616 3.906 1.00 13.81 C ATOM 873 C LEU A 97 69.587 68.451 2.907 1.00 18.51 C ATOM 874 O LEU A 97 69.400 69.652 3.104 1.00 17.97 O ATOM 875 CB LEU A 97 69.456 67.198 5.061 1.00 17.12 C ATOM 876 CG LEU A 97 69.938 66.098 6.008 1.00 15.27 C ATOM 877 CD1 LEU A 97 69.137 66.113 7.310 1.00 15.88 C ATOM 878 CD2 LEU A 97 69.834 64.736 5.360 1.00 16.79 C ATOM 879 H LEU A 97 71.345 69.055 5.174 1.00 0.00 H ATOM 880 N ASN A 98 69.132 67.811 1.834 1.00 16.92 N ATOM 881 CA ASN A 98 68.454 68.521 0.760 1.00 23.17 C ATOM 882 C ASN A 98 67.283 67.699 0.250 1.00 22.93 C ATOM 883 O ASN A 98 67.427 66.498 0.007 1.00 21.50 O ATOM 884 CB ASN A 98 69.434 68.816 -0.376 1.00 19.60 C ATOM 885 CG ASN A 98 70.560 69.727 0.050 1.00 28.44 C ATOM 886 OD1 ASN A 98 70.429 70.952 -0.003 1.00 25.08 O ATOM 887 ND2 ASN A 98 71.688 69.133 0.458 1.00 20.90 N ATOM 888 HD22 ASN A 98 71.749 68.095 0.485 1.00 0.00 H ATOM 889 HD21 ASN A 98 72.504 69.709 0.748 1.00 0.00 H ATOM 890 H ASN A 98 69.263 66.782 1.761 1.00 0.00 H ATOM 891 N PHE A 99 66.126 68.338 0.113 1.00 24.81 N ATOM 892 CA PHE A 99 64.985 67.708 -0.550 1.00 24.47 C ATOM 893 C PHE A 99 64.047 68.767 -1.115 1.00 28.18 C ATOM 894 O PHE A 99 62.979 68.464 -1.646 1.00 31.31 O ATOM 895 CB PHE A 99 64.226 66.765 0.405 1.00 23.26 C ATOM 896 CG PHE A 99 63.729 67.415 1.665 1.00 27.77 C ATOM 897 CD1 PHE A 99 64.525 67.457 2.795 1.00 28.99 C ATOM 898 CD2 PHE A 99 62.450 67.936 1.736 1.00 29.61 C ATOM 899 CE1 PHE A 99 64.061 68.035 3.958 1.00 32.98 C ATOM 900 CE2 PHE A 99 61.988 68.518 2.893 1.00 32.72 C ATOM 901 CZ PHE A 99 62.794 68.568 4.003 1.00 33.06 C ATOM 902 OXT PHE A 99 64.344 69.954 -1.053 1.00 31.31 O ATOM 903 H PHE A 99 66.030 69.305 0.484 1.00 0.00 H TER 904 PHE A 99 ATOM 905 N PRO B 1 63.932 72.139 0.372 1.00 42.47 N ATOM 906 CA PRO B 1 64.850 73.027 1.092 1.00 33.20 C ATOM 907 C PRO B 1 66.201 72.402 1.372 1.00 31.94 C ATOM 908 O PRO B 1 66.427 71.221 1.113 1.00 22.84 O ATOM 909 CB PRO B 1 64.114 73.299 2.411 1.00 36.38 C ATOM 910 CG PRO B 1 63.272 72.112 2.618 1.00 30.57 C ATOM 911 CD PRO B 1 62.851 71.651 1.243 1.00 38.87 C ATOM 912 HN2 PRO B 1 64.466 71.324 0.009 1.00 0.00 H ATOM 913 HN1 PRO B 1 63.514 72.660 -0.425 1.00 0.00 H ATOM 914 N GLN B 2 67.094 73.223 1.905 1.00 26.57 N ATOM 915 CA GLN B 2 68.395 72.797 2.382 1.00 24.84 C ATOM 916 C GLN B 2 68.439 72.984 3.888 1.00 23.29 C ATOM 917 O GLN B 2 68.051 74.038 4.398 1.00 24.35 O ATOM 918 CB GLN B 2 69.515 73.599 1.727 1.00 23.17 C ATOM 919 CG GLN B 2 70.874 73.233 2.283 1.00 25.95 C ATOM 920 CD GLN B 2 72.003 73.831 1.497 1.00 26.86 C ATOM 921 OE1 GLN B 2 72.318 73.372 0.407 1.00 25.01 O ATOM 922 NE2 GLN B 2 72.619 74.870 2.045 1.00 32.08 N ATOM 923 HE22 GLN B 2 72.315 75.224 2.974 1.00 0.00 H ATOM 924 HE21 GLN B 2 73.406 75.331 1.545 1.00 0.00 H ATOM 925 H GLN B 2 66.848 74.230 1.986 1.00 0.00 H ATOM 926 N ILE B 3 68.902 71.964 4.599 1.00 26.75 N ATOM 927 CA ILE B 3 68.965 71.994 6.053 1.00 19.78 C ATOM 928 C ILE B 3 70.413 71.803 6.445 1.00 22.38 C ATOM 929 O ILE B 3 71.017 70.777 6.116 1.00 16.11 O ATOM 930 CB ILE B 3 68.077 70.915 6.685 1.00 18.35 C ATOM 931 CG1 ILE B 3 66.622 71.131 6.285 1.00 24.92 C ATOM 932 CG2 ILE B 3 68.211 70.918 8.192 1.00 21.26 C ATOM 933 CD1 ILE B 3 65.730 70.012 6.686 1.00 25.76 C ATOM 934 H ILE B 3 69.231 71.113 4.100 1.00 0.00 H ATOM 935 N THR B 4 70.971 72.782 7.145 1.00 19.05 N ATOM 936 CA THR B 4 72.329 72.634 7.632 1.00 16.79 C ATOM 937 C THR B 4 72.282 71.875 8.956 1.00 15.23 C ATOM 938 O THR B 4 71.215 71.621 9.515 1.00 19.44 O ATOM 939 CB THR B 4 73.032 73.995 7.774 1.00 24.33 C ATOM 940 OG1 THR B 4 72.395 74.781 8.780 1.00 24.04 O ATOM 941 CG2 THR B 4 73.011 74.758 6.451 1.00 19.21 C ATOM 942 HG1 THR B 4 72.437 74.304 9.646 1.00 0.00 H ATOM 943 H THR B 4 70.437 73.652 7.344 1.00 0.00 H ATOM 944 N LEU B 5 73.454 71.478 9.436 1.00 12.29 N ATOM 945 CA LEU B 5 73.548 70.555 10.562 1.00 14.50 C ATOM 946 C LEU B 5 74.221 71.183 11.774 1.00 17.14 C ATOM 947 O LEU B 5 74.728 70.463 12.635 1.00 11.80 O ATOM 948 CB LEU B 5 74.281 69.298 10.120 1.00 16.18 C ATOM 949 CG LEU B 5 73.536 68.580 8.993 1.00 15.55 C ATOM 950 CD1 LEU B 5 74.358 67.458 8.411 1.00 16.06 C ATOM 951 CD2 LEU B 5 72.190 68.056 9.501 1.00 14.54 C ATOM 952 H LEU B 5 74.328 71.834 8.998 1.00 0.00 H ATOM 953 N TRP B 6 74.224 72.521 11.855 1.00 13.68 N ATOM 954 CA TRP B 6 74.682 73.200 13.063 1.00 15.51 C ATOM 955 C TRP B 6 73.859 72.787 14.269 1.00 16.32 C ATOM 956 O TRP B 6 74.382 72.683 15.389 1.00 17.91 O ATOM 957 CB TRP B 6 74.587 74.712 12.878 1.00 16.92 C ATOM 958 CG TRP B 6 75.450 75.280 11.823 1.00 20.40 C ATOM 959 CD1 TRP B 6 75.048 75.891 10.672 1.00 20.11 C ATOM 960 CD2 TRP B 6 76.880 75.338 11.830 1.00 17.10 C ATOM 961 NE1 TRP B 6 76.136 76.332 9.967 1.00 22.23 N ATOM 962 CE2 TRP B 6 77.274 76.006 10.656 1.00 16.23 C ATOM 963 CE3 TRP B 6 77.860 74.908 12.724 1.00 20.55 C ATOM 964 CZ2 TRP B 6 78.603 76.237 10.345 1.00 18.82 C ATOM 965 CZ3 TRP B 6 79.189 75.134 12.412 1.00 17.73 C ATOM 966 CH2 TRP B 6 79.546 75.791 11.233 1.00 20.83 C ATOM 967 HE1 TRP B 6 76.103 76.833 9.056 1.00 0.00 H ATOM 968 H TRP B 6 73.895 73.084 11.045 1.00 0.00 H ATOM 969 N LYS B 7 72.566 72.565 14.062 1.00 14.48 N ATOM 970 CA LYS B 7 71.666 72.066 15.087 1.00 16.41 C ATOM 971 C LYS B 7 70.964 70.804 14.585 1.00 18.38 C ATOM 972 O LYS B 7 71.030 70.451 13.407 1.00 16.14 O ATOM 973 CB LYS B 7 70.637 73.137 15.495 1.00 18.85 C ATOM 974 CG LYS B 7 69.723 73.627 14.404 1.00 22.97 C ATOM 975 CD LYS B 7 68.634 74.548 14.959 1.00 23.93 C ATOM 976 CE LYS B 7 67.556 74.824 13.921 1.00 28.26 C ATOM 977 NZ LYS B 7 66.493 75.748 14.411 1.00 44.80 N ATOM 978 HZ1 LYS B 7 66.030 75.331 15.243 1.00 0.00 H ATOM 979 HZ2 LYS B 7 66.921 76.660 14.671 1.00 0.00 H ATOM 980 HZ3 LYS B 7 65.790 75.896 13.659 1.00 0.00 H ATOM 981 H LYS B 7 72.178 72.759 13.117 1.00 0.00 H ATOM 982 N ARG B 8 70.296 70.121 15.504 1.00 14.05 N ATOM 983 CA ARG B 8 69.594 68.893 15.168 1.00 18.70 C ATOM 984 C ARG B 8 68.584 69.171 14.064 1.00 17.73 C ATOM 985 O ARG B 8 67.838 70.158 14.156 1.00 16.35 O ATOM 986 CB ARG B 8 68.878 68.341 16.394 1.00 17.31 C ATOM 987 CG ARG B 8 69.825 67.804 17.441 1.00 19.98 C ATOM 988 CD ARG B 8 69.075 67.120 18.580 1.00 17.88 C ATOM 989 NE ARG B 8 69.975 66.430 19.503 1.00 19.64 N ATOM 990 CZ ARG B 8 69.581 65.540 20.413 1.00 28.56 C ATOM 991 NH1 ARG B 8 68.301 65.218 20.520 1.00 26.93 N ATOM 992 NH2 ARG B 8 70.471 64.966 21.219 1.00 22.60 N ATOM 993 HE ARG B 8 70.990 66.648 19.445 1.00 0.00 H ATOM 994 HH12 ARG B 8 67.997 64.523 21.232 1.00 0.00 H ATOM 995 HH11 ARG B 8 67.599 65.660 19.893 1.00 0.00 H ATOM 996 HH22 ARG B 8 70.159 64.272 21.928 1.00 0.00 H ATOM 997 HH21 ARG B 8 71.479 65.212 21.140 1.00 0.00 H ATOM 998 H ARG B 8 70.274 70.470 16.483 1.00 0.00 H ATOM 999 N PRO B 9 68.535 68.346 12.994 1.00 13.89 N ATOM 1000 CA PRO B 9 67.598 68.617 11.883 1.00 14.93 C ATOM 1001 C PRO B 9 66.184 68.145 12.200 1.00 16.24 C ATOM 1002 O PRO B 9 65.678 67.158 11.670 1.00 15.38 O ATOM 1003 CB PRO B 9 68.236 67.852 10.718 1.00 15.84 C ATOM 1004 CG PRO B 9 68.904 66.712 11.359 1.00 10.80 C ATOM 1005 CD PRO B 9 69.416 67.205 12.692 1.00 12.43 C ATOM 1006 N LEU B 10 65.543 68.877 13.102 1.00 17.30 N ATOM 1007 CA LEU B 10 64.161 68.638 13.490 1.00 17.82 C ATOM 1008 C LEU B 10 63.237 69.338 12.513 1.00 20.06 C ATOM 1009 O LEU B 10 63.451 70.509 12.186 1.00 18.27 O ATOM 1010 CB LEU B 10 63.899 69.169 14.899 1.00 15.99 C ATOM 1011 CG LEU B 10 64.607 68.427 16.015 1.00 16.39 C ATOM 1012 CD1 LEU B 10 64.455 69.200 17.324 1.00 22.41 C ATOM 1013 CD2 LEU B 10 64.030 67.016 16.118 1.00 17.35 C ATOM 1014 H LEU B 10 66.054 69.661 13.555 1.00 0.00 H ATOM 1015 N VAL B 11 62.213 68.620 12.053 1.00 16.51 N ATOM 1016 CA VAL B 11 61.180 69.196 11.207 1.00 19.72 C ATOM 1017 C VAL B 11 59.825 68.767 11.761 1.00 19.59 C ATOM 1018 O VAL B 11 59.723 67.844 12.572 1.00 19.48 O ATOM 1019 CB VAL B 11 61.350 68.783 9.725 1.00 24.18 C ATOM 1020 CG1 VAL B 11 62.742 69.183 9.225 1.00 19.68 C ATOM 1021 CG2 VAL B 11 61.156 67.305 9.533 1.00 20.84 C ATOM 1022 H VAL B 11 62.150 67.614 12.308 1.00 0.00 H ATOM 1023 N THR B 12 58.786 69.492 11.371 1.00 19.96 N ATOM 1024 CA THR B 12 57.428 69.102 11.739 1.00 18.54 C ATOM 1025 C THR B 12 56.927 68.012 10.806 1.00 21.65 C ATOM 1026 O THR B 12 57.100 68.096 9.587 1.00 22.29 O ATOM 1027 CB THR B 12 56.486 70.310 11.671 1.00 22.25 C ATOM 1028 OG1 THR B 12 56.990 71.341 12.518 1.00 15.75 O ATOM 1029 CG2 THR B 12 55.073 69.931 12.112 1.00 17.86 C ATOM 1030 HG1 THR B 12 57.039 71.007 13.449 1.00 0.00 H ATOM 1031 H THR B 12 58.940 70.346 10.798 1.00 0.00 H ATOM 1032 N ILE B 13 56.288 66.991 11.389 1.00 16.85 N ATOM 1033 CA ILE B 13 55.675 65.912 10.636 1.00 19.55 C ATOM 1034 C ILE B 13 54.221 65.793 11.056 1.00 24.41 C ATOM 1035 O ILE B 13 53.823 66.210 12.147 1.00 18.99 O ATOM 1036 CB ILE B 13 56.394 64.564 10.849 1.00 17.20 C ATOM 1037 CG1 ILE B 13 56.151 64.067 12.281 1.00 19.52 C ATOM 1038 CG2 ILE B 13 57.875 64.743 10.583 1.00 19.19 C ATOM 1039 CD1 ILE B 13 56.765 62.732 12.609 1.00 22.60 C ATOM 1040 H ILE B 13 56.228 66.970 12.427 1.00 0.00 H ATOM 1041 N LYS B 14 53.430 65.186 10.180 1.00 18.37 N ATOM 1042 CA LYS B 14 52.017 64.963 10.448 1.00 25.37 C ATOM 1043 C LYS B 14 51.735 63.481 10.288 1.00 26.51 C ATOM 1044 O LYS B 14 51.966 62.922 9.209 1.00 22.03 O ATOM 1045 CB LYS B 14 51.148 65.797 9.509 1.00 29.11 C ATOM 1046 CG LYS B 14 49.673 65.488 9.598 1.00 38.19 C ATOM 1047 CD LYS B 14 48.882 66.533 8.825 1.00 40.01 C ATOM 1048 CE LYS B 14 47.878 65.889 7.887 1.00 48.29 C ATOM 1049 NZ LYS B 14 47.264 66.905 6.980 1.00 52.67 N ATOM 1050 HZ1 LYS B 14 46.775 67.625 7.549 1.00 0.00 H ATOM 1051 HZ2 LYS B 14 48.009 67.357 6.412 1.00 0.00 H ATOM 1052 HZ3 LYS B 14 46.582 66.438 6.349 1.00 0.00 H ATOM 1053 H LYS B 14 53.831 64.861 9.277 1.00 0.00 H ATOM 1054 N ILE B 15 51.273 62.846 11.368 1.00 23.54 N ATOM 1055 CA ILE B 15 50.968 61.419 11.378 1.00 28.95 C ATOM 1056 C ILE B 15 49.695 61.191 12.178 1.00 38.09 C ATOM 1057 O ILE B 15 49.448 61.867 13.183 1.00 37.66 O ATOM 1058 CB ILE B 15 52.111 60.574 11.975 1.00 27.71 C ATOM 1059 CG1 ILE B 15 51.724 59.084 11.911 1.00 29.95 C ATOM 1060 CG2 ILE B 15 52.380 60.990 13.400 1.00 28.75 C ATOM 1061 CD1 ILE B 15 52.762 58.140 12.385 1.00 28.74 C ATOM 1062 H ILE B 15 51.124 63.392 12.240 1.00 0.00 H ATOM 1063 N GLY B 16 48.897 60.219 11.739 1.00 46.64 N ATOM 1064 CA GLY B 16 47.703 59.823 12.463 1.00 42.07 C ATOM 1065 C GLY B 16 46.855 61.006 12.873 1.00 43.35 C ATOM 1066 O GLY B 16 46.159 60.958 13.895 1.00 48.76 O ATOM 1067 H GLY B 16 49.136 59.730 10.853 1.00 0.00 H ATOM 1068 N GLY B 17 46.906 62.071 12.079 1.00 36.23 N ATOM 1069 CA GLY B 17 46.224 63.299 12.419 1.00 35.22 C ATOM 1070 C GLY B 17 46.864 64.048 13.572 1.00 43.74 C ATOM 1071 O GLY B 17 46.149 64.600 14.420 1.00 39.44 O ATOM 1072 H GLY B 17 47.449 62.019 11.193 1.00 0.00 H ATOM 1073 N GLN B 18 48.195 64.087 13.626 1.00 38.96 N ATOM 1074 CA GLN B 18 48.892 64.750 14.719 1.00 31.13 C ATOM 1075 C GLN B 18 50.185 65.357 14.207 1.00 29.68 C ATOM 1076 O GLN B 18 50.832 64.800 13.316 1.00 26.83 O ATOM 1077 CB GLN B 18 49.194 63.778 15.861 1.00 40.70 C ATOM 1078 CG GLN B 18 48.188 63.839 16.987 1.00 45.90 C ATOM 1079 CD GLN B 18 48.507 62.873 18.108 1.00 47.65 C ATOM 1080 OE1 GLN B 18 49.212 61.879 17.914 1.00 49.50 O ATOM 1081 NE2 GLN B 18 47.995 63.167 19.296 1.00 51.42 N ATOM 1082 HE22 GLN B 18 47.406 64.016 19.413 1.00 0.00 H ATOM 1083 HE21 GLN B 18 48.183 62.548 20.111 1.00 0.00 H ATOM 1084 H GLN B 18 48.748 63.634 12.871 1.00 0.00 H ATOM 1085 N LEU B 19 50.545 66.507 14.764 1.00 26.59 N ATOM 1086 CA LEU B 19 51.780 67.188 14.417 1.00 26.62 C ATOM 1087 C LEU B 19 52.815 66.935 15.503 1.00 30.33 C ATOM 1088 O LEU B 19 52.516 67.050 16.699 1.00 23.65 O ATOM 1089 CB LEU B 19 51.552 68.687 14.240 1.00 29.93 C ATOM 1090 CG LEU B 19 50.547 69.074 13.157 1.00 27.08 C ATOM 1091 CD1 LEU B 19 50.625 70.565 12.944 1.00 22.82 C ATOM 1092 CD2 LEU B 19 50.805 68.322 11.838 1.00 26.71 C ATOM 1093 H LEU B 19 49.919 66.936 15.475 1.00 0.00 H ATOM 1094 N LYS B 20 54.024 66.591 15.074 1.00 19.22 N ATOM 1095 CA LYS B 20 55.123 66.243 15.957 1.00 19.44 C ATOM 1096 C LYS B 20 56.406 66.788 15.355 1.00 16.23 C ATOM 1097 O LYS B 20 56.466 67.095 14.164 1.00 18.41 O ATOM 1098 CB LYS B 20 55.228 64.721 16.132 1.00 20.81 C ATOM 1099 CG LYS B 20 54.014 64.098 16.789 1.00 29.20 C ATOM 1100 CD LYS B 20 53.952 62.622 16.512 1.00 24.36 C ATOM 1101 CE LYS B 20 52.820 61.968 17.272 1.00 31.69 C ATOM 1102 NZ LYS B 20 53.193 61.686 18.685 1.00 29.90 N ATOM 1103 HZ1 LYS B 20 54.013 61.046 18.705 1.00 0.00 H ATOM 1104 HZ2 LYS B 20 53.436 62.577 19.163 1.00 0.00 H ATOM 1105 HZ3 LYS B 20 52.390 61.238 19.171 1.00 0.00 H ATOM 1106 H LYS B 20 54.193 66.570 14.048 1.00 0.00 H ATOM 1107 N GLU B 21 57.434 66.918 16.188 1.00 16.61 N ATOM 1108 CA GLU B 21 58.769 67.272 15.721 1.00 21.92 C ATOM 1109 C GLU B 21 59.585 65.993 15.627 1.00 19.26 C ATOM 1110 O GLU B 21 59.554 65.165 16.546 1.00 16.09 O ATOM 1111 CB GLU B 21 59.448 68.273 16.656 1.00 18.27 C ATOM 1112 CG GLU B 21 58.767 69.630 16.735 1.00 29.94 C ATOM 1113 CD GLU B 21 58.795 70.379 15.421 1.00 26.28 C ATOM 1114 OE1 GLU B 21 57.706 70.646 14.872 1.00 27.36 O ATOM 1115 OE2 GLU B 21 59.900 70.706 14.942 1.00 26.37 O ATOM 1116 H GLU B 21 57.281 66.762 17.205 1.00 0.00 H ATOM 1117 N ALA B 22 60.287 65.816 14.507 1.00 13.43 N ATOM 1118 CA ALA B 22 61.070 64.611 14.304 1.00 17.42 C ATOM 1119 C ALA B 22 62.383 64.944 13.622 1.00 16.26 C ATOM 1120 O ALA B 22 62.493 65.915 12.870 1.00 16.07 O ATOM 1121 CB ALA B 22 60.321 63.562 13.467 1.00 13.39 C ATOM 1122 H ALA B 22 60.273 66.550 13.770 1.00 0.00 H ATOM 1123 N LEU B 23 63.368 64.101 13.908 1.00 11.90 N ATOM 1124 CA LEU B 23 64.728 64.219 13.414 1.00 12.41 C ATOM 1125 C LEU B 23 64.819 63.579 12.035 1.00 16.04 C ATOM 1126 O LEU B 23 64.384 62.432 11.847 1.00 15.07 O ATOM 1127 CB LEU B 23 65.660 63.506 14.400 1.00 14.37 C ATOM 1128 CG LEU B 23 67.098 63.903 14.648 1.00 22.09 C ATOM 1129 CD1 LEU B 23 67.142 65.259 15.272 1.00 22.54 C ATOM 1130 CD2 LEU B 23 67.770 62.900 15.577 1.00 22.47 C ATOM 1131 H LEU B 23 63.149 63.298 14.531 1.00 0.00 H ATOM 1132 N LEU B 24 65.374 64.315 11.073 1.00 14.61 N ATOM 1133 CA LEU B 24 65.717 63.751 9.769 1.00 11.27 C ATOM 1134 C LEU B 24 67.043 63.022 9.925 1.00 15.72 C ATOM 1135 O LEU B 24 68.103 63.650 9.947 1.00 14.54 O ATOM 1136 CB LEU B 24 65.828 64.842 8.710 1.00 15.63 C ATOM 1137 CG LEU B 24 64.584 65.677 8.434 1.00 20.00 C ATOM 1138 CD1 LEU B 24 64.861 66.649 7.300 1.00 22.82 C ATOM 1139 CD2 LEU B 24 63.387 64.772 8.125 1.00 19.70 C ATOM 1140 H LEU B 24 65.569 65.320 11.255 1.00 0.00 H ATOM 1141 N ASP B 25 66.994 61.693 9.995 1.00 13.36 N ATOM 1142 CA ASP B 25 68.112 60.884 10.479 1.00 11.66 C ATOM 1143 C ASP B 25 68.586 59.868 9.434 1.00 16.74 C ATOM 1144 O ASP B 25 68.047 58.761 9.337 1.00 14.37 O ATOM 1145 CB ASP B 25 67.708 60.182 11.753 1.00 10.24 C ATOM 1146 CG ASP B 25 68.865 59.530 12.426 1.00 13.55 C ATOM 1147 OD1 ASP B 25 69.959 59.565 11.834 1.00 15.32 O ATOM 1148 OD2 ASP B 25 68.678 59.009 13.543 1.00 12.81 O ATOM 1149 H ASP B 25 66.124 61.210 9.693 1.00 0.00 H ATOM 1150 N THR B 26 69.645 60.222 8.699 1.00 11.72 N ATOM 1151 CA THR B 26 70.259 59.321 7.723 1.00 14.96 C ATOM 1152 C THR B 26 70.917 58.107 8.370 1.00 16.05 C ATOM 1153 O THR B 26 71.256 57.152 7.662 1.00 17.18 O ATOM 1154 CB THR B 26 71.306 60.076 6.890 1.00 19.09 C ATOM 1155 OG1 THR B 26 72.388 60.487 7.734 1.00 12.48 O ATOM 1156 CG2 THR B 26 70.697 61.309 6.224 1.00 13.59 C ATOM 1157 HG1 THR B 26 72.807 59.689 8.144 1.00 0.00 H ATOM 1158 H THR B 26 70.047 61.173 8.825 1.00 0.00 H ATOM 1159 N GLY B 27 71.127 58.119 9.680 1.00 16.50 N ATOM 1160 CA GLY B 27 71.697 56.967 10.347 1.00 12.46 C ATOM 1161 C GLY B 27 70.699 55.915 10.780 1.00 12.19 C ATOM 1162 O GLY B 27 71.099 54.844 11.240 1.00 14.13 O ATOM 1163 H GLY B 27 70.880 58.964 10.233 1.00 0.00 H ATOM 1164 N ALA B 28 69.411 56.209 10.658 1.00 13.62 N ATOM 1165 CA ALA B 28 68.338 55.322 11.078 1.00 13.72 C ATOM 1166 C ALA B 28 67.809 54.577 9.858 1.00 11.97 C ATOM 1167 O ALA B 28 67.330 55.208 8.919 1.00 10.66 O ATOM 1168 CB ALA B 28 67.235 56.151 11.738 1.00 13.43 C ATOM 1169 H ALA B 28 69.154 57.125 10.238 1.00 0.00 H ATOM 1170 N ASP B 29 67.934 53.248 9.845 1.00 11.94 N ATOM 1171 CA ASP B 29 67.335 52.466 8.760 1.00 17.37 C ATOM 1172 C ASP B 29 65.837 52.738 8.625 1.00 19.03 C ATOM 1173 O ASP B 29 65.321 52.951 7.517 1.00 15.47 O ATOM 1174 CB ASP B 29 67.564 50.978 8.987 1.00 15.92 C ATOM 1175 CG ASP B 29 69.029 50.595 8.909 1.00 22.57 C ATOM 1176 OD1 ASP B 29 69.839 51.355 8.333 1.00 18.94 O ATOM 1177 OD2 ASP B 29 69.372 49.526 9.427 1.00 19.84 O ATOM 1178 H ASP B 29 68.457 52.767 10.605 1.00 0.00 H ATOM 1179 N ASP B 30 65.115 52.711 9.745 1.00 17.99 N ATOM 1180 CA ASP B 30 63.663 52.849 9.741 1.00 16.21 C ATOM 1181 C ASP B 30 63.201 53.896 10.740 1.00 14.64 C ATOM 1182 O ASP B 30 63.786 54.052 11.809 1.00 17.65 O ATOM 1183 CB ASP B 30 62.980 51.540 10.072 1.00 17.59 C ATOM 1184 CG ASP B 30 63.091 50.546 8.940 1.00 23.36 C ATOM 1185 OD1 ASP B 30 62.518 50.801 7.859 1.00 19.51 O ATOM 1186 OD2 ASP B 30 63.805 49.555 9.116 1.00 20.21 O ATOM 1187 H ASP B 30 65.604 52.587 10.654 1.00 0.00 H ATOM 1188 N THR B 31 62.123 54.561 10.355 1.00 12.65 N ATOM 1189 CA THR B 31 61.486 55.588 11.142 1.00 12.35 C ATOM 1190 C THR B 31 60.994 55.005 12.466 1.00 16.47 C ATOM 1191 O THR B 31 60.350 53.959 12.473 1.00 14.24 O ATOM 1192 CB THR B 31 60.259 56.133 10.386 1.00 14.20 C ATOM 1193 OG1 THR B 31 60.687 56.815 9.204 1.00 17.63 O ATOM 1194 CG2 THR B 31 59.446 57.066 11.259 1.00 14.69 C ATOM 1195 HG1 THR B 31 61.180 56.185 8.621 1.00 0.00 H ATOM 1196 H THR B 31 61.711 54.329 9.429 1.00 0.00 H ATOM 1197 N VAL B 32 61.295 55.669 13.572 1.00 14.77 N ATOM 1198 CA VAL B 32 60.818 55.227 14.875 1.00 13.75 C ATOM 1199 C VAL B 32 60.263 56.453 15.580 1.00 14.70 C ATOM 1200 O VAL B 32 60.917 57.489 15.628 1.00 15.80 O ATOM 1201 CB VAL B 32 61.918 54.562 15.722 1.00 25.25 C ATOM 1202 CG1 VAL B 32 63.086 55.507 15.947 1.00 20.99 C ATOM 1203 CG2 VAL B 32 61.350 54.082 17.047 1.00 17.86 C ATOM 1204 H VAL B 32 61.884 56.524 13.508 1.00 0.00 H ATOM 1205 N LEU B 33 59.051 56.347 16.110 1.00 14.02 N ATOM 1206 CA LEU B 33 58.439 57.477 16.780 1.00 14.59 C ATOM 1207 C LEU B 33 58.199 57.187 18.249 1.00 18.55 C ATOM 1208 O LEU B 33 58.022 56.043 18.645 1.00 16.57 O ATOM 1209 CB LEU B 33 57.095 57.806 16.136 1.00 18.81 C ATOM 1210 CG LEU B 33 57.076 58.144 14.648 1.00 16.87 C ATOM 1211 CD1 LEU B 33 55.649 58.406 14.195 1.00 25.42 C ATOM 1212 CD2 LEU B 33 57.966 59.341 14.369 1.00 14.46 C ATOM 1213 H LEU B 33 58.536 55.446 16.044 1.00 0.00 H ATOM 1214 N GLU B 34 58.213 58.239 19.052 1.00 15.14 N ATOM 1215 CA GLU B 34 57.916 58.123 20.472 1.00 16.17 C ATOM 1216 C GLU B 34 56.557 57.462 20.670 1.00 20.48 C ATOM 1217 O GLU B 34 55.678 57.533 19.811 1.00 16.39 O ATOM 1218 CB GLU B 34 57.916 59.501 21.137 1.00 18.68 C ATOM 1219 CG GLU B 34 59.281 60.202 21.196 1.00 26.09 C ATOM 1220 CD GLU B 34 59.168 61.719 21.458 1.00 24.82 C ATOM 1221 OE1 GLU B 34 60.137 62.449 21.189 1.00 24.03 O ATOM 1222 OE2 GLU B 34 58.105 62.177 21.917 1.00 33.05 O ATOM 1223 H GLU B 34 58.442 59.174 18.658 1.00 0.00 H ATOM 1224 N GLU B 35 56.401 56.810 21.822 1.00 21.44 N ATOM 1225 CA GLU B 35 55.212 56.020 22.122 1.00 20.17 C ATOM 1226 C GLU B 35 53.938 56.804 21.822 1.00 20.12 C ATOM 1227 O GLU B 35 53.777 57.948 22.244 1.00 20.17 O ATOM 1228 CB GLU B 35 55.243 55.591 23.596 1.00 24.14 C ATOM 1229 CG GLU B 35 53.962 54.940 24.113 1.00 27.99 C ATOM 1230 CD GLU B 35 53.549 53.734 23.290 1.00 30.94 C ATOM 1231 OE1 GLU B 35 54.444 52.930 22.947 1.00 25.95 O ATOM 1232 OE2 GLU B 35 52.338 53.597 22.982 1.00 33.19 O ATOM 1233 H GLU B 35 57.156 56.867 22.535 1.00 0.00 H ATOM 1234 N MET B 36 53.043 56.181 21.073 1.00 14.86 N ATOM 1235 CA MET B 36 51.782 56.798 20.690 1.00 28.75 C ATOM 1236 C MET B 36 50.816 55.669 20.373 1.00 24.78 C ATOM 1237 O MET B 36 51.240 54.571 20.003 1.00 21.69 O ATOM 1238 CB MET B 36 51.949 57.737 19.483 1.00 25.71 C ATOM 1239 CG MET B 36 52.312 57.030 18.178 1.00 29.11 C ATOM 1240 SD MET B 36 52.444 58.143 16.760 1.00 24.81 S ATOM 1241 CE MET B 36 50.815 58.906 16.730 1.00 30.34 C ATOM 1242 H MET B 36 53.248 55.215 20.746 1.00 0.00 H ATOM 1243 N ASN B 37 49.536 55.923 20.605 1.00 27.10 N ATOM 1244 CA ASN B 37 48.520 54.902 20.427 1.00 35.68 C ATOM 1245 C ASN B 37 47.922 54.812 19.037 1.00 37.50 C ATOM 1246 O ASN B 37 46.764 55.164 18.827 1.00 44.33 O ATOM 1247 CB ASN B 37 47.404 55.086 21.455 1.00 30.00 C ATOM 1248 CG ASN B 37 46.760 53.773 21.848 1.00 30.00 C ATOM 1249 OD1 ASN B 37 47.184 52.704 21.407 1.00 30.00 O ATOM 1250 ND2 ASN B 37 45.725 53.846 22.677 1.00 30.00 N ATOM 1251 HD22 ASN B 37 45.401 54.771 23.024 1.00 0.00 H ATOM 1252 HD21 ASN B 37 45.238 52.978 22.979 1.00 0.00 H ATOM 1253 H ASN B 37 49.254 56.873 20.921 1.00 0.00 H ATOM 1254 N LEU B 38 48.718 54.329 18.095 1.00 35.01 N ATOM 1255 CA LEU B 38 48.243 54.123 16.728 1.00 31.95 C ATOM 1256 C LEU B 38 47.271 52.942 16.669 1.00 39.10 C ATOM 1257 O LEU B 38 47.493 51.920 17.321 1.00 32.26 O ATOM 1258 CB LEU B 38 49.394 53.831 15.772 1.00 33.37 C ATOM 1259 CG LEU B 38 50.231 54.937 15.130 1.00 38.85 C ATOM 1260 CD1 LEU B 38 51.229 54.290 14.161 1.00 28.74 C ATOM 1261 CD2 LEU B 38 49.374 55.985 14.405 1.00 34.88 C ATOM 1262 H LEU B 38 49.702 54.091 18.333 1.00 0.00 H ATOM 1263 N PRO B 39 46.204 53.035 15.879 1.00 43.75 N ATOM 1264 CA PRO B 39 45.387 51.853 15.608 1.00 42.01 C ATOM 1265 C PRO B 39 46.021 50.973 14.541 1.00 35.38 C ATOM 1266 O PRO B 39 46.922 51.378 13.806 1.00 37.77 O ATOM 1267 CB PRO B 39 44.059 52.437 15.113 1.00 44.93 C ATOM 1268 CG PRO B 39 44.437 53.724 14.490 1.00 44.90 C ATOM 1269 CD PRO B 39 45.610 54.251 15.291 1.00 46.18 C ATOM 1270 N GLY B 40 45.525 49.754 14.472 1.00 33.74 N ATOM 1271 CA GLY B 40 45.949 48.802 13.467 1.00 37.26 C ATOM 1272 C GLY B 40 46.721 47.643 14.070 1.00 27.41 C ATOM 1273 O GLY B 40 47.043 47.604 15.258 1.00 29.23 O ATOM 1274 H GLY B 40 44.804 49.466 15.164 1.00 0.00 H ATOM 1275 N ARG B 41 47.016 46.690 13.204 1.00 22.88 N ATOM 1276 CA ARG B 41 47.864 45.580 13.566 1.00 27.10 C ATOM 1277 C ARG B 41 49.324 46.020 13.522 1.00 28.25 C ATOM 1278 O ARG B 41 49.699 46.979 12.836 1.00 24.97 O ATOM 1279 CB ARG B 41 47.624 44.396 12.623 1.00 23.78 C ATOM 1280 H ARG B 41 46.629 46.741 12.240 1.00 0.00 H ATOM 1281 N TRP B 42 50.148 45.304 14.273 1.00 24.30 N ATOM 1282 CA TRP B 42 51.568 45.590 14.338 1.00 24.53 C ATOM 1283 C TRP B 42 52.302 44.289 14.615 1.00 24.29 C ATOM 1284 O TRP B 42 51.693 43.258 14.915 1.00 21.33 O ATOM 1285 CB TRP B 42 51.858 46.643 15.401 1.00 19.38 C ATOM 1286 CG TRP B 42 51.305 46.308 16.765 1.00 24.96 C ATOM 1287 CD1 TRP B 42 50.052 46.566 17.218 1.00 25.35 C ATOM 1288 CD2 TRP B 42 51.995 45.655 17.844 1.00 26.55 C ATOM 1289 NE1 TRP B 42 49.911 46.117 18.507 1.00 31.87 N ATOM 1290 CE2 TRP B 42 51.088 45.551 18.914 1.00 27.03 C ATOM 1291 CE3 TRP B 42 53.289 45.147 18.005 1.00 23.26 C ATOM 1292 CZ2 TRP B 42 51.433 44.973 20.139 1.00 27.63 C ATOM 1293 CZ3 TRP B 42 53.631 44.573 19.218 1.00 26.16 C ATOM 1294 CH2 TRP B 42 52.704 44.492 20.270 1.00 28.34 C ATOM 1295 HE1 TRP B 42 49.048 46.195 19.082 1.00 0.00 H ATOM 1296 H TRP B 42 49.765 44.515 14.832 1.00 0.00 H ATOM 1297 N LYS B 43 53.622 44.342 14.481 1.00 23.24 N ATOM 1298 CA LYS B 43 54.483 43.201 14.735 1.00 23.03 C ATOM 1299 C LYS B 43 55.633 43.637 15.638 1.00 24.64 C ATOM 1300 O LYS B 43 56.189 44.719 15.442 1.00 19.41 O ATOM 1301 CB LYS B 43 55.024 42.630 13.419 1.00 22.93 C ATOM 1302 H LYS B 43 54.057 45.238 14.182 1.00 0.00 H ATOM 1303 N PRO B 44 55.992 42.846 16.651 1.00 24.89 N ATOM 1304 CA PRO B 44 57.102 43.250 17.519 1.00 20.01 C ATOM 1305 C PRO B 44 58.429 43.242 16.779 1.00 18.19 C ATOM 1306 O PRO B 44 58.657 42.476 15.839 1.00 18.98 O ATOM 1307 CB PRO B 44 57.079 42.213 18.649 1.00 27.54 C ATOM 1308 CG PRO B 44 56.230 41.115 18.168 1.00 24.42 C ATOM 1309 CD PRO B 44 55.298 41.654 17.160 1.00 19.94 C ATOM 1310 N LYS B 45 59.314 44.121 17.220 1.00 14.65 N ATOM 1311 CA LYS B 45 60.620 44.287 16.607 1.00 16.25 C ATOM 1312 C LYS B 45 61.558 44.808 17.678 1.00 17.92 C ATOM 1313 O LYS B 45 61.123 45.370 18.682 1.00 18.10 O ATOM 1314 CB LYS B 45 60.579 45.263 15.420 1.00 19.94 C ATOM 1315 CG LYS B 45 61.842 45.315 14.567 1.00 22.40 C ATOM 1316 CD LYS B 45 61.626 46.129 13.288 1.00 26.86 C ATOM 1317 CE LYS B 45 62.928 46.339 12.508 1.00 32.09 C ATOM 1318 NZ LYS B 45 63.578 45.062 12.133 1.00 48.97 N ATOM 1319 HZ1 LYS B 45 63.803 44.523 12.994 1.00 0.00 H ATOM 1320 HZ2 LYS B 45 62.932 44.508 11.535 1.00 0.00 H ATOM 1321 HZ3 LYS B 45 64.453 45.261 11.608 1.00 0.00 H ATOM 1322 H LYS B 45 59.065 44.715 18.036 1.00 0.00 H ATOM 1323 N MET B 46 62.851 44.617 17.454 1.00 14.09 N ATOM 1324 CA MET B 46 63.881 45.167 18.318 1.00 16.79 C ATOM 1325 C MET B 46 64.871 45.918 17.425 1.00 20.53 C ATOM 1326 O MET B 46 65.270 45.419 16.369 1.00 19.69 O ATOM 1327 CB MET B 46 64.540 44.041 19.174 1.00 19.50 C ATOM 1328 CG MET B 46 63.923 43.929 20.641 1.00 14.81 C ATOM 1329 SD MET B 46 64.441 42.549 21.624 1.00 59.99 S ATOM 1330 CE MET B 46 65.819 43.304 22.477 1.00 24.20 C ATOM 1331 H MET B 46 63.138 44.052 16.629 1.00 0.00 H ATOM 1332 N ILE B 47 65.214 47.145 17.806 1.00 16.60 N ATOM 1333 CA ILE B 47 66.170 47.948 17.054 1.00 17.49 C ATOM 1334 C ILE B 47 67.333 48.286 17.968 1.00 17.84 C ATOM 1335 O ILE B 47 67.147 48.495 19.172 1.00 16.59 O ATOM 1336 CB ILE B 47 65.535 49.227 16.474 1.00 22.65 C ATOM 1337 CG1 ILE B 47 64.925 50.098 17.584 1.00 17.43 C ATOM 1338 CG2 ILE B 47 64.518 48.840 15.414 1.00 23.33 C ATOM 1339 CD1 ILE B 47 64.626 51.528 17.140 1.00 23.37 C ATOM 1340 H ILE B 47 64.787 47.544 18.667 1.00 0.00 H ATOM 1341 N GLY B 48 68.534 48.295 17.393 1.00 15.66 N ATOM 1342 CA GLY B 48 69.766 48.433 18.146 1.00 19.50 C ATOM 1343 C GLY B 48 70.456 49.744 17.822 1.00 14.93 C ATOM 1344 O GLY B 48 70.388 50.235 16.698 1.00 14.95 O ATOM 1345 H GLY B 48 68.591 48.199 16.359 1.00 0.00 H ATOM 1346 N GLY B 49 71.100 50.309 18.823 1.00 17.18 N ATOM 1347 CA GLY B 49 71.837 51.539 18.673 1.00 18.14 C ATOM 1348 C GLY B 49 72.845 51.686 19.780 1.00 16.74 C ATOM 1349 O GLY B 49 73.194 50.724 20.466 1.00 15.85 O ATOM 1350 H GLY B 49 71.076 49.851 19.756 1.00 0.00 H ATOM 1351 N VAL B 50 73.330 52.910 19.946 1.00 16.47 N ATOM 1352 CA VAL B 50 74.197 53.204 21.070 1.00 16.36 C ATOM 1353 C VAL B 50 73.428 52.898 22.341 1.00 18.27 C ATOM 1354 O VAL B 50 72.298 53.367 22.531 1.00 20.41 O ATOM 1355 CB VAL B 50 74.669 54.668 21.030 1.00 18.00 C ATOM 1356 CG1 VAL B 50 75.482 55.001 22.283 1.00 17.72 C ATOM 1357 CG2 VAL B 50 75.491 54.955 19.763 1.00 17.57 C ATOM 1358 H VAL B 50 73.087 53.660 19.268 1.00 0.00 H ATOM 1359 N GLY B 51 74.024 52.083 23.206 1.00 16.86 N ATOM 1360 CA GLY B 51 73.411 51.687 24.451 1.00 20.03 C ATOM 1361 C GLY B 51 72.757 50.319 24.431 1.00 22.30 C ATOM 1362 O GLY B 51 72.518 49.751 25.500 1.00 21.93 O ATOM 1363 H GLY B 51 74.970 51.716 22.976 1.00 0.00 H ATOM 1364 N GLY B 52 72.455 49.777 23.252 1.00 18.88 N ATOM 1365 CA GLY B 52 71.786 48.498 23.145 1.00 17.10 C ATOM 1366 C GLY B 52 70.487 48.616 22.363 1.00 21.95 C ATOM 1367 O GLY B 52 70.368 49.442 21.452 1.00 16.67 O ATOM 1368 H GLY B 52 72.708 50.288 22.382 1.00 0.00 H ATOM 1369 N PHE B 53 69.516 47.793 22.750 1.00 15.41 N ATOM 1370 CA PHE B 53 68.295 47.584 21.986 1.00 16.88 C ATOM 1371 C PHE B 53 67.074 48.096 22.743 1.00 19.56 C ATOM 1372 O PHE B 53 67.062 48.153 23.976 1.00 17.86 O ATOM 1373 CB PHE B 53 68.120 46.088 21.662 1.00 19.60 C ATOM 1374 CG PHE B 53 69.047 45.580 20.585 1.00 17.99 C ATOM 1375 CD1 PHE B 53 70.377 45.317 20.857 1.00 21.37 C ATOM 1376 CD2 PHE B 53 68.588 45.380 19.295 1.00 18.38 C ATOM 1377 CE1 PHE B 53 71.219 44.862 19.865 1.00 16.63 C ATOM 1378 CE2 PHE B 53 69.436 44.930 18.301 1.00 19.37 C ATOM 1379 CZ PHE B 53 70.743 44.662 18.590 1.00 15.28 C ATOM 1380 H PHE B 53 69.635 47.273 23.643 1.00 0.00 H ATOM 1381 N ILE B 54 66.039 48.473 21.987 1.00 14.91 N ATOM 1382 CA ILE B 54 64.716 48.729 22.540 1.00 19.15 C ATOM 1383 C ILE B 54 63.703 47.940 21.725 1.00 23.41 C ATOM 1384 O ILE B 54 63.890 47.700 20.524 1.00 17.09 O ATOM 1385 CB ILE B 54 64.321 50.218 22.560 1.00 15.24 C ATOM 1386 CG1 ILE B 54 64.258 50.802 21.141 1.00 16.51 C ATOM 1387 CG2 ILE B 54 65.256 51.013 23.501 1.00 18.41 C ATOM 1388 CD1 ILE B 54 63.630 52.207 21.100 1.00 19.66 C ATOM 1389 H ILE B 54 66.184 48.588 20.964 1.00 0.00 H ATOM 1390 N LYS B 55 62.626 47.539 22.396 1.00 16.43 N ATOM 1391 CA LYS B 55 61.505 46.872 21.754 1.00 18.16 C ATOM 1392 C LYS B 55 60.554 47.914 21.180 1.00 12.96 C ATOM 1393 O LYS B 55 60.215 48.890 21.858 1.00 16.27 O ATOM 1394 CB LYS B 55 60.782 45.986 22.772 1.00 14.96 C ATOM 1395 H LYS B 55 62.585 47.710 23.421 1.00 0.00 H ATOM 1396 N VAL B 56 60.105 47.699 19.939 1.00 15.43 N ATOM 1397 CA VAL B 56 59.195 48.618 19.267 1.00 14.47 C ATOM 1398 C VAL B 56 58.063 47.838 18.595 1.00 17.69 C ATOM 1399 O VAL B 56 58.129 46.626 18.391 1.00 14.32 O ATOM 1400 CB VAL B 56 59.915 49.516 18.228 1.00 16.02 C ATOM 1401 CG1 VAL B 56 61.023 50.332 18.890 1.00 15.53 C ATOM 1402 CG2 VAL B 56 60.492 48.692 17.080 1.00 14.60 C ATOM 1403 H VAL B 56 60.417 46.845 19.435 1.00 0.00 H ATOM 1404 N ARG B 57 57.028 48.571 18.222 1.00 17.70 N ATOM 1405 CA ARG B 57 55.908 48.029 17.468 1.00 16.92 C ATOM 1406 C ARG B 57 56.031 48.499 16.026 1.00 18.37 C ATOM 1407 O ARG B 57 56.151 49.700 15.767 1.00 15.76 O ATOM 1408 CB ARG B 57 54.583 48.472 18.082 1.00 18.80 C ATOM 1409 CG ARG B 57 54.493 48.141 19.559 1.00 24.58 C ATOM 1410 CD ARG B 57 53.076 48.249 20.111 1.00 25.79 C ATOM 1411 NE ARG B 57 52.470 49.561 19.899 1.00 29.21 N ATOM 1412 CZ ARG B 57 52.689 50.627 20.666 1.00 30.16 C ATOM 1413 NH1 ARG B 57 52.077 51.767 20.386 1.00 31.44 N ATOM 1414 NH2 ARG B 57 53.517 50.561 21.708 1.00 30.89 N ATOM 1415 HE ARG B 57 51.822 49.670 19.093 1.00 0.00 H ATOM 1416 HH12 ARG B 57 52.242 52.605 20.979 1.00 0.00 H ATOM 1417 HH11 ARG B 57 51.431 51.825 19.573 1.00 0.00 H ATOM 1418 HH22 ARG B 57 53.678 51.402 22.298 1.00 0.00 H ATOM 1419 HH21 ARG B 57 54.002 49.668 21.931 1.00 0.00 H ATOM 1420 H ARG B 57 57.014 49.579 18.479 1.00 0.00 H ATOM 1421 N GLN B 58 56.037 47.557 15.097 1.00 19.56 N ATOM 1422 CA GLN B 58 56.187 47.857 13.682 1.00 16.82 C ATOM 1423 C GLN B 58 54.810 47.908 13.036 1.00 24.50 C ATOM 1424 O GLN B 58 54.112 46.888 12.967 1.00 18.79 O ATOM 1425 CB GLN B 58 57.065 46.820 12.990 1.00 16.66 C ATOM 1426 CG GLN B 58 56.936 46.858 11.482 1.00 21.60 C ATOM 1427 CD GLN B 58 57.879 45.919 10.760 1.00 25.82 C ATOM 1428 OE1 GLN B 58 58.827 45.381 11.338 1.00 25.86 O ATOM 1429 NE2 GLN B 58 57.623 45.720 9.475 1.00 35.41 N ATOM 1430 HE22 GLN B 58 56.813 46.194 9.027 1.00 0.00 H ATOM 1431 HE21 GLN B 58 58.232 45.090 8.915 1.00 0.00 H ATOM 1432 H GLN B 58 55.930 46.565 15.390 1.00 0.00 H ATOM 1433 N TYR B 59 54.430 49.100 12.579 1.00 17.59 N ATOM 1434 CA TYR B 59 53.242 49.330 11.767 1.00 23.12 C ATOM 1435 C TYR B 59 53.672 49.496 10.315 1.00 25.91 C ATOM 1436 O TYR B 59 54.711 50.102 10.030 1.00 23.55 O ATOM 1437 CB TYR B 59 52.494 50.581 12.239 1.00 20.68 C ATOM 1438 CG TYR B 59 51.949 50.491 13.650 1.00 21.92 C ATOM 1439 CD1 TYR B 59 52.753 50.772 14.738 1.00 21.98 C ATOM 1440 CD2 TYR B 59 50.622 50.134 13.888 1.00 25.69 C ATOM 1441 CE1 TYR B 59 52.266 50.699 16.031 1.00 20.26 C ATOM 1442 CE2 TYR B 59 50.127 50.046 15.173 1.00 25.00 C ATOM 1443 CZ TYR B 59 50.955 50.331 16.243 1.00 25.96 C ATOM 1444 OH TYR B 59 50.473 50.261 17.529 1.00 27.56 O ATOM 1445 HH TYR B 59 49.722 50.897 17.634 1.00 0.00 H ATOM 1446 H TYR B 59 55.021 49.922 12.818 1.00 0.00 H ATOM 1447 N ASP B 60 52.881 48.952 9.401 1.00 20.67 N ATOM 1448 CA ASP B 60 53.187 48.997 7.980 1.00 23.18 C ATOM 1449 C ASP B 60 52.200 49.900 7.249 1.00 21.52 C ATOM 1450 O ASP B 60 51.044 50.041 7.657 1.00 27.51 O ATOM 1451 CB ASP B 60 53.160 47.589 7.382 1.00 33.06 C ATOM 1452 CG ASP B 60 54.208 46.684 7.996 1.00 34.40 C ATOM 1453 OD1 ASP B 60 55.374 47.129 8.151 1.00 33.68 O ATOM 1454 OD2 ASP B 60 53.863 45.538 8.342 1.00 33.90 O ATOM 1455 H ASP B 60 52.010 48.476 9.711 1.00 0.00 H ATOM 1456 N GLN B 61 52.685 50.537 6.182 1.00 22.62 N ATOM 1457 CA GLN B 61 51.861 51.395 5.317 1.00 22.86 C ATOM 1458 C GLN B 61 51.203 52.536 6.090 1.00 23.46 C ATOM 1459 O GLN B 61 50.011 52.816 5.945 1.00 25.64 O ATOM 1460 CB GLN B 61 50.813 50.564 4.569 1.00 30.91 C ATOM 1461 CG GLN B 61 51.440 49.483 3.704 1.00 23.51 C ATOM 1462 CD GLN B 61 52.571 50.016 2.855 1.00 31.92 C ATOM 1463 OE1 GLN B 61 53.720 49.604 3.002 1.00 41.94 O ATOM 1464 NE2 GLN B 61 52.255 50.952 1.969 1.00 35.62 N ATOM 1465 HE22 GLN B 61 51.269 51.271 1.879 1.00 0.00 H ATOM 1466 HE21 GLN B 61 52.993 51.367 1.365 1.00 0.00 H ATOM 1467 H GLN B 61 53.692 50.422 5.951 1.00 0.00 H ATOM 1468 N ILE B 62 52.004 53.234 6.886 1.00 20.55 N ATOM 1469 CA ILE B 62 51.544 54.398 7.637 1.00 22.81 C ATOM 1470 C ILE B 62 51.893 55.650 6.844 1.00 20.78 C ATOM 1471 O ILE B 62 53.032 55.803 6.396 1.00 21.77 O ATOM 1472 CB ILE B 62 52.193 54.453 9.029 1.00 20.03 C ATOM 1473 CG1 ILE B 62 51.869 53.181 9.830 1.00 23.46 C ATOM 1474 CG2 ILE B 62 51.775 55.714 9.752 1.00 22.09 C ATOM 1475 CD1 ILE B 62 50.397 52.928 10.050 1.00 30.15 C ATOM 1476 H ILE B 62 52.997 52.940 6.978 1.00 0.00 H ATOM 1477 N LEU B 63 50.939 56.568 6.722 1.00 29.21 N ATOM 1478 CA LEU B 63 51.157 57.829 6.021 1.00 26.21 C ATOM 1479 C LEU B 63 51.743 58.870 6.967 1.00 23.60 C ATOM 1480 O LEU B 63 51.158 59.165 8.015 1.00 28.10 O ATOM 1481 CB LEU B 63 49.844 58.343 5.429 1.00 27.23 C ATOM 1482 H LEU B 63 50.005 56.381 7.141 1.00 0.00 H ATOM 1483 N ILE B 64 52.901 59.419 6.596 1.00 28.48 N ATOM 1484 CA ILE B 64 53.505 60.550 7.292 1.00 22.08 C ATOM 1485 C ILE B 64 53.756 61.655 6.280 1.00 23.76 C ATOM 1486 O ILE B 64 54.356 61.418 5.226 1.00 26.52 O ATOM 1487 CB ILE B 64 54.830 60.197 7.996 1.00 27.89 C ATOM 1488 CG1 ILE B 64 54.629 59.094 9.031 1.00 36.70 C ATOM 1489 CG2 ILE B 64 55.420 61.459 8.677 1.00 23.35 C ATOM 1490 CD1 ILE B 64 55.884 58.797 9.880 1.00 27.03 C ATOM 1491 H ILE B 64 53.396 59.022 5.772 1.00 0.00 H ATOM 1492 N GLU B 65 53.343 62.865 6.617 1.00 21.52 N ATOM 1493 CA GLU B 65 53.706 64.042 5.845 1.00 24.30 C ATOM 1494 C GLU B 65 54.872 64.727 6.544 1.00 26.86 C ATOM 1495 O GLU B 65 54.780 65.050 7.731 1.00 25.10 O ATOM 1496 CB GLU B 65 52.513 64.983 5.709 1.00 27.23 C ATOM 1497 CG GLU B 65 52.744 66.146 4.806 1.00 28.84 C ATOM 1498 CD GLU B 65 51.488 66.982 4.646 1.00 30.48 C ATOM 1499 OE1 GLU B 65 50.451 66.418 4.225 1.00 25.85 O ATOM 1500 OE2 GLU B 65 51.539 68.190 4.947 1.00 28.02 O ATOM 1501 H GLU B 65 52.742 62.978 7.458 1.00 0.00 H ATOM 1502 N ILE B 66 55.961 64.931 5.807 1.00 23.65 N ATOM 1503 CA ILE B 66 57.212 65.476 6.328 1.00 28.25 C ATOM 1504 C ILE B 66 57.483 66.768 5.562 1.00 28.59 C ATOM 1505 O ILE B 66 57.811 66.740 4.367 1.00 22.56 O ATOM 1506 CB ILE B 66 58.375 64.481 6.172 1.00 27.18 C ATOM 1507 CG1 ILE B 66 58.061 63.154 6.864 1.00 31.61 C ATOM 1508 CG2 ILE B 66 59.677 65.033 6.741 1.00 26.43 C ATOM 1509 CD1 ILE B 66 58.844 61.980 6.291 1.00 26.58 C ATOM 1510 H ILE B 66 55.919 64.687 4.797 1.00 0.00 H ATOM 1511 N CYS B 67 57.324 67.905 6.233 1.00 35.85 N ATOM 1512 CA CYS B 67 57.535 69.203 5.588 1.00 25.79 C ATOM 1513 C CYS B 67 56.728 69.322 4.302 1.00 28.27 C ATOM 1514 O CYS B 67 57.243 69.729 3.262 1.00 30.73 O ATOM 1515 CB CYS B 67 59.012 69.431 5.272 1.00 36.07 C ATOM 1516 SG CYS B 67 59.987 69.866 6.625 1.00 48.17 S ATOM 1517 H CYS B 67 57.045 67.872 7.234 1.00 0.00 H ATOM 1518 N GLY B 68 55.458 68.941 4.360 1.00 30.00 N ATOM 1519 CA GLY B 68 54.623 69.019 3.178 1.00 28.77 C ATOM 1520 C GLY B 68 54.848 67.937 2.139 1.00 30.29 C ATOM 1521 O GLY B 68 54.127 67.913 1.131 1.00 29.83 O ATOM 1522 H GLY B 68 55.062 68.586 5.254 1.00 0.00 H ATOM 1523 N HIS B 69 55.817 67.049 2.338 1.00 24.26 N ATOM 1524 CA HIS B 69 56.049 65.930 1.433 1.00 24.60 C ATOM 1525 C HIS B 69 55.419 64.669 2.015 1.00 26.99 C ATOM 1526 O HIS B 69 55.744 64.269 3.137 1.00 28.63 O ATOM 1527 CB HIS B 69 57.543 65.710 1.203 1.00 26.53 C ATOM 1528 CG HIS B 69 58.204 66.798 0.416 1.00 27.11 C ATOM 1529 ND1 HIS B 69 58.336 68.084 0.892 1.00 30.57 N ATOM 1530 CD2 HIS B 69 58.783 66.786 -0.808 1.00 24.35 C ATOM 1531 CE1 HIS B 69 58.967 68.819 -0.008 1.00 31.16 C ATOM 1532 NE2 HIS B 69 59.254 68.056 -1.046 1.00 36.34 N ATOM 1533 H HIS B 69 56.432 67.157 3.170 1.00 0.00 H ATOM 1534 N LYS B 70 54.559 64.022 1.238 1.00 19.46 N ATOM 1535 CA LYS B 70 53.871 62.834 1.716 1.00 24.43 C ATOM 1536 C LYS B 70 54.719 61.584 1.532 1.00 16.97 C ATOM 1537 O LYS B 70 55.444 61.431 0.549 1.00 21.04 O ATOM 1538 CB LYS B 70 52.540 62.659 0.993 1.00 18.41 C ATOM 1539 CG LYS B 70 51.485 63.683 1.403 1.00 27.78 C ATOM 1540 CD LYS B 70 50.138 63.377 0.747 1.00 30.07 C ATOM 1541 CE LYS B 70 49.078 64.432 1.050 1.00 28.54 C ATOM 1542 NZ LYS B 70 49.463 65.794 0.592 1.00 38.90 N ATOM 1543 HZ1 LYS B 70 50.341 66.083 1.068 1.00 0.00 H ATOM 1544 HZ2 LYS B 70 49.612 65.783 -0.437 1.00 0.00 H ATOM 1545 HZ3 LYS B 70 48.703 66.465 0.826 1.00 0.00 H ATOM 1546 H LYS B 70 54.375 64.369 0.275 1.00 0.00 H ATOM 1547 N ALA B 71 54.593 60.667 2.490 1.00 21.74 N ATOM 1548 CA ALA B 71 55.318 59.409 2.449 1.00 19.90 C ATOM 1549 C ALA B 71 54.448 58.338 3.094 1.00 24.65 C ATOM 1550 O ALA B 71 53.516 58.640 3.842 1.00 27.38 O ATOM 1551 CB ALA B 71 56.670 59.521 3.158 1.00 22.96 C ATOM 1552 H ALA B 71 53.957 60.857 3.291 1.00 0.00 H ATOM 1553 N ILE B 72 54.727 57.079 2.771 1.00 22.78 N ATOM 1554 CA ILE B 72 53.944 55.992 3.349 1.00 19.83 C ATOM 1555 C ILE B 72 54.828 54.757 3.458 1.00 18.12 C ATOM 1556 O ILE B 72 55.477 54.346 2.495 1.00 18.47 O ATOM 1557 CB ILE B 72 52.655 55.717 2.541 1.00 28.79 C ATOM 1558 CG1 ILE B 72 51.911 54.510 3.116 1.00 30.95 C ATOM 1559 CG2 ILE B 72 52.973 55.476 1.088 1.00 26.94 C ATOM 1560 CD1 ILE B 72 50.445 54.441 2.711 1.00 28.95 C ATOM 1561 H ILE B 72 55.501 56.870 2.108 1.00 0.00 H ATOM 1562 N GLY B 73 54.877 54.172 4.646 1.00 22.61 N ATOM 1563 CA GLY B 73 55.728 53.012 4.828 1.00 20.85 C ATOM 1564 C GLY B 73 55.780 52.596 6.279 1.00 18.23 C ATOM 1565 O GLY B 73 54.903 52.936 7.079 1.00 19.84 O ATOM 1566 H GLY B 73 54.312 54.540 5.438 1.00 0.00 H ATOM 1567 N THR B 74 56.842 51.884 6.602 1.00 14.94 N ATOM 1568 CA THR B 74 56.989 51.339 7.940 1.00 21.11 C ATOM 1569 C THR B 74 57.266 52.449 8.939 1.00 19.22 C ATOM 1570 O THR B 74 58.172 53.267 8.751 1.00 17.95 O ATOM 1571 CB THR B 74 58.110 50.306 7.945 1.00 21.99 C ATOM 1572 OG1 THR B 74 57.778 49.267 7.018 1.00 27.55 O ATOM 1573 CG2 THR B 74 58.279 49.698 9.317 1.00 22.05 C ATOM 1574 HG1 THR B 74 56.926 48.842 7.291 1.00 0.00 H ATOM 1575 H THR B 74 57.582 51.711 5.892 1.00 0.00 H ATOM 1576 N VAL B 75 56.454 52.493 9.983 1.00 17.36 N ATOM 1577 CA VAL B 75 56.686 53.344 11.137 1.00 14.63 C ATOM 1578 C VAL B 75 56.756 52.443 12.368 1.00 18.86 C ATOM 1579 O VAL B 75 55.840 51.651 12.620 1.00 18.12 O ATOM 1580 CB VAL B 75 55.593 54.416 11.258 1.00 20.49 C ATOM 1581 CG1 VAL B 75 55.704 55.175 12.568 1.00 24.36 C ATOM 1582 CG2 VAL B 75 55.705 55.363 10.055 1.00 23.03 C ATOM 1583 H VAL B 75 55.608 51.888 9.977 1.00 0.00 H ATOM 1584 N LEU B 76 57.865 52.531 13.100 1.00 16.18 N ATOM 1585 CA LEU B 76 58.031 51.856 14.372 1.00 15.54 C ATOM 1586 C LEU B 76 57.656 52.793 15.506 1.00 20.36 C ATOM 1587 O LEU B 76 57.847 54.011 15.413 1.00 18.82 O ATOM 1588 CB LEU B 76 59.477 51.390 14.548 1.00 15.35 C ATOM 1589 CG LEU B 76 60.123 50.679 13.362 1.00 14.66 C ATOM 1590 CD1 LEU B 76 61.593 50.524 13.632 1.00 16.08 C ATOM 1591 CD2 LEU B 76 59.488 49.328 13.079 1.00 16.69 C ATOM 1592 H LEU B 76 58.650 53.112 12.742 1.00 0.00 H ATOM 1593 N VAL B 77 57.113 52.217 16.578 1.00 16.57 N ATOM 1594 CA VAL B 77 56.680 52.973 17.750 1.00 14.51 C ATOM 1595 C VAL B 77 57.218 52.289 18.999 1.00 18.20 C ATOM 1596 O VAL B 77 57.028 51.082 19.181 1.00 17.65 O ATOM 1597 CB VAL B 77 55.146 53.092 17.823 1.00 23.20 C ATOM 1598 CG1 VAL B 77 54.732 53.968 19.009 1.00 23.43 C ATOM 1599 CG2 VAL B 77 54.602 53.673 16.532 1.00 16.91 C ATOM 1600 H VAL B 77 56.992 51.184 16.580 1.00 0.00 H ATOM 1601 N GLY B 78 57.883 53.054 19.860 1.00 15.40 N ATOM 1602 CA GLY B 78 58.470 52.490 21.051 1.00 17.35 C ATOM 1603 C GLY B 78 59.065 53.572 21.916 1.00 18.96 C ATOM 1604 O GLY B 78 58.888 54.756 21.645 1.00 17.32 O ATOM 1605 H GLY B 78 57.981 54.072 19.672 1.00 0.00 H ATOM 1606 N PRO B 79 59.767 53.193 22.988 1.00 17.28 N ATOM 1607 CA PRO B 79 60.272 54.203 23.935 1.00 24.01 C ATOM 1608 C PRO B 79 61.550 54.877 23.446 1.00 26.49 C ATOM 1609 O PRO B 79 62.613 54.789 24.068 1.00 20.64 O ATOM 1610 CB PRO B 79 60.497 53.372 25.205 1.00 16.89 C ATOM 1611 CG PRO B 79 60.889 52.019 24.688 1.00 16.57 C ATOM 1612 CD PRO B 79 59.997 51.820 23.475 1.00 20.63 C ATOM 1613 N THR B 80 61.458 55.537 22.296 1.00 20.06 N ATOM 1614 CA THR B 80 62.586 56.326 21.824 1.00 19.54 C ATOM 1615 C THR B 80 62.565 57.697 22.497 1.00 20.31 C ATOM 1616 O THR B 80 61.497 58.217 22.825 1.00 21.46 O ATOM 1617 CB THR B 80 62.549 56.479 20.300 1.00 23.53 C ATOM 1618 OG1 THR B 80 63.623 57.331 19.866 1.00 21.58 O ATOM 1619 CG2 THR B 80 61.211 57.050 19.829 1.00 18.78 C ATOM 1620 HG1 THR B 80 63.591 57.424 18.881 1.00 0.00 H ATOM 1621 H THR B 80 60.583 55.490 21.736 1.00 0.00 H ATOM 1622 N PRO B 81 63.735 58.284 22.769 1.00 23.02 N ATOM 1623 CA PRO B 81 63.748 59.661 23.299 1.00 24.07 C ATOM 1624 C PRO B 81 63.406 60.719 22.272 1.00 23.32 C ATOM 1625 O PRO B 81 63.123 61.862 22.663 1.00 18.68 O ATOM 1626 CB PRO B 81 65.190 59.832 23.803 1.00 27.48 C ATOM 1627 CG PRO B 81 65.990 58.877 22.989 1.00 23.07 C ATOM 1628 CD PRO B 81 65.082 57.686 22.752 1.00 23.40 C ATOM 1629 N VAL B 82 63.388 60.367 21.006 1.00 17.21 N ATOM 1630 CA VAL B 82 63.060 61.357 20.022 1.00 18.75 C ATOM 1631 C VAL B 82 62.419 60.721 18.822 1.00 14.27 C ATOM 1632 O VAL B 82 62.691 59.576 18.491 1.00 19.61 O ATOM 1633 CB VAL B 82 64.320 62.119 19.564 1.00 23.78 C ATOM 1634 CG1 VAL B 82 65.442 61.151 19.245 1.00 28.63 C ATOM 1635 CG2 VAL B 82 64.014 62.992 18.359 1.00 28.88 C ATOM 1636 H VAL B 82 63.607 59.390 20.724 1.00 0.00 H ATOM 1637 N ASN B 83 61.526 61.468 18.204 1.00 13.78 N ATOM 1638 CA ASN B 83 60.925 61.026 16.959 1.00 16.33 C ATOM 1639 C ASN B 83 62.001 61.091 15.880 1.00 16.42 C ATOM 1640 O ASN B 83 62.728 62.089 15.774 1.00 14.15 O ATOM 1641 CB ASN B 83 59.725 61.893 16.580 1.00 15.64 C ATOM 1642 CG ASN B 83 58.586 61.818 17.590 1.00 19.53 C ATOM 1643 OD1 ASN B 83 58.113 60.736 17.974 1.00 17.08 O ATOM 1644 ND2 ASN B 83 58.105 62.985 17.985 1.00 19.34 N ATOM 1645 HD22 ASN B 83 58.532 63.868 17.638 1.00 0.00 H ATOM 1646 HD21 ASN B 83 57.300 63.020 18.642 1.00 0.00 H ATOM 1647 H ASN B 83 61.249 62.383 18.613 1.00 0.00 H ATOM 1648 N ILE B 84 62.106 60.020 15.095 1.00 10.97 N ATOM 1649 CA ILE B 84 63.175 59.831 14.125 1.00 16.39 C ATOM 1650 C ILE B 84 62.556 59.436 12.791 1.00 16.67 C ATOM 1651 O ILE B 84 61.825 58.441 12.714 1.00 14.33 O ATOM 1652 CB ILE B 84 64.168 58.756 14.594 1.00 13.03 C ATOM 1653 CG1 ILE B 84 64.972 59.265 15.787 1.00 15.84 C ATOM 1654 CG2 ILE B 84 65.112 58.321 13.448 1.00 16.15 C ATOM 1655 CD1 ILE B 84 65.726 58.192 16.498 1.00 17.34 C ATOM 1656 H ILE B 84 61.383 59.277 15.180 1.00 0.00 H ATOM 1657 N ILE B 85 62.841 60.208 11.749 1.00 10.52 N ATOM 1658 CA ILE B 85 62.492 59.828 10.389 1.00 12.63 C ATOM 1659 C ILE B 85 63.706 59.148 9.788 1.00 14.43 C ATOM 1660 O ILE B 85 64.772 59.761 9.673 1.00 13.35 O ATOM 1661 CB ILE B 85 62.085 61.034 9.533 1.00 15.02 C ATOM 1662 CG1 ILE B 85 61.005 61.871 10.220 1.00 17.27 C ATOM 1663 CG2 ILE B 85 61.655 60.531 8.170 1.00 15.89 C ATOM 1664 CD1 ILE B 85 59.699 61.132 10.482 1.00 19.36 C ATOM 1665 H ILE B 85 63.329 61.112 11.910 1.00 0.00 H ATOM 1666 N GLY B 86 63.544 57.888 9.386 1.00 10.85 N ATOM 1667 CA GLY B 86 64.646 57.096 8.881 1.00 15.48 C ATOM 1668 C GLY B 86 64.671 57.019 7.363 1.00 10.68 C ATOM 1669 O GLY B 86 63.833 57.582 6.662 1.00 14.30 O ATOM 1670 H GLY B 86 62.597 57.460 9.436 1.00 0.00 H ATOM 1671 N ARG B 87 65.674 56.292 6.856 1.00 11.95 N ATOM 1672 CA ARG B 87 65.901 56.268 5.417 1.00 15.16 C ATOM 1673 C ARG B 87 64.694 55.742 4.657 1.00 17.08 C ATOM 1674 O ARG B 87 64.426 56.192 3.535 1.00 14.86 O ATOM 1675 CB ARG B 87 67.132 55.439 5.085 1.00 12.29 C ATOM 1676 CG ARG B 87 68.409 56.042 5.602 1.00 15.05 C ATOM 1677 CD ARG B 87 69.638 55.285 5.123 1.00 14.49 C ATOM 1678 NE ARG B 87 69.666 53.907 5.610 1.00 16.23 N ATOM 1679 CZ ARG B 87 69.311 52.829 4.906 1.00 18.15 C ATOM 1680 NH1 ARG B 87 68.901 52.932 3.646 1.00 16.81 N ATOM 1681 NH2 ARG B 87 69.375 51.630 5.475 1.00 19.13 N ATOM 1682 HE ARG B 87 69.989 53.753 6.586 1.00 0.00 H ATOM 1683 HH12 ARG B 87 68.629 52.079 3.116 1.00 0.00 H ATOM 1684 HH11 ARG B 87 68.852 53.865 3.190 1.00 0.00 H ATOM 1685 HH22 ARG B 87 69.101 50.784 4.936 1.00 0.00 H ATOM 1686 HH21 ARG B 87 69.699 51.538 6.459 1.00 0.00 H ATOM 1687 H ARG B 87 66.291 55.744 7.489 1.00 0.00 H ATOM 1688 N ASN B 88 63.934 54.830 5.260 1.00 15.47 N ATOM 1689 CA ASN B 88 62.788 54.262 4.561 1.00 14.48 C ATOM 1690 C ASN B 88 61.796 55.338 4.136 1.00 16.74 C ATOM 1691 O ASN B 88 61.150 55.199 3.095 1.00 18.38 O ATOM 1692 CB ASN B 88 62.109 53.195 5.437 1.00 13.43 C ATOM 1693 CG ASN B 88 61.290 53.783 6.578 1.00 18.43 C ATOM 1694 OD1 ASN B 88 61.791 54.558 7.397 1.00 16.66 O ATOM 1695 ND2 ASN B 88 60.010 53.394 6.647 1.00 18.04 N ATOM 1696 HD22 ASN B 88 59.627 52.739 5.936 1.00 0.00 H ATOM 1697 HD21 ASN B 88 59.400 53.747 7.412 1.00 0.00 H ATOM 1698 H ASN B 88 64.158 54.523 6.228 1.00 0.00 H ATOM 1699 N LEU B 89 61.655 56.419 4.902 1.00 14.58 N ATOM 1700 CA LEU B 89 60.798 57.512 4.451 1.00 16.26 C ATOM 1701 C LEU B 89 61.566 58.675 3.835 1.00 18.86 C ATOM 1702 O LEU B 89 60.993 59.406 3.014 1.00 17.04 O ATOM 1703 CB LEU B 89 59.939 58.032 5.603 1.00 13.37 C ATOM 1704 CG LEU B 89 59.112 56.957 6.306 1.00 18.05 C ATOM 1705 CD1 LEU B 89 58.247 57.608 7.362 1.00 20.11 C ATOM 1706 CD2 LEU B 89 58.254 56.166 5.338 1.00 16.81 C ATOM 1707 H LEU B 89 62.151 56.484 5.814 1.00 0.00 H ATOM 1708 N LEU B 90 62.840 58.866 4.205 1.00 11.22 N ATOM 1709 CA LEU B 90 63.629 59.945 3.618 1.00 12.46 C ATOM 1710 C LEU B 90 63.794 59.765 2.110 1.00 18.22 C ATOM 1711 O LEU B 90 63.781 60.749 1.359 1.00 20.77 O ATOM 1712 CB LEU B 90 64.997 60.034 4.286 1.00 12.53 C ATOM 1713 CG LEU B 90 65.077 60.457 5.755 1.00 10.74 C ATOM 1714 CD1 LEU B 90 66.506 60.275 6.243 1.00 16.22 C ATOM 1715 CD2 LEU B 90 64.634 61.862 5.988 1.00 15.79 C ATOM 1716 H LEU B 90 63.270 58.241 4.916 1.00 0.00 H ATOM 1717 N THR B 91 63.991 58.531 1.645 1.00 15.54 N ATOM 1718 CA THR B 91 64.047 58.311 0.194 1.00 18.60 C ATOM 1719 C THR B 91 62.759 58.775 -0.471 1.00 22.96 C ATOM 1720 O THR B 91 62.781 59.338 -1.570 1.00 19.18 O ATOM 1721 CB THR B 91 64.280 56.841 -0.138 1.00 22.44 C ATOM 1722 OG1 THR B 91 63.235 56.062 0.446 1.00 20.76 O ATOM 1723 CG2 THR B 91 65.628 56.368 0.370 1.00 18.69 C ATOM 1724 HG1 THR B 91 63.380 55.106 0.234 1.00 0.00 H ATOM 1725 H THR B 91 64.104 57.733 2.302 1.00 0.00 H ATOM 1726 N GLN B 92 61.626 58.561 0.186 1.00 20.06 N ATOM 1727 CA GLN B 92 60.353 58.859 -0.446 1.00 21.18 C ATOM 1728 C GLN B 92 60.103 60.352 -0.597 1.00 26.95 C ATOM 1729 O GLN B 92 59.272 60.742 -1.427 1.00 24.35 O ATOM 1730 CB GLN B 92 59.224 58.220 0.351 1.00 19.56 C ATOM 1731 CG GLN B 92 59.248 56.704 0.314 1.00 20.08 C ATOM 1732 CD GLN B 92 58.033 56.096 0.984 1.00 24.61 C ATOM 1733 OE1 GLN B 92 56.956 56.686 0.977 1.00 23.94 O ATOM 1734 NE2 GLN B 92 58.208 54.914 1.589 1.00 27.13 N ATOM 1735 HE22 GLN B 92 59.140 54.452 1.568 1.00 0.00 H ATOM 1736 HE21 GLN B 92 57.412 54.458 2.080 1.00 0.00 H ATOM 1737 H GLN B 92 61.650 58.180 1.153 1.00 0.00 H ATOM 1738 N ILE B 93 60.773 61.197 0.190 1.00 22.24 N ATOM 1739 CA ILE B 93 60.611 62.642 0.059 1.00 21.60 C ATOM 1740 C ILE B 93 61.756 63.269 -0.726 1.00 20.48 C ATOM 1741 O ILE B 93 61.871 64.495 -0.775 1.00 29.44 O ATOM 1742 CB ILE B 93 60.454 63.320 1.430 1.00 31.25 C ATOM 1743 CG1 ILE B 93 61.774 63.320 2.218 1.00 25.04 C ATOM 1744 CG2 ILE B 93 59.357 62.631 2.217 1.00 23.41 C ATOM 1745 CD1 ILE B 93 61.736 64.175 3.461 1.00 23.15 C ATOM 1746 H ILE B 93 61.422 60.819 0.909 1.00 0.00 H ATOM 1747 N GLY B 94 62.607 62.458 -1.337 1.00 25.09 N ATOM 1748 CA GLY B 94 63.671 62.977 -2.175 1.00 28.18 C ATOM 1749 C GLY B 94 64.865 63.529 -1.431 1.00 23.20 C ATOM 1750 O GLY B 94 65.610 64.340 -1.989 1.00 21.66 O ATOM 1751 H GLY B 94 62.510 61.430 -1.213 1.00 0.00 H ATOM 1752 N CYS B 95 65.085 63.093 -0.193 1.00 22.64 N ATOM 1753 CA CYS B 95 66.135 63.650 0.645 1.00 20.22 C ATOM 1754 C CYS B 95 67.484 63.020 0.323 1.00 19.94 C ATOM 1755 O CYS B 95 67.622 61.790 0.297 1.00 21.47 O ATOM 1756 CB CYS B 95 65.780 63.444 2.119 1.00 20.64 C ATOM 1757 SG CYS B 95 66.885 64.250 3.266 1.00 23.68 S ATOM 1758 H CYS B 95 64.488 62.331 0.187 1.00 0.00 H ATOM 1759 N THR B 96 68.479 63.874 0.090 1.00 14.98 N ATOM 1760 CA THR B 96 69.864 63.478 -0.119 1.00 20.31 C ATOM 1761 C THR B 96 70.782 64.172 0.880 1.00 15.10 C ATOM 1762 O THR B 96 70.446 65.218 1.440 1.00 19.37 O ATOM 1763 CB THR B 96 70.358 63.832 -1.536 1.00 20.97 C ATOM 1764 OG1 THR B 96 70.122 65.226 -1.790 1.00 14.89 O ATOM 1765 CG2 THR B 96 69.673 62.963 -2.600 1.00 23.04 C ATOM 1766 HG1 THR B 96 69.152 65.413 -1.721 1.00 0.00 H ATOM 1767 H THR B 96 68.252 64.888 0.055 1.00 0.00 H ATOM 1768 N LEU B 97 71.960 63.570 1.069 1.00 18.55 N ATOM 1769 CA LEU B 97 73.092 64.205 1.729 1.00 22.01 C ATOM 1770 C LEU B 97 73.986 64.821 0.669 1.00 25.02 C ATOM 1771 O LEU B 97 74.207 64.226 -0.390 1.00 24.41 O ATOM 1772 CB LEU B 97 73.915 63.204 2.539 1.00 17.23 C ATOM 1773 CG LEU B 97 73.358 62.767 3.874 1.00 20.03 C ATOM 1774 CD1 LEU B 97 74.064 61.484 4.342 1.00 24.17 C ATOM 1775 CD2 LEU B 97 73.544 63.905 4.873 1.00 21.48 C ATOM 1776 H LEU B 97 72.074 62.595 0.726 1.00 0.00 H ATOM 1777 N ASN B 98 74.498 66.017 0.952 1.00 21.98 N ATOM 1778 CA ASN B 98 75.290 66.745 -0.032 1.00 21.74 C ATOM 1779 C ASN B 98 76.480 67.415 0.625 1.00 21.79 C ATOM 1780 O ASN B 98 76.319 68.115 1.629 1.00 22.01 O ATOM 1781 CB ASN B 98 74.441 67.794 -0.734 1.00 22.61 C ATOM 1782 CG ASN B 98 73.253 67.195 -1.418 1.00 25.75 C ATOM 1783 OD1 ASN B 98 72.198 67.000 -0.807 1.00 27.36 O ATOM 1784 ND2 ASN B 98 73.411 66.890 -2.694 1.00 21.73 N ATOM 1785 HD22 ASN B 98 74.320 67.074 -3.164 1.00 0.00 H ATOM 1786 HD21 ASN B 98 72.626 66.466 -3.228 1.00 0.00 H ATOM 1787 H ASN B 98 74.331 66.438 1.888 1.00 0.00 H ATOM 1788 N PHE B 99 77.664 67.197 0.052 1.00 21.87 N ATOM 1789 CA PHE B 99 78.850 67.964 0.412 1.00 23.45 C ATOM 1790 C PHE B 99 79.872 67.933 -0.715 1.00 30.24 C ATOM 1791 O PHE B 99 80.884 68.633 -0.645 1.00 30.97 O ATOM 1792 CB PHE B 99 79.491 67.440 1.704 1.00 24.36 C ATOM 1793 CG PHE B 99 79.898 65.999 1.651 1.00 21.36 C ATOM 1794 CD1 PHE B 99 78.992 65.003 1.957 1.00 21.51 C ATOM 1795 CD2 PHE B 99 81.197 65.644 1.337 1.00 23.96 C ATOM 1796 CE1 PHE B 99 79.370 63.674 1.931 1.00 25.55 C ATOM 1797 CE2 PHE B 99 81.586 64.319 1.311 1.00 30.00 C ATOM 1798 CZ PHE B 99 80.672 63.329 1.607 1.00 29.36 C ATOM 1799 OXT PHE B 99 79.710 67.213 -1.698 1.00 32.97 O ATOM 1800 H PHE B 99 77.744 66.457 -0.674 1.00 0.00 H TER 1801 PHE B 99 HETATM 1802 O HOH 1 58.482 48.751 23.373 1.00 33.31 O HETATM 1803 O HOH 2 59.651 64.729 20.811 1.00 35.56 O HETATM 1804 O HOH 3 56.712 62.439 -1.321 1.00 27.79 O HETATM 1805 O HOH 4 81.931 70.214 0.992 1.00 32.73 O HETATM 1806 O HOH 5 71.502 74.349 11.108 1.00 22.61 O HETATM 1807 O HOH 6 47.599 49.376 17.333 1.00 27.70 O HETATM 1808 O HOH 7 63.711 53.694 1.304 1.00 32.07 O HETATM 1809 O HOH 8 71.555 76.545 3.684 1.00 29.81 O HETATM 1810 O HOH 9 55.134 49.723 5.152 1.00 21.70 O HETATM 1811 O HOH 10 55.540 61.918 22.083 1.00 36.76 O HETATM 1812 O HOH 11 71.885 50.024 27.991 1.00 34.66 O HETATM 1813 O HOH 12 69.470 71.240 11.420 1.00 20.75 O HETATM 1814 O HOH 13 50.525 41.455 13.357 1.00 31.62 O HETATM 1815 O HOH 14 67.433 59.507 -1.049 1.00 17.91 O HETATM 1816 O HOH 15 66.774 71.952 15.821 1.00 21.94 O HETATM 1817 O HOH 16 67.839 65.928 -2.986 1.00 24.01 O HETATM 1818 O HOH 17 48.903 58.433 9.262 1.00 36.83 O HETATM 1819 O HOH 18 61.499 49.484 5.752 1.00 36.15 O HETATM 1820 O HOH 19 48.372 56.354 7.565 1.00 37.09 O HETATM 1821 O HOH 20 71.161 54.450 7.939 1.00 20.63 O HETATM 1822 O HOH 21 64.569 65.077 -4.398 1.00 19.84 O HETATM 1823 O HOH 22 68.174 48.892 26.364 1.00 26.49 O HETATM 1824 O HOH 23 66.030 75.765 2.100 1.00 40.15 O HETATM 1825 O HOH 24 55.512 60.141 18.706 1.00 18.78 O HETATM 1826 O HOH 25 61.194 64.738 18.756 1.00 22.79 O HETATM 1827 O HOH 26 52.437 64.136 19.774 1.00 30.84 O HETATM 1828 O HOH 27 50.429 47.692 10.239 1.00 35.74 O HETATM 1829 O HOH 28 70.428 48.684 27.034 1.00 28.89 O HETATM 1830 O HOH 29 58.896 51.588 4.682 1.00 23.46 O HETATM 1831 O HOH 30 69.712 52.138 11.750 1.00 18.61 O HETATM 1832 O HOH 31 58.133 39.761 15.192 1.00 31.62 O HETATM 1833 O HOH 32 55.203 59.592 24.085 1.00 36.44 O HETATM 1834 O HOH 33 70.613 63.480 23.648 1.00 46.11 O HETATM 1835 O HOH 34 65.499 71.521 10.439 1.00 35.05 O HETATM 1836 O HOH 35 62.515 48.154 25.204 1.00 20.40 O HETATM 1837 O HOH 36 65.264 60.095 -2.815 1.00 31.47 O HETATM 1838 O HOH 37 48.725 49.449 9.289 1.00 35.29 O HETATM 1839 O HOH 38 59.348 71.903 9.858 1.00 33.54 O HETATM 1840 O HOH 39 57.074 66.079 18.942 1.00 23.35 O HETATM 1841 O HOH 40 69.524 75.117 8.227 1.00 34.58 O HETATM 1842 O HOH 41 48.889 68.155 16.577 1.00 39.51 O HETATM 1843 O HOH 42 70.331 45.655 24.626 1.00 37.35 O HETATM 1844 O HOH 43 55.840 63.378 19.857 1.00 28.61 O HETATM 1845 O HOH 44 50.723 51.307 23.985 1.00 39.19 O HETATM 1846 O HOH 45 65.774 51.575 4.915 1.00 26.69 O HETATM 1847 O HOH 46 67.317 44.175 14.583 1.00 35.72 O HETATM 1848 O HOH 47 65.729 66.587 19.848 1.00 26.06 O HETATM 1849 O HOH 48 68.680 47.461 14.517 1.00 25.76 O HETATM 1850 O HOH 49 60.729 52.740 1.422 1.00 35.55 O HETATM 1851 O HOH 50 58.745 57.423 23.746 1.00 23.85 O HETATM 1852 O HOH 51 69.915 49.122 3.893 1.00 36.21 O HETATM 1853 O HOH 52 69.970 76.177 5.317 1.00 33.34 O HETATM 1854 O HOH 53 70.132 71.179 18.337 1.00 21.11 O HETATM 1855 O HOH 54 54.877 70.226 15.905 1.00 29.18 O HETATM 1856 O HOH 55 67.914 50.089 3.205 1.00 33.28 O HETATM 1857 O HOH 56 46.484 67.299 15.800 1.00 31.46 O HETATM 1858 O HOH 57 48.705 43.405 16.251 1.00 25.48 O HETATM 1859 O HOH 58 70.216 50.184 13.596 1.00 23.75 O HETATM 1860 O HOH 59 59.284 61.796 24.787 1.00 32.58 O HETATM 1861 O HOH 60 65.893 43.200 13.165 1.00 33.92 O HETATM 1862 O HOH 61 67.108 45.833 26.237 1.00 42.72 O HETATM 1863 O HOH 62 77.616 72.139 15.643 1.00 33.41 O HETATM 1864 O HOH 63 47.364 62.782 8.872 1.00 34.59 O HETATM 1865 O HOH 64 65.535 45.812 9.532 1.00 33.90 O HETATM 1866 O HOH 65 76.137 68.216 -4.159 1.00 31.37 O HETATM 1867 O HOH 66 61.227 47.173 9.735 1.00 33.79 O HETATM 1868 O HOH 67 53.924 68.420 7.405 1.00 32.67 O HETATM 1869 O HOH 68 60.867 59.320 -4.466 1.00 40.25 O HETATM 1870 O HOH 69 67.407 72.531 11.581 1.00 26.38 O HETATM 1871 O HOH 70 59.140 49.925 3.825 1.00 38.68 O HETATM 1872 O HOH 71 58.787 51.472 2.609 1.00 42.55 O HETATM 1873 O HOH 72 60.912 47.520 7.709 1.00 31.76 O HETATM 1874 O HOH 73 49.803 57.473 24.015 1.00 43.15 O HETATM 1875 O HOH 74 74.430 77.406 4.189 1.00 35.49 O HETATM 1876 O HOH 75 71.492 46.469 15.373 1.00 27.47 O HETATM 1877 O HOH 76 71.546 78.757 2.235 1.00 30.66 O HETATM 1878 O HOH 77 76.526 70.826 -1.361 1.00 35.26 O HETATM 1879 O HOH 78 55.726 65.515 20.106 1.00 30.34 O HETATM 1880 O HOH 79 67.975 71.630 18.488 1.00 36.99 O HETATM 1881 O HOH 80 58.105 71.765 -2.392 1.00 35.01 O HETATM 1882 O HOH 81 61.097 72.930 9.545 1.00 37.47 O HETATM 1883 O HOH 82 53.675 70.467 8.388 1.00 35.00 O HETATM 1884 O HOH 83 63.431 50.952 3.077 1.00 40.29 O HETATM 1885 O HOH 84 60.194 64.025 25.456 1.00 44.50 O HETATM 1886 O HOH 85 63.393 73.192 8.231 1.00 36.80 O HETATM 1887 O HOH 86 63.265 66.208 19.740 1.00 22.77 O HETATM 1888 O HOH 87 61.653 68.582 20.068 1.00 30.94 O HETATM 1889 O HOH 88 92.333 64.212 23.429 1.00 28.12 O HETATM 1890 O HOH 89 87.074 69.965 5.249 1.00 32.37 O HETATM 1891 O HOH 90 91.708 50.102 14.615 1.00 44.09 O HETATM 1892 O HOH 91 91.999 59.611 30.869 1.00 42.96 O HETATM 1893 O HOH 92 83.072 70.483 15.073 1.00 19.97 O HETATM 1894 O HOH 93 72.384 68.086 21.296 1.00 35.95 O HETATM 1895 O HOH 94 94.779 64.104 14.867 1.00 29.41 O HETATM 1896 O HOH 95 85.918 50.119 12.745 1.00 30.09 O HETATM 1897 O HOH 96 76.475 59.388 -4.920 1.00 32.93 O HETATM 1898 O HOH 97 89.763 49.037 11.809 1.00 43.55 O HETATM 1899 O HOH 98 89.583 71.509 15.536 1.00 20.50 O HETATM 1900 O HOH 99 94.191 61.173 12.847 1.00 25.77 O HETATM 1901 O HOH 100 73.521 55.862 0.793 1.00 21.74 O HETATM 1902 O HOH 101 75.956 70.940 1.246 1.00 22.98 O HETATM 1903 O HOH 102 71.419 55.225 19.193 1.00 14.46 O HETATM 1904 O HOH 103 87.989 68.576 19.200 1.00 19.93 O HETATM 1905 O HOH 104 81.235 66.248 19.803 1.00 36.49 O HETATM 1906 O HOH 105 77.231 68.352 17.671 1.00 23.10 O HETATM 1907 O HOH 106 66.416 53.516 25.881 1.00 29.58 O HETATM 1908 O HOH 107 71.298 55.081 -2.223 1.00 21.45 O HETATM 1909 O HOH 108 75.579 70.595 17.273 1.00 31.17 O HETATM 1910 O HOH 109 70.373 56.444 -6.030 1.00 20.18 O HETATM 1911 O HOH 110 71.176 65.434 15.182 1.00 13.77 O HETATM 1912 O HOH 111 76.263 50.323 22.483 1.00 20.80 O HETATM 1913 O HOH 112 81.790 48.016 18.574 1.00 19.18 O HETATM 1914 O HOH 113 68.586 72.133 -1.661 1.00 26.53 O HETATM 1915 O HOH 114 75.871 71.841 7.818 1.00 17.81 O HETATM 1916 O HOH 115 70.693 64.127 17.542 1.00 14.61 O HETATM 1917 O HOH 116 75.832 51.177 1.853 1.00 25.70 O HETATM 1918 O HOH 117 86.585 53.070 24.811 1.00 32.28 O HETATM 1919 O HOH 118 85.310 70.204 3.186 1.00 33.31 O HETATM 1920 O HOH 119 83.650 51.534 27.392 1.00 34.43 O HETATM 1921 O HOH 120 65.117 49.014 11.880 1.00 24.03 O HETATM 1922 O HOH 121 86.698 68.101 31.055 1.00 44.79 O HETATM 1923 O HOH 122 82.149 63.507 18.859 1.00 15.52 O HETATM 1924 O HOH 123 79.314 72.085 1.043 1.00 30.62 O HETATM 1925 O HOH 124 86.834 52.094 14.678 1.00 34.38 O HETATM 1926 O HOH 125 73.825 50.970 29.572 1.00 24.49 O HETATM 1927 O HOH 126 80.035 62.097 30.594 1.00 29.21 O HETATM 1928 O HOH 127 84.232 68.467 17.374 1.00 17.36 O HETATM 1929 O HOH 128 84.948 51.819 3.811 1.00 36.21 O HETATM 1930 O HOH 129 84.092 48.585 19.760 1.00 18.76 O HETATM 1931 O HOH 130 73.750 70.509 18.903 1.00 31.97 O HETATM 1932 O HOH 131 79.691 51.120 28.673 1.00 23.16 O HETATM 1933 O HOH 132 77.724 53.480 0.654 1.00 33.41 O HETATM 1934 O HOH 133 75.080 65.270 22.711 1.00 31.48 O HETATM 1935 O HOH 134 69.447 58.441 25.633 1.00 38.13 O HETATM 1936 O HOH 135 72.508 49.408 3.259 1.00 23.20 O HETATM 1937 O HOH 136 70.678 60.690 24.668 1.00 37.93 O HETATM 1938 O HOH 137 66.711 70.544 -2.940 1.00 30.43 O HETATM 1939 O HOH 138 84.923 68.552 27.246 1.00 39.68 O HETATM 1940 O HOH 139 94.261 51.097 6.867 1.00 36.11 O HETATM 1941 O HOH 140 74.230 61.763 25.170 1.00 33.80 O HETATM 1942 O HOH 141 100.045 58.755 22.073 1.00 35.81 O HETATM 1943 O HOH 142 91.525 72.072 5.279 1.00 32.27 O HETATM 1944 O HOH 143 74.090 57.839 -4.043 1.00 24.59 O HETATM 1945 O HOH 144 82.019 51.855 37.394 1.00 46.56 O HETATM 1946 O HOH 145 81.425 50.117 11.523 1.00 27.50 O HETATM 1947 O HOH 146 77.563 73.732 2.842 1.00 36.87 O HETATM 1948 O HOH 147 85.855 50.198 10.023 1.00 32.70 O HETATM 1949 O HOH 148 83.872 56.920 0.412 1.00 30.39 O HETATM 1950 O HOH 149 74.277 48.303 13.015 1.00 31.40 O HETATM 1951 O HOH 150 89.110 59.549 2.769 1.00 38.14 O HETATM 1952 O HOH 151 84.132 65.567 -3.441 1.00 39.64 O HETATM 1953 O HOH 152 77.946 73.852 7.474 1.00 36.19 O HETATM 1954 O HOH 153 65.674 52.266 2.392 1.00 33.52 O HETATM 1955 O HOH 154 82.756 52.973 0.950 1.00 35.34 O HETATM 1956 O HOH 155 86.094 48.866 8.645 1.00 36.75 O HETATM 1957 O HOH 156 97.508 60.364 8.442 1.00 32.39 O HETATM 1958 O HOH 157 76.200 55.393 -0.197 1.00 32.35 O HETATM 1959 O HOH 158 85.803 53.195 27.505 1.00 37.90 O HETATM 1960 O HOH 159 82.446 64.667 -5.434 1.00 38.47 O HETATM 1961 O HOH 160 85.442 72.573 0.426 1.00 37.84 O HETATM 1962 O HOH 161 81.633 65.680 22.912 1.00 40.86 O HETATM 1963 O HOH 162 78.998 74.795 6.225 1.00 36.05 O HETATM 1964 O HOH 163 82.689 66.801 -5.282 1.00 46.39 O HETATM 1965 O HOH 164 75.705 48.265 6.694 1.00 36.05 O HETATM 1966 O HOH 165 72.581 47.239 13.910 1.00 37.88 O HETATM 1967 O HOH 166 74.228 48.597 3.118 1.00 32.33 O HETATM 1968 O HOH 167 76.746 73.881 5.835 1.00 36.84 O HETATM 1969 O HOH 168 67.552 68.032 -4.304 1.00 23.81 O HETATM 1970 O HOH 169 81.594 72.455 16.099 1.00 24.74 O HETATM 1971 O HOH 170 69.749 50.681 -3.738 1.00 33.52 O HETATM 1972 O HOH 171 71.701 47.693 1.857 1.00 42.26 O HETATM 1973 N1 K A 13 65.344 51.716 12.597 1.00 -0.34 N HETATM 1974 C2 K A 13 66.258 52.361 13.501 1.00 0.04 C HETATM 1975 C3 K A 13 67.438 51.601 14.074 1.00 -0.04 C HETATM 1976 C4 K A 13 68.372 52.306 15.018 1.00 -0.05 C HETATM 1977 C5 K A 13 68.099 53.750 15.393 1.00 0.09 C HETATM 1978 C6 K A 13 66.936 54.506 14.830 1.00 -0.05 C HETATM 1979 C7 K A 13 66.007 53.789 13.881 1.00 -0.04 C HETATM 1980 H6 K A 13 65.150 54.312 13.470 1.00 0.05 H HETATM 1981 H5 K A 13 66.765 55.543 15.097 1.00 0.06 H HETATM 1982 S8 K A 13 69.194 54.633 16.481 1.00 0.06 S HETATM 1983 O9 K A 13 68.488 55.778 17.105 1.00 -0.15 O HETATM 1984 O10 K A 13 69.669 53.771 17.556 1.00 -0.15 O HETATM 1985 N11 K A 13 70.481 55.192 15.539 1.00 -0.23 N HETATM 1986 C12 K A 13 71.218 54.133 14.887 1.00 0.03 C HETATM 1987 C13 K A 13 72.677 54.525 14.664 1.00 -0.03 C HETATM 1988 C14 K A 13 73.431 54.484 15.994 1.00 -0.06 C HETATM 1989 H10 K A 13 74.481 54.767 15.829 1.00 0.02 H HETATM 1990 H11 K A 13 73.386 53.467 16.410 1.00 0.02 H HETATM 1991 H12 K A 13 72.968 55.189 16.700 1.00 0.02 H HETATM 1992 C15 K A 13 73.321 53.575 13.652 1.00 -0.05 C HETATM 1993 C18 K A 13 73.438 52.158 14.209 1.00 -0.07 C HETATM 1994 H18 K A 13 73.904 51.505 13.456 1.00 0.02 H HETATM 1995 H19 K A 13 72.436 51.777 14.455 1.00 0.02 H HETATM 1996 H20 K A 13 74.058 52.171 15.117 1.00 0.02 H HETATM 1997 H13 K A 13 74.327 53.946 13.404 1.00 0.03 H HETATM 1998 H14 K A 13 72.704 53.551 12.742 1.00 0.03 H HETATM 1999 H9 K A 13 72.716 55.549 14.264 1.00 0.03 H HETATM 2000 H7 K A 13 70.752 53.919 13.914 1.00 0.05 H HETATM 2001 H8 K A 13 71.182 53.232 15.517 1.00 0.05 H HETATM 2002 C16 K A 13 70.204 56.419 14.807 1.00 0.06 C HETATM 2003 C17 K A 13 71.135 57.528 15.285 1.00 0.10 C HETATM 2004 O18 K A 13 71.032 58.602 14.396 1.00 -0.39 O HETATM 2005 H21 K A 13 71.285 58.317 13.526 1.00 0.21 H HETATM 2006 C19 K A 13 70.760 57.948 16.700 1.00 0.08 C HETATM 2007 N20 K A 13 71.758 58.881 17.134 1.00 -0.26 N HETATM 2008 C21 K A 13 72.742 58.528 18.108 1.00 0.32 C HETATM 2009 O22 K A 13 72.715 57.468 18.674 1.00 -0.38 O HETATM 2010 O23 K A 13 73.706 59.527 18.302 1.00 -0.26 O HETATM 2011 C24 K A 13 74.594 59.472 19.500 1.00 0.12 C HETATM 2012 C25 K A 13 75.746 59.956 19.183 1.00 0.08 C HETATM 2013 O26 K A 13 75.584 61.569 19.293 1.00 -0.35 O HETATM 2014 C27 K A 13 74.712 61.778 20.226 1.00 0.16 C HETATM 2015 O28 K A 13 73.537 62.645 19.692 1.00 -0.35 O HETATM 2016 C29 K A 13 72.477 61.873 19.591 1.00 0.05 C HETATM 2017 C30 K A 13 72.730 60.621 20.566 1.00 -0.02 C HETATM 2018 C31 K A 13 74.065 60.426 20.593 1.00 0.04 C HETATM 2019 H32 K A 13 74.371 60.077 21.590 1.00 0.04 H HETATM 2020 H30 K A 13 72.222 59.726 20.177 1.00 0.03 H HETATM 2021 H31 K A 13 72.357 60.844 21.577 1.00 0.03 H HETATM 2022 H28 K A 13 72.355 61.528 18.553 1.00 0.06 H HETATM 2023 H29 K A 13 71.576 62.422 19.903 1.00 0.06 H HETATM 2024 H27 K A 13 75.188 62.249 21.098 1.00 0.09 H HETATM 2025 H25 K A 13 76.016 59.666 18.157 1.00 0.06 H HETATM 2026 H26 K A 13 76.518 59.599 19.880 1.00 0.06 H HETATM 2027 H24 K A 13 74.676 58.440 19.873 1.00 0.07 H HETATM 2028 H23 K A 13 71.766 59.802 16.745 1.00 0.19 H HETATM 2029 C32 K A 13 69.440 58.711 16.728 1.00 0.01 C HETATM 2030 C38 K A 13 69.221 59.212 18.149 1.00 -0.04 C HETATM 2031 C33 K A 13 68.862 58.249 19.271 1.00 -0.06 C HETATM 2032 C34 K A 13 68.650 58.778 20.679 1.00 -0.07 C HETATM 2033 C35 K A 13 68.770 60.270 20.959 1.00 -0.07 C HETATM 2034 C36 K A 13 69.115 61.232 19.836 1.00 -0.07 C HETATM 2035 C37 K A 13 69.335 60.703 18.430 1.00 -0.06 C HETATM 2036 H39 K A 13 69.574 61.389 17.625 1.00 0.06 H HETATM 2037 H38 K A 13 69.204 62.293 20.038 1.00 0.06 H HETATM 2038 H37 K A 13 68.609 60.646 21.963 1.00 0.06 H HETATM 2039 H36 K A 13 68.413 58.093 21.485 1.00 0.06 H HETATM 2040 H35 K A 13 68.758 57.190 19.066 1.00 0.06 H HETATM 2041 H33 K A 13 68.616 58.044 16.436 1.00 0.04 H HETATM 2042 H34 K A 13 69.486 59.563 16.034 1.00 0.04 H HETATM 2043 H22 K A 13 70.713 57.070 17.360 1.00 0.06 H HETATM 2044 H17 K A 13 72.171 57.159 15.287 1.00 0.06 H HETATM 2045 H15 K A 13 69.160 56.719 14.980 1.00 0.05 H HETATM 2046 H16 K A 13 70.363 56.247 13.732 1.00 0.05 H HETATM 2047 H4 K A 13 69.232 51.788 15.427 1.00 0.06 H HETATM 2048 H3 K A 13 67.606 50.564 13.807 1.00 0.05 H HETATM 2049 H1 K A 13 65.497 50.735 12.322 1.00 0.17 H HETATM 2050 H2 K A 13 64.536 52.235 12.224 1.00 0.17 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 905 906 911 912 913 CONECT 912 905 CONECT 913 905 CONECT 1973 1974 2049 2050 CONECT 1974 1973 1975 1979 CONECT 1975 1974 1976 2048 CONECT 1976 1975 1977 2047 CONECT 1977 1976 1978 1982 CONECT 1978 1977 1979 1981 CONECT 1979 1974 1978 1980 CONECT 1980 1979 CONECT 1981 1978 CONECT 1982 1977 1983 1984 1985 CONECT 1983 1982 CONECT 1984 1982 CONECT 1985 1982 1986 2002 CONECT 1986 1985 1987 2000 2001 CONECT 1987 1986 1988 1992 1999 CONECT 1988 1987 1989 1990 1991 CONECT 1989 1988 CONECT 1990 1988 CONECT 1991 1988 CONECT 1992 1987 1993 1997 1998 CONECT 1993 1992 1994 1995 1996 CONECT 1994 1993 CONECT 1995 1993 CONECT 1996 1993 CONECT 1997 1992 CONECT 1998 1992 CONECT 1999 1987 CONECT 2000 1986 CONECT 2001 1986 CONECT 2002 1985 2003 2045 2046 CONECT 2003 2002 2004 2006 2044 CONECT 2004 2003 2005 CONECT 2005 2004 CONECT 2006 2003 2007 2029 2043 CONECT 2007 2006 2008 2028 CONECT 2008 2007 2009 2010 CONECT 2009 2008 CONECT 2010 2008 2011 CONECT 2011 2010 2012 2018 2027 CONECT 2012 2011 2013 2025 2026 CONECT 2013 2012 2014 CONECT 2014 2013 2015 2018 2024 CONECT 2015 2014 2016 CONECT 2016 2015 2017 2022 2023 CONECT 2017 2016 2018 2020 2021 CONECT 2018 2011 2014 2017 2019 CONECT 2019 2018 CONECT 2020 2017 CONECT 2021 2017 CONECT 2022 2016 CONECT 2023 2016 CONECT 2024 2014 CONECT 2025 2012 CONECT 2026 2012 CONECT 2027 2011 CONECT 2028 2007 CONECT 2029 2006 2030 2041 2042 CONECT 2030 2029 2031 2035 CONECT 2031 2030 2032 2040 CONECT 2032 2031 2033 2039 CONECT 2033 2032 2034 2038 CONECT 2034 2033 2035 2037 CONECT 2035 2030 2034 2036 CONECT 2036 2035 CONECT 2037 2034 CONECT 2038 2033 CONECT 2039 2032 CONECT 2040 2031 CONECT 2041 2029 CONECT 2042 2029 CONECT 2043 2006 CONECT 2044 2003 CONECT 2045 2002 CONECT 2046 2002 CONECT 2047 1976 CONECT 2048 1975 CONECT 2049 1973 CONECT 2050 1973 MASTER 0 0 0 0 0 0 0 0 2048 2 84 16 END
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Structure:
Ligand 2D
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Related entries of code: 6dh7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
1eby
RCSB PDB
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99aa, >1EBY_1|Chains... at 90%
1hxw
RCSB PDB
PDBbind
99aa, >1HXW_1|Chains... at 90%
1izh
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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
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203aa, >4EQJ_1|Chain... *
4ll3
RCSB PDB
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99aa, >4LL3_1|Chains... at 90%
4phv
RCSB PDB
PDBbind
99aa, >4PHV_1|Chains... at 90%
5hvp
RCSB PDB
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99aa, >5HVP_1|Chains... at 90%
5ivs
RCSB PDB
PDBbind
99aa, >5IVS_1|Chains... at 90%
6dgx
RCSB PDB
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99aa, >6DGX_1|Chains... at 91%
6dgy
RCSB PDB
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99aa, >6DGY_1|Chains... at 91%
6dgz
RCSB PDB
PDBbind
99aa, >6DGZ_1|Chains... at 91%
6dh0
RCSB PDB
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99aa, >6DH0_1|Chains... at 90%
6dh1
RCSB PDB
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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%
6dh8
RCSB PDB
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99aa, >6DH8_1|Chains... at 90%
9hvp
RCSB PDB
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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
3o99
RCSB PDB
PDBbind
K13
6dgy
RCSB PDB
PDBbind
K13
6dh1
RCSB PDB
PDBbind
K13
6dh4
RCSB PDB
PDBbind
K13
Entry Information
PDB ID
6dh7
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
HIV-1 Protease I50V Mutant
Ligand Name
K13
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Ki=131.3pM
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
8
H
3
9
N
3
O
7
S
Molecular Weight
561.690
Exact Mass
561.251
No. of atoms
78
No. of bonds
81
Polar Surface Area
148.8
LOGP Value
3.30 (
Computed with XLOGP3
)
4.82 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
Canonical SMILES
CC[C@@H](CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)O)C
InChI String
InChI=1S/C28H39N3O7S/c1-3-19(2)16-31(39(34,35)22-11-9-21(29)10-12-22)17-25(32)24(15-20-7-5-4-6-8-20)30-28(33)38-26-18-37-27-23(26)13-14-36-27/h4-12,19,23-27,32H,3,13-18,29H2,1-2H3,(H,30,33)/t19-,23-,24-,25+,26-,27+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q7ZCR0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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