Browse entries in the PDBbind-CN Database
HEADER 6O48_COMPLEX COMPND 6O48_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 ILE GLU GLU MET SER LEU PRO SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE ILE ILE GLU SEQRES 6 A 99 ILE ALA 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 ALA 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 ILE GLU GLU MET SER LEU PRO SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE ILE ILE GLU SEQRES 6 B 99 ILE ALA 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 ALA THR LEU ASN PHE HET NA A 1 1 HET MOL A 308 130 ATOM 1 N PRO A 1 0.835 40.364 17.969 1.00 37.36 N ATOM 2 CA PRO A 1 -0.083 39.271 18.328 1.00 36.06 C ATOM 3 C PRO A 1 0.466 38.446 19.490 1.00 32.80 C ATOM 4 O PRO A 1 1.651 38.530 19.786 1.00 37.40 O ATOM 5 CB PRO A 1 -0.171 38.416 17.059 1.00 38.28 C ATOM 6 CG PRO A 1 1.003 38.854 16.244 1.00 39.89 C ATOM 7 CD PRO A 1 1.104 40.343 16.511 1.00 39.60 C ATOM 8 HN2 PRO A 1 1.730 40.247 18.486 1.00 0.00 H ATOM 9 HN1 PRO A 1 0.404 41.275 18.227 1.00 0.00 H ATOM 10 N GLN A 2 -0.422 37.681 20.117 1.00 29.85 N ATOM 11 CA GLN A 2 0.019 36.781 21.176 1.00 29.10 C ATOM 12 C GLN A 2 -0.152 35.351 20.688 1.00 28.89 C ATOM 13 O GLN A 2 -1.290 34.958 20.416 1.00 33.06 O ATOM 14 CB GLN A 2 -0.771 36.964 22.469 1.00 31.11 C ATOM 15 CG GLN A 2 -0.564 35.804 23.444 1.00 32.62 C ATOM 16 CD GLN A 2 -1.133 36.158 24.810 1.00 33.64 C ATOM 17 OE1 GLN A 2 -2.210 35.660 25.195 1.00 39.82 O ATOM 18 NE2 GLN A 2 -0.404 37.027 25.504 1.00 34.18 N ATOM 19 HE22 GLN A 2 0.485 37.394 25.107 1.00 0.00 H ATOM 20 HE21 GLN A 2 -0.722 37.340 26.443 1.00 0.00 H ATOM 21 H GLN A 2 -1.427 37.724 19.853 1.00 0.00 H ATOM 22 N ILE A 3 0.930 34.625 20.578 1.00 25.28 N ATOM 23 CA ILE A 3 0.915 33.227 20.140 1.00 25.04 C ATOM 24 C ILE A 3 1.032 32.275 21.323 1.00 23.83 C ATOM 25 O ILE A 3 2.010 32.269 22.071 1.00 23.24 O ATOM 26 CB ILE A 3 2.062 33.007 19.143 1.00 26.79 C ATOM 27 CG1 ILE A 3 2.075 34.067 18.019 1.00 26.87 C ATOM 28 CG2 ILE A 3 2.077 31.603 18.565 1.00 31.41 C ATOM 29 CD1 ILE A 3 3.178 33.750 17.016 1.00 31.83 C ATOM 30 H ILE A 3 1.845 35.061 20.813 1.00 0.00 H ATOM 31 N THR A 4 -0.003 31.456 21.521 1.00 23.35 N ATOM 32 CA THR A 4 0.112 30.439 22.572 1.00 19.43 C ATOM 33 C THR A 4 0.936 29.270 22.046 1.00 18.19 C ATOM 34 O THR A 4 1.293 29.222 20.867 1.00 20.82 O ATOM 35 CB THR A 4 -1.261 29.952 23.058 1.00 21.14 C ATOM 36 OG1 THR A 4 -2.021 29.494 21.923 1.00 27.24 O ATOM 37 CG2 THR A 4 -2.046 31.096 23.683 1.00 24.87 C ATOM 38 HG1 THR A 4 -1.538 28.751 21.482 1.00 0.00 H ATOM 39 H THR A 4 -0.866 31.536 20.947 1.00 0.00 H ATOM 40 N LEU A 5 1.271 28.340 22.910 1.00 17.83 N ATOM 41 CA LEU A 5 2.275 27.322 22.513 1.00 14.33 C ATOM 42 C LEU A 5 1.708 25.923 22.588 1.00 12.97 C ATOM 43 O LEU A 5 2.426 24.929 22.641 1.00 12.33 O ATOM 44 CB LEU A 5 3.531 27.501 23.373 1.00 14.28 C ATOM 45 CG LEU A 5 4.227 28.854 23.158 1.00 14.12 C ATOM 46 CD1 LEU A 5 5.262 29.131 24.231 1.00 17.07 C ATOM 47 CD2 LEU A 5 4.896 28.906 21.779 1.00 14.29 C ATOM 48 H LEU A 5 0.840 28.317 23.856 1.00 0.00 H ATOM 49 N TRP A 6 0.373 25.867 22.559 1.00 13.52 N ATOM 50 CA TRP A 6 -0.289 24.583 22.461 1.00 14.26 C ATOM 51 C TRP A 6 0.119 23.829 21.200 1.00 15.19 C ATOM 52 O TRP A 6 0.191 22.592 21.219 1.00 19.28 O ATOM 53 CB TRP A 6 -1.793 24.817 22.437 1.00 14.86 C ATOM 54 CG TRP A 6 -2.398 25.408 23.658 1.00 17.16 C ATOM 55 CD1 TRP A 6 -3.054 26.614 23.712 1.00 19.07 C ATOM 56 CD2 TRP A 6 -2.433 24.844 24.985 1.00 18.70 C ATOM 57 NE1 TRP A 6 -3.482 26.825 24.995 1.00 20.51 N ATOM 58 CE2 TRP A 6 -3.123 25.770 25.791 1.00 21.18 C ATOM 59 CE3 TRP A 6 -1.958 23.667 25.577 1.00 17.43 C ATOM 60 CZ2 TRP A 6 -3.340 25.540 27.151 1.00 23.58 C ATOM 61 CZ3 TRP A 6 -2.164 23.418 26.927 1.00 19.71 C ATOM 62 CH2 TRP A 6 -2.857 24.365 27.699 1.00 22.82 C ATOM 63 HE1 TRP A 6 -4.004 27.664 25.318 1.00 0.00 H ATOM 64 H TRP A 6 -0.188 26.742 22.607 1.00 0.00 H ATOM 65 N LYS A 7 0.390 24.572 20.130 1.00 16.03 N ATOM 66 CA LYS A 7 0.798 24.021 18.851 1.00 17.85 C ATOM 67 C LYS A 7 2.088 24.677 18.428 1.00 15.45 C ATOM 68 O LYS A 7 2.496 25.679 19.004 1.00 15.04 O ATOM 69 CB LYS A 7 -0.296 24.255 17.792 1.00 22.97 C ATOM 70 CG LYS A 7 -1.700 23.839 18.193 1.00 29.44 C ATOM 71 CD LYS A 7 -2.395 22.889 17.230 1.00 35.20 C ATOM 72 CE LYS A 7 -3.034 21.727 17.977 1.00 40.62 C ATOM 73 NZ LYS A 7 -2.496 20.428 17.475 1.00 49.59 N ATOM 74 HZ1 LYS A 7 -2.706 20.336 16.461 1.00 0.00 H ATOM 75 HZ2 LYS A 7 -1.467 20.401 17.621 1.00 0.00 H ATOM 76 HZ3 LYS A 7 -2.942 19.645 17.995 1.00 0.00 H ATOM 77 H LYS A 7 0.305 25.605 20.215 1.00 0.00 H ATOM 78 N ARG A 8 2.751 24.117 17.425 1.00 15.15 N ATOM 79 CA ARG A 8 3.969 24.767 16.930 1.00 14.38 C ATOM 80 C ARG A 8 3.695 26.193 16.481 1.00 14.34 C ATOM 81 O ARG A 8 2.685 26.323 15.777 1.00 15.91 O ATOM 82 CB ARG A 8 4.541 23.954 15.754 1.00 16.18 C ATOM 83 CG ARG A 8 5.084 22.612 16.191 1.00 18.72 C ATOM 84 CD ARG A 8 5.750 21.814 15.076 1.00 23.90 C ATOM 85 NE ARG A 8 6.158 20.516 15.608 1.00 26.71 N ATOM 86 CZ ARG A 8 6.314 19.426 14.867 1.00 29.09 C ATOM 87 NH1 ARG A 8 6.080 19.537 13.560 1.00 36.35 N ATOM 88 NH2 ARG A 8 6.690 18.252 15.370 1.00 28.81 N ATOM 89 HE ARG A 8 6.337 20.442 16.630 1.00 0.00 H ATOM 90 HH12 ARG A 8 6.189 18.709 12.940 1.00 0.00 H ATOM 91 HH11 ARG A 8 5.788 20.451 13.160 1.00 0.00 H ATOM 92 HH22 ARG A 8 6.797 17.428 14.744 1.00 0.00 H ATOM 93 HH21 ARG A 8 6.876 18.159 16.389 1.00 0.00 H ATOM 94 H ARG A 8 2.413 23.232 16.997 1.00 0.00 H ATOM 95 N PRO A 9 4.544 27.166 16.850 1.00 14.93 N ATOM 96 CA PRO A 9 4.343 28.576 16.448 1.00 14.74 C ATOM 97 C PRO A 9 4.837 28.835 15.026 1.00 15.12 C ATOM 98 O PRO A 9 5.935 29.362 14.811 1.00 15.94 O ATOM 99 CB PRO A 9 5.217 29.384 17.409 1.00 15.06 C ATOM 100 CG PRO A 9 6.297 28.409 17.784 1.00 14.09 C ATOM 101 CD PRO A 9 5.747 27.014 17.709 1.00 14.22 C ATOM 102 N LEU A 10 4.005 28.449 14.079 1.00 16.64 N ATOM 103 CA LEU A 10 4.275 28.558 12.656 1.00 17.05 C ATOM 104 C LEU A 10 3.709 29.836 12.072 1.00 16.82 C ATOM 105 O LEU A 10 2.580 30.199 12.361 1.00 20.10 O ATOM 106 CB LEU A 10 3.664 27.377 11.892 1.00 20.29 C ATOM 107 CG LEU A 10 4.309 25.993 12.170 1.00 22.83 C ATOM 108 CD1 LEU A 10 3.581 24.908 11.382 1.00 27.10 C ATOM 109 CD2 LEU A 10 5.802 25.972 11.875 1.00 24.23 C ATOM 110 H LEU A 10 3.095 28.039 14.370 1.00 0.00 H ATOM 111 N VAL A 11 4.482 30.501 11.226 1.00 16.00 N ATOM 112 CA VAL A 11 3.976 31.716 10.630 1.00 16.80 C ATOM 113 C VAL A 11 4.367 31.744 9.159 1.00 15.41 C ATOM 114 O VAL A 11 5.238 30.946 8.812 1.00 17.34 O ATOM 115 CB VAL A 11 4.589 32.961 11.279 1.00 18.55 C ATOM 116 CG1 VAL A 11 4.140 33.039 12.730 1.00 21.27 C ATOM 117 CG2 VAL A 11 6.101 32.890 11.142 1.00 20.43 C ATOM 118 H VAL A 11 5.435 30.155 10.995 1.00 0.00 H ATOM 119 N THR A 12 3.721 32.643 8.432 1.00 17.19 N ATOM 120 CA THR A 12 4.128 32.839 7.031 1.00 18.19 C ATOM 121 C THR A 12 5.254 33.864 6.932 1.00 16.97 C ATOM 122 O THR A 12 5.216 34.907 7.594 1.00 19.23 O ATOM 123 CB THR A 12 2.920 33.272 6.187 1.00 21.78 C ATOM 124 OG1 THR A 12 1.979 32.182 6.167 1.00 24.64 O ATOM 125 CG2 THR A 12 3.304 33.523 4.741 1.00 24.60 C ATOM 126 HG1 THR A 12 1.190 32.439 5.627 1.00 0.00 H ATOM 127 H THR A 12 2.943 33.198 8.842 1.00 0.00 H ATOM 128 N ILE A 13 6.254 33.559 6.116 1.00 16.73 N ATOM 129 CA ILE A 13 7.339 34.514 5.853 1.00 14.47 C ATOM 130 C ILE A 13 7.426 34.762 4.349 1.00 15.29 C ATOM 131 O ILE A 13 6.911 33.975 3.547 1.00 16.85 O ATOM 132 CB ILE A 13 8.687 34.001 6.357 1.00 16.12 C ATOM 133 CG1 ILE A 13 9.188 32.776 5.605 1.00 17.01 C ATOM 134 CG2 ILE A 13 8.624 33.737 7.873 1.00 16.89 C ATOM 135 CD1 ILE A 13 10.679 32.470 5.860 1.00 18.66 C ATOM 136 H ILE A 13 6.270 32.627 5.654 1.00 0.00 H ATOM 137 N LYS A 14 8.068 35.866 3.993 1.00 16.05 N ATOM 138 CA LYS A 14 8.349 36.173 2.612 1.00 16.06 C ATOM 139 C LYS A 14 9.838 36.481 2.493 1.00 15.83 C ATOM 140 O LYS A 14 10.279 37.365 3.241 1.00 16.19 O ATOM 141 CB LYS A 14 7.512 37.361 2.147 1.00 21.24 C ATOM 142 CG LYS A 14 7.617 37.574 0.639 1.00 26.53 C ATOM 143 CD LYS A 14 6.779 38.782 0.206 1.00 30.13 C ATOM 144 CE LYS A 14 6.867 39.040 -1.280 1.00 34.58 C ATOM 145 NZ LYS A 14 6.255 40.352 -1.683 1.00 43.80 N ATOM 146 HZ1 LYS A 14 5.249 40.360 -1.419 1.00 0.00 H ATOM 147 HZ2 LYS A 14 6.749 41.127 -1.196 1.00 0.00 H ATOM 148 HZ3 LYS A 14 6.345 40.474 -2.712 1.00 0.00 H ATOM 149 H LYS A 14 8.378 36.530 4.731 1.00 0.00 H ATOM 150 N ILE A 15 10.518 35.730 1.649 1.00 15.72 N ATOM 151 CA ILE A 15 11.966 35.766 1.526 1.00 17.02 C ATOM 152 C ILE A 15 12.320 35.458 0.065 1.00 18.08 C ATOM 153 O ILE A 15 11.852 34.442 -0.446 1.00 18.62 O ATOM 154 CB ILE A 15 12.687 34.732 2.388 1.00 18.80 C ATOM 155 CG1 ILE A 15 14.211 34.840 2.239 1.00 20.97 C ATOM 156 CG2 ILE A 15 12.252 33.294 2.086 1.00 20.46 C ATOM 157 CD1 ILE A 15 14.966 34.041 3.281 1.00 23.75 C ATOM 158 H ILE A 15 9.989 35.076 1.038 1.00 0.00 H ATOM 159 N GLY A 16 13.096 36.378 -0.486 1.00 19.55 N ATOM 160 CA GLY A 16 13.550 36.254 -1.868 1.00 22.24 C ATOM 161 C GLY A 16 12.386 36.167 -2.833 1.00 24.40 C ATOM 162 O GLY A 16 12.480 35.492 -3.860 1.00 29.94 O ATOM 163 H GLY A 16 13.387 37.204 0.075 1.00 0.00 H ATOM 164 N GLY A 17 11.277 36.839 -2.529 1.00 24.07 N ATOM 165 CA GLY A 17 10.106 36.821 -3.382 1.00 24.79 C ATOM 166 C GLY A 17 9.220 35.599 -3.217 1.00 25.08 C ATOM 167 O GLY A 17 8.262 35.452 -3.981 1.00 28.68 O ATOM 168 H GLY A 17 11.251 37.395 -1.650 1.00 0.00 H ATOM 169 N GLN A 18 9.486 34.715 -2.263 1.00 24.26 N ATOM 170 CA GLN A 18 8.755 33.479 -2.051 1.00 22.27 C ATOM 171 C GLN A 18 8.058 33.435 -0.700 1.00 21.19 C ATOM 172 O GLN A 18 8.601 33.848 0.319 1.00 21.48 O ATOM 173 CB GLN A 18 9.695 32.258 -2.079 1.00 23.93 C ATOM 174 CG GLN A 18 10.544 32.150 -3.326 1.00 27.47 C ATOM 175 CD GLN A 18 11.457 30.948 -3.421 1.00 28.25 C ATOM 176 OE1 GLN A 18 12.567 31.133 -3.950 1.00 35.22 O ATOM 177 NE2 GLN A 18 11.071 29.754 -2.985 1.00 28.58 N ATOM 178 HE22 GLN A 18 10.135 29.638 -2.548 1.00 0.00 H ATOM 179 HE21 GLN A 18 11.705 28.935 -3.081 1.00 0.00 H ATOM 180 H GLN A 18 10.276 34.923 -1.620 1.00 0.00 H ATOM 181 N LEU A 19 6.851 32.895 -0.666 1.00 20.96 N ATOM 182 CA LEU A 19 6.141 32.698 0.596 1.00 20.55 C ATOM 183 C LEU A 19 6.479 31.310 1.142 1.00 18.90 C ATOM 184 O LEU A 19 6.421 30.336 0.386 1.00 24.50 O ATOM 185 CB LEU A 19 4.632 32.805 0.444 1.00 23.51 C ATOM 186 CG LEU A 19 4.056 34.208 0.223 1.00 27.07 C ATOM 187 CD1 LEU A 19 2.578 34.149 -0.162 1.00 34.81 C ATOM 188 CD2 LEU A 19 4.194 35.090 1.452 1.00 35.39 C ATOM 189 H LEU A 19 6.398 32.605 -1.556 1.00 0.00 H ATOM 190 N LYS A 20 6.820 31.268 2.417 1.00 17.59 N ATOM 191 CA LYS A 20 7.240 30.028 3.042 1.00 16.71 C ATOM 192 C LYS A 20 6.606 29.947 4.417 1.00 16.98 C ATOM 193 O LYS A 20 6.278 30.994 4.978 1.00 18.89 O ATOM 194 CB LYS A 20 8.772 29.984 3.158 1.00 17.42 C ATOM 195 CG LYS A 20 9.466 29.784 1.815 1.00 18.89 C ATOM 196 CD LYS A 20 10.912 29.337 1.972 1.00 19.94 C ATOM 197 CE LYS A 20 11.597 29.016 0.647 1.00 20.62 C ATOM 198 NZ LYS A 20 11.252 27.672 0.110 1.00 21.54 N ATOM 199 HZ1 LYS A 20 11.539 26.943 0.794 1.00 0.00 H ATOM 200 HZ2 LYS A 20 10.226 27.616 -0.048 1.00 0.00 H ATOM 201 HZ3 LYS A 20 11.751 27.521 -0.790 1.00 0.00 H ATOM 202 H LYS A 20 6.787 32.140 2.983 1.00 0.00 H ATOM 203 N GLU A 21 6.436 28.759 4.967 1.00 16.27 N ATOM 204 CA GLU A 21 6.051 28.638 6.376 1.00 15.94 C ATOM 205 C GLU A 21 7.303 28.463 7.231 1.00 14.48 C ATOM 206 O GLU A 21 8.234 27.771 6.802 1.00 15.11 O ATOM 207 CB GLU A 21 5.145 27.442 6.560 1.00 20.51 C ATOM 208 CG GLU A 21 4.823 27.019 7.973 1.00 27.77 C ATOM 209 CD GLU A 21 3.859 25.842 8.051 1.00 32.66 C ATOM 210 OE1 GLU A 21 4.316 24.747 8.485 1.00 45.03 O ATOM 211 OE2 GLU A 21 2.646 25.989 7.717 1.00 42.39 O ATOM 212 H GLU A 21 6.576 27.902 4.396 1.00 0.00 H ATOM 213 N ALA A 22 7.368 29.062 8.412 1.00 12.65 N ATOM 214 CA ALA A 22 8.547 28.941 9.237 1.00 12.11 C ATOM 215 C ALA A 22 8.133 28.903 10.707 1.00 12.47 C ATOM 216 O ALA A 22 7.077 29.433 11.055 1.00 15.87 O ATOM 217 CB ALA A 22 9.537 30.093 9.076 1.00 12.39 C ATOM 218 H ALA A 22 6.561 29.625 8.748 1.00 0.00 H ATOM 219 N LEU A 23 8.995 28.301 11.508 1.00 11.30 N ATOM 220 CA LEU A 23 8.795 28.099 12.933 1.00 11.90 C ATOM 221 C LEU A 23 9.534 29.160 13.734 1.00 12.27 C ATOM 222 O LEU A 23 10.743 29.336 13.502 1.00 13.00 O ATOM 223 CB LEU A 23 9.329 26.692 13.223 1.00 13.96 C ATOM 224 CG LEU A 23 9.279 26.224 14.662 1.00 14.95 C ATOM 225 CD1 LEU A 23 7.853 25.922 15.052 1.00 19.11 C ATOM 226 CD2 LEU A 23 10.134 24.972 14.829 1.00 17.22 C ATOM 227 H LEU A 23 9.879 27.947 11.089 1.00 0.00 H ATOM 228 N LEU A 24 8.839 29.822 14.649 1.00 11.48 N ATOM 229 CA LEU A 24 9.523 30.822 15.495 1.00 12.02 C ATOM 230 C LEU A 24 10.263 30.103 16.604 1.00 12.41 C ATOM 231 O LEU A 24 9.610 29.472 17.446 1.00 15.50 O ATOM 232 CB LEU A 24 8.508 31.790 16.069 1.00 14.36 C ATOM 233 CG LEU A 24 7.626 32.495 15.032 1.00 15.60 C ATOM 234 CD1 LEU A 24 6.606 33.327 15.767 1.00 21.75 C ATOM 235 CD2 LEU A 24 8.483 33.359 14.100 1.00 20.28 C ATOM 236 H LEU A 24 7.822 29.639 14.770 1.00 0.00 H ATOM 237 N ASP A 25 11.588 30.162 16.635 1.00 11.85 N ATOM 238 CA ASP A 25 12.373 29.281 17.520 1.00 12.26 C ATOM 239 C ASP A 25 13.249 30.095 18.460 1.00 9.89 C ATOM 240 O ASP A 25 14.313 30.513 18.055 1.00 10.77 O ATOM 241 CB ASP A 25 13.213 28.304 16.678 1.00 13.58 C ATOM 242 CG ASP A 25 13.895 27.247 17.518 1.00 16.51 C ATOM 243 OD1 ASP A 25 13.747 27.244 18.757 1.00 17.28 O ATOM 244 OD2 ASP A 25 14.601 26.358 17.002 1.00 20.76 O ATOM 245 H ASP A 25 12.083 30.842 16.024 1.00 0.00 H ATOM 246 N THR A 26 12.784 30.309 19.706 1.00 11.24 N ATOM 247 CA THR A 26 13.601 31.057 20.663 1.00 9.13 C ATOM 248 C THR A 26 14.860 30.263 21.038 1.00 9.41 C ATOM 249 O THR A 26 15.821 30.868 21.583 1.00 11.87 O ATOM 250 CB THR A 26 12.827 31.417 21.935 1.00 9.74 C ATOM 251 OG1 THR A 26 12.369 30.147 22.507 1.00 9.89 O ATOM 252 CG2 THR A 26 11.594 32.259 21.666 1.00 9.95 C ATOM 253 HG1 THR A 26 13.152 29.578 22.715 1.00 0.00 H ATOM 254 H THR A 26 11.851 29.945 19.986 1.00 0.00 H ATOM 255 N GLY A 27 14.910 28.960 20.760 1.00 9.67 N ATOM 256 CA GLY A 27 16.117 28.190 21.034 1.00 10.25 C ATOM 257 C GLY A 27 17.084 28.205 19.861 1.00 11.01 C ATOM 258 O GLY A 27 18.090 27.474 19.904 1.00 12.11 O ATOM 259 H GLY A 27 14.081 28.489 20.344 1.00 0.00 H ATOM 260 N ALA A 28 16.837 29.035 18.848 1.00 9.72 N ATOM 261 CA ALA A 28 17.722 29.149 17.690 1.00 8.79 C ATOM 262 C ALA A 28 18.460 30.482 17.702 1.00 8.39 C ATOM 263 O ALA A 28 17.801 31.536 17.725 1.00 12.36 O ATOM 264 CB ALA A 28 16.936 29.034 16.381 1.00 10.24 C ATOM 265 H ALA A 28 15.981 29.625 18.883 1.00 0.00 H ATOM 266 N ASP A 29 19.798 30.463 17.695 1.00 8.81 N ATOM 267 CA ASP A 29 20.499 31.747 17.618 1.00 9.63 C ATOM 268 C ASP A 29 20.312 32.426 16.271 1.00 10.26 C ATOM 269 O ASP A 29 20.300 33.666 16.193 1.00 14.27 O ATOM 270 CB ASP A 29 22.014 31.519 17.831 1.00 12.40 C ATOM 271 CG ASP A 29 22.410 30.891 19.143 1.00 14.11 C ATOM 272 OD1 ASP A 29 21.726 31.014 20.175 1.00 14.44 O ATOM 273 OD2 ASP A 29 23.511 30.256 19.150 1.00 23.36 O ATOM 274 H ASP A 29 20.323 29.566 17.743 1.00 0.00 H ATOM 275 N ASP A 30 20.227 31.615 15.231 1.00 11.48 N ATOM 276 CA ASP A 30 20.267 31.933 13.822 1.00 12.51 C ATOM 277 C ASP A 30 18.999 31.479 13.103 1.00 11.42 C ATOM 278 O ASP A 30 18.286 30.620 13.592 1.00 13.00 O ATOM 279 CB ASP A 30 21.435 31.213 13.117 1.00 15.01 C ATOM 280 CG ASP A 30 22.730 31.478 13.850 1.00 18.71 C ATOM 281 OD1 ASP A 30 23.045 32.684 14.068 1.00 29.16 O ATOM 282 OD2 ASP A 30 23.406 30.500 14.211 1.00 29.66 O ATOM 283 H ASP A 30 20.116 30.606 15.459 1.00 0.00 H ATOM 284 N THR A 31 18.768 32.059 11.944 1.00 10.52 N ATOM 285 CA THR A 31 17.651 31.799 11.045 1.00 10.39 C ATOM 286 C THR A 31 18.135 30.891 9.927 1.00 9.99 C ATOM 287 O THR A 31 19.158 31.210 9.299 1.00 11.48 O ATOM 288 CB THR A 31 17.107 33.137 10.501 1.00 11.94 C ATOM 289 OG1 THR A 31 16.486 33.839 11.602 1.00 11.19 O ATOM 290 CG2 THR A 31 16.060 32.957 9.426 1.00 12.69 C ATOM 291 HG1 THR A 31 17.159 34.002 12.309 1.00 0.00 H ATOM 292 H THR A 31 19.454 32.778 11.638 1.00 0.00 H ATOM 293 N VAL A 32 17.437 29.759 9.729 1.00 9.94 N ATOM 294 CA VAL A 32 17.871 28.797 8.721 1.00 10.22 C ATOM 295 C VAL A 32 16.673 28.367 7.881 1.00 10.02 C ATOM 296 O VAL A 32 15.595 27.971 8.352 1.00 10.91 O ATOM 297 CB VAL A 32 18.474 27.532 9.375 1.00 12.48 C ATOM 298 CG1 VAL A 32 19.215 26.712 8.324 1.00 12.83 C ATOM 299 CG2 VAL A 32 19.376 27.902 10.537 1.00 14.40 C ATOM 300 H VAL A 32 16.586 29.569 10.295 1.00 0.00 H ATOM 301 N ILE A 33 16.899 28.474 6.571 1.00 10.24 N ATOM 302 CA ILE A 33 15.830 28.173 5.608 1.00 11.41 C ATOM 303 C ILE A 33 16.266 27.037 4.707 1.00 10.99 C ATOM 304 O ILE A 33 17.483 26.902 4.448 1.00 12.16 O ATOM 305 CB ILE A 33 15.537 29.434 4.781 1.00 12.57 C ATOM 306 CG1 ILE A 33 15.178 30.639 5.681 1.00 15.00 C ATOM 307 CG2 ILE A 33 14.461 29.233 3.730 1.00 16.35 C ATOM 308 CD1 ILE A 33 13.956 30.354 6.536 1.00 18.27 C ATOM 309 H ILE A 33 17.835 28.772 6.229 1.00 0.00 H ATOM 310 N GLU A 34 15.326 26.214 4.250 1.00 11.81 N ATOM 311 CA GLU A 34 15.600 25.166 3.280 1.00 13.74 C ATOM 312 C GLU A 34 16.192 25.698 1.992 1.00 14.11 C ATOM 313 O GLU A 34 16.086 26.917 1.715 1.00 14.26 O ATOM 314 CB GLU A 34 14.246 24.489 2.952 1.00 17.57 C ATOM 315 CG GLU A 34 13.303 25.422 2.190 1.00 23.80 C ATOM 316 CD GLU A 34 11.853 24.973 2.297 1.00 28.62 C ATOM 317 OE1 GLU A 34 11.583 23.755 2.505 1.00 36.57 O ATOM 318 OE2 GLU A 34 10.956 25.845 2.150 1.00 28.76 O ATOM 319 H GLU A 34 14.354 26.325 4.602 1.00 0.00 H ATOM 320 N GLU A 35 16.779 24.854 1.161 1.00 13.99 N ATOM 321 CA GLU A 35 17.467 25.259 -0.047 1.00 15.43 C ATOM 322 C GLU A 35 16.625 26.177 -0.926 1.00 14.52 C ATOM 323 O GLU A 35 15.475 25.889 -1.265 1.00 17.32 O ATOM 324 CB GLU A 35 17.909 24.025 -0.849 1.00 17.70 C ATOM 325 CG GLU A 35 19.047 23.286 -0.145 1.00 21.03 C ATOM 326 CD GLU A 35 20.367 24.043 -0.184 1.00 26.98 C ATOM 327 OE1 GLU A 35 20.425 25.171 -0.744 1.00 32.07 O ATOM 328 OE2 GLU A 35 21.375 23.509 0.348 1.00 28.38 O ATOM 329 H GLU A 35 16.745 23.840 1.388 1.00 0.00 H ATOM 330 N MET A 36 17.285 27.292 -1.262 1.00 15.07 N ATOM 331 CA MET A 36 16.727 28.286 -2.165 1.00 16.16 C ATOM 332 C MET A 36 17.882 29.161 -2.640 1.00 17.01 C ATOM 333 O MET A 36 18.951 29.135 -2.029 1.00 18.06 O ATOM 334 CB MET A 36 15.671 29.192 -1.513 1.00 17.08 C ATOM 335 CG MET A 36 16.232 30.082 -0.433 1.00 18.04 C ATOM 336 SD MET A 36 14.960 31.120 0.321 1.00 22.96 S ATOM 337 CE MET A 36 14.425 32.143 -1.042 1.00 19.03 C ATOM 338 H MET A 36 18.232 27.453 -0.863 1.00 0.00 H ATOM 339 N SER A 37 17.648 29.944 -3.692 1.00 19.32 N ATOM 340 CA SER A 37 18.701 30.896 -4.026 1.00 18.69 C ATOM 341 C SER A 37 18.397 32.259 -3.413 1.00 18.23 C ATOM 342 O SER A 37 17.243 32.688 -3.369 1.00 21.19 O ATOM 343 CB SER A 37 18.841 31.029 -5.544 1.00 21.88 C ATOM 344 OG SER A 37 17.548 30.961 -6.122 1.00 25.36 O ATOM 345 HG SER A 37 17.623 31.046 -7.106 1.00 0.00 H ATOM 346 H SER A 37 16.768 29.880 -4.242 1.00 0.00 H ATOM 347 N LEU A 38 19.448 32.910 -2.948 1.00 16.37 N ATOM 348 CA LEU A 38 19.364 34.283 -2.446 1.00 15.26 C ATOM 349 C LEU A 38 20.403 35.112 -3.182 1.00 16.66 C ATOM 350 O LEU A 38 21.384 34.542 -3.640 1.00 17.20 O ATOM 351 CB LEU A 38 19.597 34.329 -0.950 1.00 14.23 C ATOM 352 CG LEU A 38 18.467 33.725 -0.099 1.00 14.51 C ATOM 353 CD1 LEU A 38 18.854 33.700 1.373 1.00 14.70 C ATOM 354 CD2 LEU A 38 17.158 34.489 -0.308 1.00 19.01 C ATOM 355 H LEU A 38 20.370 32.429 -2.938 1.00 0.00 H ATOM 356 N PRO A 39 20.230 36.424 -3.314 1.00 19.28 N ATOM 357 CA PRO A 39 21.210 37.252 -3.996 1.00 20.71 C ATOM 358 C PRO A 39 22.423 37.552 -3.112 1.00 21.12 C ATOM 359 O PRO A 39 22.391 37.489 -1.886 1.00 21.31 O ATOM 360 CB PRO A 39 20.437 38.550 -4.284 1.00 23.10 C ATOM 361 CG PRO A 39 19.383 38.624 -3.227 1.00 22.61 C ATOM 362 CD PRO A 39 19.073 37.199 -2.840 1.00 21.15 C ATOM 363 N GLY A 40 23.513 37.884 -3.781 1.00 22.65 N ATOM 364 CA GLY A 40 24.701 38.387 -3.125 1.00 22.02 C ATOM 365 C GLY A 40 25.649 37.247 -2.784 1.00 20.57 C ATOM 366 O GLY A 40 25.453 36.112 -3.203 1.00 21.56 O ATOM 367 H GLY A 40 23.517 37.780 -4.816 1.00 0.00 H ATOM 368 N ARG A 41 26.661 37.621 -2.011 1.00 21.00 N ATOM 369 CA ARG A 41 27.742 36.722 -1.671 1.00 21.60 C ATOM 370 C ARG A 41 27.357 35.883 -0.474 1.00 19.33 C ATOM 371 O ARG A 41 26.458 36.266 0.272 1.00 18.54 O ATOM 372 CB ARG A 41 28.981 37.532 -1.278 1.00 28.18 C ATOM 373 CG ARG A 41 29.452 38.491 -2.365 1.00 35.33 C ATOM 374 CD ARG A 41 30.813 39.068 -1.939 1.00 39.83 C ATOM 375 NE ARG A 41 31.739 37.953 -1.753 1.00 46.07 N ATOM 376 CZ ARG A 41 32.573 37.530 -2.711 1.00 49.72 C ATOM 377 NH1 ARG A 41 32.553 38.166 -3.885 1.00 57.41 N ATOM 378 NH2 ARG A 41 33.387 36.511 -2.479 1.00 53.60 N ATOM 379 HE ARG A 41 31.751 37.466 -0.834 1.00 0.00 H ATOM 380 HH12 ARG A 41 33.188 37.863 -4.651 1.00 0.00 H ATOM 381 HH11 ARG A 41 31.903 38.964 -4.033 1.00 0.00 H ATOM 382 HH22 ARG A 41 34.035 36.183 -3.224 1.00 0.00 H ATOM 383 HH21 ARG A 41 33.378 36.039 -1.552 1.00 0.00 H ATOM 384 H ARG A 41 26.677 38.592 -1.638 1.00 0.00 H ATOM 385 N TRP A 42 28.048 34.766 -0.294 1.00 17.80 N ATOM 386 CA TRP A 42 27.751 33.904 0.859 1.00 15.91 C ATOM 387 C TRP A 42 29.060 33.261 1.295 1.00 16.11 C ATOM 388 O TRP A 42 30.022 33.249 0.519 1.00 19.16 O ATOM 389 CB TRP A 42 26.713 32.843 0.541 1.00 15.99 C ATOM 390 CG TRP A 42 27.074 31.968 -0.625 1.00 18.51 C ATOM 391 CD1 TRP A 42 26.750 32.184 -1.945 1.00 20.37 C ATOM 392 CD2 TRP A 42 27.819 30.736 -0.598 1.00 19.28 C ATOM 393 NE1 TRP A 42 27.242 31.172 -2.732 1.00 20.98 N ATOM 394 CE2 TRP A 42 27.904 30.275 -1.921 1.00 21.10 C ATOM 395 CE3 TRP A 42 28.400 30.024 0.453 1.00 19.18 C ATOM 396 CZ2 TRP A 42 28.567 29.101 -2.240 1.00 22.99 C ATOM 397 CZ3 TRP A 42 29.063 28.852 0.134 1.00 21.74 C ATOM 398 CH2 TRP A 42 29.137 28.412 -1.197 1.00 24.02 C ATOM 399 HE1 TRP A 42 27.134 31.095 -3.764 1.00 0.00 H ATOM 400 H TRP A 42 28.797 34.501 -0.965 1.00 0.00 H ATOM 401 N LYS A 43 29.047 32.736 2.513 1.00 15.98 N ATOM 402 CA LYS A 43 30.205 31.970 2.968 1.00 16.90 C ATOM 403 C LYS A 43 29.727 30.715 3.687 1.00 14.17 C ATOM 404 O LYS A 43 28.636 30.706 4.247 1.00 11.81 O ATOM 405 CB LYS A 43 31.104 32.800 3.870 1.00 20.27 C ATOM 406 CG LYS A 43 30.542 33.293 5.179 1.00 23.67 C ATOM 407 CD LYS A 43 31.469 34.365 5.784 1.00 27.40 C ATOM 408 CE LYS A 43 30.611 35.462 6.389 1.00 28.82 C ATOM 409 NZ LYS A 43 31.337 36.290 7.382 1.00 34.96 N ATOM 410 HZ1 LYS A 43 31.669 35.685 8.160 1.00 0.00 H ATOM 411 HZ2 LYS A 43 32.152 36.745 6.923 1.00 0.00 H ATOM 412 HZ3 LYS A 43 30.698 37.019 7.757 1.00 0.00 H ATOM 413 H LYS A 43 28.224 32.868 3.135 1.00 0.00 H ATOM 414 N PRO A 44 30.524 29.666 3.672 1.00 13.02 N ATOM 415 CA PRO A 44 30.099 28.434 4.357 1.00 13.37 C ATOM 416 C PRO A 44 30.167 28.527 5.879 1.00 12.42 C ATOM 417 O PRO A 44 30.999 29.197 6.479 1.00 15.94 O ATOM 418 CB PRO A 44 31.063 27.384 3.829 1.00 15.09 C ATOM 419 CG PRO A 44 32.253 28.114 3.329 1.00 15.41 C ATOM 420 CD PRO A 44 31.824 29.522 2.974 1.00 14.66 C ATOM 421 N LYS A 45 29.224 27.795 6.499 1.00 12.27 N ATOM 422 CA LYS A 45 29.112 27.775 7.951 1.00 13.08 C ATOM 423 C LYS A 45 28.686 26.385 8.408 1.00 13.11 C ATOM 424 O LYS A 45 28.016 25.690 7.635 1.00 13.38 O ATOM 425 CB LYS A 45 28.077 28.823 8.406 1.00 15.15 C ATOM 426 CG LYS A 45 27.999 29.064 9.909 1.00 16.38 C ATOM 427 CD LYS A 45 27.082 30.229 10.215 1.00 18.72 C ATOM 428 CE LYS A 45 26.806 30.418 11.693 1.00 19.41 C ATOM 429 NZ LYS A 45 27.977 31.007 12.386 1.00 26.94 N ATOM 430 HZ1 LYS A 45 28.796 30.375 12.279 1.00 0.00 H ATOM 431 HZ2 LYS A 45 28.196 31.934 11.968 1.00 0.00 H ATOM 432 HZ3 LYS A 45 27.758 31.124 13.396 1.00 0.00 H ATOM 433 H LYS A 45 28.561 27.231 5.930 1.00 0.00 H ATOM 434 N MET A 46 29.023 25.982 9.627 1.00 12.15 N ATOM 435 CA MET A 46 28.436 24.759 10.188 1.00 10.65 C ATOM 436 C MET A 46 27.577 25.165 11.373 1.00 10.43 C ATOM 437 O MET A 46 28.033 25.993 12.170 1.00 13.88 O ATOM 438 CB MET A 46 29.486 23.797 10.728 1.00 13.71 C ATOM 439 CG MET A 46 30.318 23.062 9.715 1.00 16.51 C ATOM 440 SD MET A 46 29.392 21.748 8.893 1.00 21.80 S ATOM 441 CE MET A 46 30.627 21.285 7.664 1.00 26.67 C ATOM 442 H MET A 46 29.705 26.534 10.186 1.00 0.00 H ATOM 443 N ILE A 47 26.375 24.633 11.465 1.00 10.50 N ATOM 444 CA ILE A 47 25.547 24.942 12.633 1.00 10.98 C ATOM 445 C ILE A 47 25.116 23.627 13.262 1.00 11.51 C ATOM 446 O ILE A 47 24.943 22.612 12.574 1.00 11.56 O ATOM 447 CB ILE A 47 24.338 25.816 12.288 1.00 13.54 C ATOM 448 CG1 ILE A 47 23.387 25.127 11.318 1.00 14.97 C ATOM 449 CG2 ILE A 47 24.800 27.189 11.799 1.00 16.56 C ATOM 450 CD1 ILE A 47 22.104 25.825 10.972 1.00 16.04 C ATOM 451 H ILE A 47 26.019 24.002 10.719 1.00 0.00 H ATOM 452 N GLY A 48 24.980 23.648 14.585 1.00 11.87 N ATOM 453 CA GLY A 48 24.682 22.401 15.283 1.00 12.39 C ATOM 454 C GLY A 48 23.470 22.551 16.165 1.00 12.97 C ATOM 455 O GLY A 48 22.950 23.621 16.497 1.00 15.36 O ATOM 456 H GLY A 48 25.084 24.538 15.113 1.00 0.00 H ATOM 457 N GLY A 49 22.979 21.392 16.562 1.00 14.95 N ATOM 458 CA GLY A 49 21.828 21.315 17.432 1.00 16.32 C ATOM 459 C GLY A 49 21.573 19.861 17.754 1.00 14.46 C ATOM 460 O GLY A 49 22.505 19.056 17.797 1.00 15.27 O ATOM 461 H GLY A 49 23.432 20.513 16.241 1.00 0.00 H ATOM 462 N ILE A 50 20.319 19.479 17.996 1.00 15.71 N ATOM 463 CA ILE A 50 20.178 18.077 18.370 1.00 16.67 C ATOM 464 C ILE A 50 20.486 17.224 17.168 1.00 18.06 C ATOM 465 O ILE A 50 20.104 17.481 16.020 1.00 20.67 O ATOM 466 CB ILE A 50 18.768 17.868 18.927 1.00 19.74 C ATOM 467 CG1 ILE A 50 18.781 18.281 20.411 1.00 22.93 C ATOM 468 CG2 ILE A 50 18.231 16.462 18.740 1.00 20.63 C ATOM 469 CD1 ILE A 50 17.448 18.225 21.095 1.00 32.53 C ATOM 470 H ILE A 50 19.509 20.127 17.924 1.00 0.00 H ATOM 471 N GLY A 51 21.237 16.163 17.385 1.00 19.79 N ATOM 472 CA GLY A 51 21.524 15.306 16.231 1.00 18.48 C ATOM 473 C GLY A 51 22.854 15.657 15.592 1.00 16.78 C ATOM 474 O GLY A 51 23.275 14.847 14.759 1.00 24.74 O ATOM 475 H GLY A 51 21.609 15.944 18.331 1.00 0.00 H ATOM 476 N GLY A 52 23.468 16.781 15.940 1.00 15.87 N ATOM 477 CA GLY A 52 24.788 17.155 15.382 1.00 13.73 C ATOM 478 C GLY A 52 24.713 18.370 14.474 1.00 13.81 C ATOM 479 O GLY A 52 23.896 19.270 14.735 1.00 15.56 O ATOM 480 H GLY A 52 23.010 17.417 16.623 1.00 0.00 H ATOM 481 N PHE A 53 25.562 18.441 13.438 1.00 13.83 N ATOM 482 CA PHE A 53 25.750 19.647 12.638 1.00 12.34 C ATOM 483 C PHE A 53 25.396 19.457 11.175 1.00 12.27 C ATOM 484 O PHE A 53 25.451 18.320 10.667 1.00 16.25 O ATOM 485 CB PHE A 53 27.233 20.034 12.675 1.00 13.54 C ATOM 486 CG PHE A 53 27.744 20.567 14.006 1.00 15.16 C ATOM 487 CD1 PHE A 53 28.011 19.719 15.074 1.00 15.85 C ATOM 488 CD2 PHE A 53 27.949 21.925 14.136 1.00 15.77 C ATOM 489 CE1 PHE A 53 28.483 20.266 16.255 1.00 17.06 C ATOM 490 CE2 PHE A 53 28.413 22.457 15.324 1.00 16.05 C ATOM 491 CZ PHE A 53 28.676 21.633 16.389 1.00 16.27 C ATOM 492 H PHE A 53 26.114 17.594 13.193 1.00 0.00 H ATOM 493 N ILE A 54 25.064 20.556 10.536 1.00 11.53 N ATOM 494 CA ILE A 54 24.832 20.590 9.097 1.00 10.98 C ATOM 495 C ILE A 54 25.619 21.744 8.495 1.00 11.47 C ATOM 496 O ILE A 54 25.898 22.730 9.203 1.00 11.73 O ATOM 497 CB ILE A 54 23.343 20.781 8.737 1.00 12.93 C ATOM 498 CG1 ILE A 54 22.712 22.061 9.304 1.00 13.92 C ATOM 499 CG2 ILE A 54 22.529 19.552 9.154 1.00 14.16 C ATOM 500 CD1 ILE A 54 21.346 22.395 8.693 1.00 17.31 C ATOM 501 H ILE A 54 24.963 21.437 11.079 1.00 0.00 H ATOM 502 N LYS A 55 25.958 21.605 7.209 1.00 12.20 N ATOM 503 CA LYS A 55 26.656 22.700 6.519 1.00 11.37 C ATOM 504 C LYS A 55 25.633 23.607 5.847 1.00 10.68 C ATOM 505 O LYS A 55 24.681 23.070 5.234 1.00 12.72 O ATOM 506 CB LYS A 55 27.656 22.158 5.493 1.00 14.90 C ATOM 507 CG LYS A 55 28.565 23.256 4.896 1.00 18.12 C ATOM 508 CD LYS A 55 29.513 22.578 3.902 1.00 23.53 C ATOM 509 CE LYS A 55 29.997 23.589 2.864 1.00 28.47 C ATOM 510 NZ LYS A 55 31.100 22.975 2.064 1.00 38.20 N ATOM 511 HZ1 LYS A 55 31.884 22.719 2.697 1.00 0.00 H ATOM 512 HZ2 LYS A 55 30.746 22.122 1.585 1.00 0.00 H ATOM 513 HZ3 LYS A 55 31.434 23.658 1.355 1.00 0.00 H ATOM 514 H LYS A 55 25.729 20.728 6.700 1.00 0.00 H ATOM 515 N VAL A 56 25.790 24.910 5.946 1.00 9.56 N ATOM 516 CA VAL A 56 24.872 25.893 5.374 1.00 10.42 C ATOM 517 C VAL A 56 25.638 26.970 4.637 1.00 11.08 C ATOM 518 O VAL A 56 26.839 27.111 4.813 1.00 12.61 O ATOM 519 CB VAL A 56 23.995 26.539 6.489 1.00 11.22 C ATOM 520 CG1 VAL A 56 23.114 25.450 7.113 1.00 11.35 C ATOM 521 CG2 VAL A 56 24.818 27.231 7.548 1.00 12.27 C ATOM 522 H VAL A 56 26.620 25.263 6.464 1.00 0.00 H ATOM 523 N ARG A 57 24.897 27.724 3.841 1.00 9.99 N ATOM 524 CA ARG A 57 25.452 28.930 3.231 1.00 9.62 C ATOM 525 C ARG A 57 24.974 30.157 3.996 1.00 9.29 C ATOM 526 O ARG A 57 23.765 30.265 4.225 1.00 10.80 O ATOM 527 CB ARG A 57 24.998 29.012 1.773 1.00 10.81 C ATOM 528 CG ARG A 57 25.536 27.855 0.940 1.00 14.00 C ATOM 529 CD ARG A 57 25.209 27.964 -0.528 1.00 14.64 C ATOM 530 NE ARG A 57 23.940 28.530 -0.912 1.00 15.69 N ATOM 531 CZ ARG A 57 22.768 27.943 -1.144 1.00 16.53 C ATOM 532 NH1 ARG A 57 22.639 26.624 -1.027 1.00 18.44 N ATOM 533 NH2 ARG A 57 21.720 28.687 -1.497 1.00 17.64 N ATOM 534 HE ARG A 57 23.940 29.564 -1.026 1.00 0.00 H ATOM 535 HH12 ARG A 57 21.720 26.173 -1.210 1.00 0.00 H ATOM 536 HH11 ARG A 57 23.457 26.044 -0.753 1.00 0.00 H ATOM 537 HH22 ARG A 57 20.801 28.237 -1.680 1.00 0.00 H ATOM 538 HH21 ARG A 57 21.822 29.718 -1.589 1.00 0.00 H ATOM 539 H ARG A 57 23.911 27.456 3.648 1.00 0.00 H ATOM 540 N GLN A 58 25.868 31.059 4.350 1.00 9.35 N ATOM 541 CA GLN A 58 25.529 32.256 5.117 1.00 9.81 C ATOM 542 C GLN A 58 25.413 33.475 4.206 1.00 9.63 C ATOM 543 O GLN A 58 26.417 33.867 3.639 1.00 12.02 O ATOM 544 CB GLN A 58 26.601 32.510 6.201 1.00 10.81 C ATOM 545 CG GLN A 58 26.245 33.782 6.963 1.00 12.60 C ATOM 546 CD GLN A 58 27.290 34.133 7.993 1.00 15.72 C ATOM 547 OE1 GLN A 58 27.917 33.224 8.547 1.00 20.23 O ATOM 548 NE2 GLN A 58 27.500 35.421 8.230 1.00 19.75 N ATOM 549 HE22 GLN A 58 26.938 36.140 7.731 1.00 0.00 H ATOM 550 HE21 GLN A 58 28.226 35.712 8.915 1.00 0.00 H ATOM 551 H GLN A 58 26.859 30.912 4.071 1.00 0.00 H ATOM 552 N TYR A 59 24.228 34.061 4.139 1.00 10.33 N ATOM 553 CA TYR A 59 23.946 35.281 3.388 1.00 11.23 C ATOM 554 C TYR A 59 23.682 36.426 4.342 1.00 12.05 C ATOM 555 O TYR A 59 22.850 36.278 5.247 1.00 12.01 O ATOM 556 CB TYR A 59 22.717 35.136 2.481 1.00 12.13 C ATOM 557 CG TYR A 59 22.866 34.094 1.389 1.00 12.56 C ATOM 558 CD1 TYR A 59 22.630 32.743 1.650 1.00 12.71 C ATOM 559 CD2 TYR A 59 23.232 34.471 0.103 1.00 12.75 C ATOM 560 CE1 TYR A 59 22.766 31.790 0.651 1.00 13.77 C ATOM 561 CE2 TYR A 59 23.367 33.540 -0.905 1.00 14.40 C ATOM 562 CZ TYR A 59 23.134 32.203 -0.615 1.00 14.91 C ATOM 563 OH TYR A 59 23.258 31.276 -1.619 1.00 18.72 O ATOM 564 HH TYR A 59 22.619 31.490 -2.345 1.00 0.00 H ATOM 565 H TYR A 59 23.442 33.621 4.658 1.00 0.00 H ATOM 566 N ASP A 60 24.367 37.553 4.146 1.00 14.14 N ATOM 567 CA ASP A 60 24.092 38.630 5.086 1.00 15.73 C ATOM 568 C ASP A 60 23.200 39.700 4.480 1.00 15.39 C ATOM 569 O ASP A 60 23.040 39.753 3.260 1.00 15.86 O ATOM 570 CB ASP A 60 25.432 39.242 5.529 1.00 18.51 C ATOM 571 CG ASP A 60 26.317 38.222 6.230 1.00 19.82 C ATOM 572 OD1 ASP A 60 25.817 37.464 7.101 1.00 19.26 O ATOM 573 OD2 ASP A 60 27.537 38.190 5.925 1.00 30.40 O ATOM 574 H ASP A 60 25.053 37.656 3.372 1.00 0.00 H ATOM 575 N GLN A 61 22.639 40.530 5.362 1.00 16.02 N ATOM 576 CA GLN A 61 21.798 41.668 4.959 1.00 15.98 C ATOM 577 C GLN A 61 20.697 41.230 4.003 1.00 15.98 C ATOM 578 O GLN A 61 20.512 41.803 2.931 1.00 19.30 O ATOM 579 CB GLN A 61 22.638 42.788 4.334 1.00 19.95 C ATOM 580 CG GLN A 61 23.567 43.421 5.371 1.00 24.48 C ATOM 581 CD GLN A 61 24.432 44.532 4.850 1.00 29.75 C ATOM 582 OE1 GLN A 61 24.648 45.576 5.501 1.00 41.44 O ATOM 583 NE2 GLN A 61 24.977 44.357 3.647 1.00 37.48 N ATOM 584 HE22 GLN A 61 24.790 43.484 3.114 1.00 0.00 H ATOM 585 HE21 GLN A 61 25.589 45.093 3.241 1.00 0.00 H ATOM 586 H GLN A 61 22.803 40.366 6.376 1.00 0.00 H ATOM 587 N ILE A 62 19.956 40.209 4.384 1.00 14.63 N ATOM 588 CA ILE A 62 18.818 39.743 3.603 1.00 14.60 C ATOM 589 C ILE A 62 17.548 40.287 4.220 1.00 15.34 C ATOM 590 O ILE A 62 17.347 40.220 5.439 1.00 15.34 O ATOM 591 CB ILE A 62 18.781 38.206 3.599 1.00 12.71 C ATOM 592 CG1 ILE A 62 20.026 37.577 2.979 1.00 14.95 C ATOM 593 CG2 ILE A 62 17.483 37.745 2.931 1.00 13.59 C ATOM 594 CD1 ILE A 62 20.248 37.972 1.531 1.00 16.90 C ATOM 595 H ILE A 62 20.191 39.720 5.271 1.00 0.00 H ATOM 596 N ILE A 63 16.676 40.837 3.395 1.00 17.14 N ATOM 597 CA ILE A 63 15.427 41.339 3.955 1.00 18.53 C ATOM 598 C ILE A 63 14.388 40.221 3.929 1.00 18.29 C ATOM 599 O ILE A 63 14.318 39.402 3.009 1.00 20.53 O ATOM 600 CB ILE A 63 14.976 42.568 3.159 1.00 23.25 C ATOM 601 CG1 ILE A 63 15.969 43.740 3.280 1.00 25.17 C ATOM 602 CG2 ILE A 63 13.580 42.938 3.576 1.00 25.75 C ATOM 603 CD1 ILE A 63 15.765 44.840 2.249 1.00 30.62 C ATOM 604 H ILE A 63 16.874 40.910 2.377 1.00 0.00 H ATOM 605 N ILE A 64 13.591 40.193 4.976 1.00 18.77 N ATOM 606 CA ILE A 64 12.583 39.179 5.192 1.00 19.13 C ATOM 607 C ILE A 64 11.349 39.831 5.808 1.00 19.11 C ATOM 608 O ILE A 64 11.449 40.789 6.571 1.00 23.54 O ATOM 609 CB ILE A 64 13.026 38.043 6.124 1.00 21.21 C ATOM 610 CG1 ILE A 64 14.256 37.260 5.662 1.00 21.54 C ATOM 611 CG2 ILE A 64 11.895 37.049 6.373 1.00 21.30 C ATOM 612 CD1 ILE A 64 14.178 35.801 6.091 1.00 24.10 C ATOM 613 H ILE A 64 13.692 40.943 5.689 1.00 0.00 H ATOM 614 N GLU A 65 10.183 39.331 5.462 1.00 17.73 N ATOM 615 CA GLU A 65 8.918 39.716 6.070 1.00 19.97 C ATOM 616 C GLU A 65 8.430 38.565 6.937 1.00 19.62 C ATOM 617 O GLU A 65 8.318 37.431 6.429 1.00 21.84 O ATOM 618 CB GLU A 65 7.883 40.030 4.990 1.00 21.97 C ATOM 619 CG GLU A 65 8.127 41.298 4.209 1.00 24.00 C ATOM 620 CD GLU A 65 7.547 41.368 2.817 1.00 26.95 C ATOM 621 OE1 GLU A 65 6.466 40.810 2.517 1.00 31.51 O ATOM 622 OE2 GLU A 65 8.184 42.018 1.951 1.00 33.66 O ATOM 623 H GLU A 65 10.164 38.616 4.707 1.00 0.00 H ATOM 624 N ILE A 66 8.173 38.835 8.213 1.00 18.00 N ATOM 625 CA ILE A 66 7.790 37.727 9.102 1.00 16.95 C ATOM 626 C ILE A 66 6.405 38.054 9.641 1.00 18.45 C ATOM 627 O ILE A 66 6.323 39.075 10.339 1.00 19.98 O ATOM 628 CB ILE A 66 8.753 37.527 10.280 1.00 16.41 C ATOM 629 CG1 ILE A 66 10.195 37.224 9.851 1.00 16.68 C ATOM 630 CG2 ILE A 66 8.196 36.466 11.236 1.00 19.10 C ATOM 631 CD1 ILE A 66 11.279 37.505 10.900 1.00 19.69 C ATOM 632 H ILE A 66 8.241 39.808 8.575 1.00 0.00 H ATOM 633 N ALA A 67 5.418 37.252 9.308 1.00 19.48 N ATOM 634 CA ALA A 67 4.036 37.494 9.730 1.00 20.25 C ATOM 635 C ALA A 67 3.650 38.957 9.564 1.00 22.59 C ATOM 636 O ALA A 67 2.975 39.545 10.410 1.00 28.24 O ATOM 637 CB ALA A 67 3.871 37.044 11.170 1.00 21.64 C ATOM 638 H ALA A 67 5.625 36.416 8.725 1.00 0.00 H ATOM 639 N GLY A 68 4.107 39.571 8.471 1.00 24.76 N ATOM 640 CA GLY A 68 3.751 40.953 8.157 1.00 26.86 C ATOM 641 C GLY A 68 4.719 41.987 8.693 1.00 25.28 C ATOM 642 O GLY A 68 4.453 43.181 8.560 1.00 28.06 O ATOM 643 H GLY A 68 4.734 39.051 7.824 1.00 0.00 H ATOM 644 N HIS A 69 5.811 41.555 9.306 1.00 22.90 N ATOM 645 CA HIS A 69 6.763 42.489 9.886 1.00 24.64 C ATOM 646 C HIS A 69 8.099 42.390 9.139 1.00 22.62 C ATOM 647 O HIS A 69 8.678 41.311 9.051 1.00 23.63 O ATOM 648 CB HIS A 69 7.049 42.242 11.364 1.00 25.56 C ATOM 649 CG HIS A 69 5.922 42.369 12.316 1.00 30.39 C ATOM 650 ND1 HIS A 69 5.954 43.282 13.343 1.00 32.52 N ATOM 651 CD2 HIS A 69 4.746 41.725 12.450 1.00 32.15 C ATOM 652 CE1 HIS A 69 4.839 43.197 14.056 1.00 33.46 C ATOM 653 NE2 HIS A 69 4.086 42.255 13.526 1.00 33.60 N ATOM 654 H HIS A 69 5.990 40.533 9.373 1.00 0.00 H ATOM 655 N LYS A 70 8.592 43.521 8.649 1.00 22.91 N ATOM 656 CA LYS A 70 9.858 43.528 7.917 1.00 24.89 C ATOM 657 C LYS A 70 11.042 43.611 8.865 1.00 23.41 C ATOM 658 O LYS A 70 11.080 44.306 9.875 1.00 24.82 O ATOM 659 CB LYS A 70 9.893 44.698 6.920 1.00 30.80 C ATOM 660 CG LYS A 70 8.881 44.513 5.790 1.00 36.37 C ATOM 661 CD LYS A 70 8.435 45.842 5.213 1.00 40.34 C ATOM 662 CE LYS A 70 6.921 46.044 5.166 1.00 42.42 C ATOM 663 NZ LYS A 70 6.501 46.951 4.058 1.00 44.04 N ATOM 664 HZ1 LYS A 70 6.946 47.882 4.187 1.00 0.00 H ATOM 665 HZ2 LYS A 70 6.799 46.546 3.148 1.00 0.00 H ATOM 666 HZ3 LYS A 70 5.466 47.055 4.070 1.00 0.00 H ATOM 667 H LYS A 70 8.073 44.411 8.787 1.00 0.00 H ATOM 668 N ALA A 71 12.046 42.837 8.476 1.00 21.45 N ATOM 669 CA ALA A 71 13.310 42.772 9.207 1.00 20.18 C ATOM 670 C ALA A 71 14.458 42.557 8.244 1.00 20.01 C ATOM 671 O ALA A 71 14.258 42.093 7.123 1.00 28.11 O ATOM 672 CB ALA A 71 13.232 41.673 10.248 1.00 25.19 C ATOM 673 H ALA A 71 11.930 42.256 7.621 1.00 0.00 H ATOM 674 N ILE A 72 15.672 42.870 8.645 1.00 16.07 N ATOM 675 CA ILE A 72 16.839 42.539 7.809 1.00 14.67 C ATOM 676 C ILE A 72 17.844 41.788 8.651 1.00 14.09 C ATOM 677 O ILE A 72 17.984 42.143 9.832 1.00 14.85 O ATOM 678 CB ILE A 72 17.457 43.785 7.149 1.00 17.69 C ATOM 679 CG1 ILE A 72 18.598 43.447 6.166 1.00 17.86 C ATOM 680 CG2 ILE A 72 17.907 44.833 8.154 1.00 20.69 C ATOM 681 CD1 ILE A 72 18.904 44.664 5.289 1.00 18.89 C ATOM 682 H ILE A 72 15.808 43.353 9.556 1.00 0.00 H ATOM 683 N GLY A 73 18.526 40.781 8.100 1.00 12.80 N ATOM 684 CA GLY A 73 19.564 40.163 8.925 1.00 12.31 C ATOM 685 C GLY A 73 20.209 39.045 8.124 1.00 11.83 C ATOM 686 O GLY A 73 20.038 38.897 6.906 1.00 13.46 O ATOM 687 H GLY A 73 18.329 40.453 7.133 1.00 0.00 H ATOM 688 N THR A 74 20.972 38.229 8.848 1.00 11.13 N ATOM 689 CA THR A 74 21.699 37.096 8.275 1.00 11.51 C ATOM 690 C THR A 74 20.725 35.921 8.177 1.00 10.72 C ATOM 691 O THR A 74 19.990 35.645 9.119 1.00 12.52 O ATOM 692 CB THR A 74 22.933 36.744 9.119 1.00 13.34 C ATOM 693 OG1 THR A 74 23.882 37.831 8.993 1.00 16.07 O ATOM 694 CG2 THR A 74 23.650 35.493 8.608 1.00 14.50 C ATOM 695 HG1 THR A 74 24.135 37.938 8.042 1.00 0.00 H ATOM 696 H THR A 74 21.055 38.405 9.870 1.00 0.00 H ATOM 697 N VAL A 75 20.766 35.276 7.012 1.00 10.40 N ATOM 698 CA VAL A 75 19.948 34.099 6.772 1.00 9.31 C ATOM 699 C VAL A 75 20.841 32.948 6.308 1.00 9.04 C ATOM 700 O VAL A 75 21.653 33.140 5.391 1.00 11.35 O ATOM 701 CB VAL A 75 18.872 34.364 5.717 1.00 11.27 C ATOM 702 CG1 VAL A 75 18.079 33.085 5.411 1.00 13.11 C ATOM 703 CG2 VAL A 75 17.918 35.453 6.209 1.00 14.55 C ATOM 704 H VAL A 75 21.396 35.621 6.260 1.00 0.00 H ATOM 705 N LEU A 76 20.686 31.806 6.976 1.00 8.61 N ATOM 706 CA LEU A 76 21.462 30.609 6.612 1.00 8.26 C ATOM 707 C LEU A 76 20.626 29.706 5.730 1.00 8.41 C ATOM 708 O LEU A 76 19.435 29.624 6.024 1.00 11.54 O ATOM 709 CB LEU A 76 21.917 29.854 7.870 1.00 9.00 C ATOM 710 CG LEU A 76 22.580 30.754 8.937 1.00 9.71 C ATOM 711 CD1 LEU A 76 22.896 29.908 10.163 1.00 9.78 C ATOM 712 CD2 LEU A 76 23.815 31.458 8.398 1.00 10.66 C ATOM 713 H LEU A 76 20.009 31.759 7.764 1.00 0.00 H ATOM 714 N VAL A 77 21.209 29.089 4.705 1.00 8.46 N ATOM 715 CA VAL A 77 20.427 28.270 3.776 1.00 9.08 C ATOM 716 C VAL A 77 21.046 26.884 3.731 1.00 8.86 C ATOM 717 O VAL A 77 22.272 26.758 3.545 1.00 10.26 O ATOM 718 CB VAL A 77 20.402 28.906 2.375 1.00 9.70 C ATOM 719 CG1 VAL A 77 19.666 28.013 1.393 1.00 14.29 C ATOM 720 CG2 VAL A 77 19.752 30.298 2.405 1.00 11.35 C ATOM 721 H VAL A 77 22.234 29.190 4.562 1.00 0.00 H ATOM 722 N GLY A 78 20.217 25.850 3.932 1.00 10.39 N ATOM 723 CA GLY A 78 20.817 24.517 3.879 1.00 11.69 C ATOM 724 C GLY A 78 19.796 23.453 4.193 1.00 12.47 C ATOM 725 O GLY A 78 18.596 23.770 4.242 1.00 15.99 O ATOM 726 H GLY A 78 19.203 25.988 4.116 1.00 0.00 H ATOM 727 N PRO A 79 20.227 22.228 4.400 1.00 12.86 N ATOM 728 CA PRO A 79 19.301 21.101 4.555 1.00 13.58 C ATOM 729 C PRO A 79 18.684 21.002 5.944 1.00 13.74 C ATOM 730 O PRO A 79 18.794 19.998 6.647 1.00 17.03 O ATOM 731 CB PRO A 79 20.188 19.884 4.280 1.00 14.62 C ATOM 732 CG PRO A 79 21.550 20.338 4.702 1.00 15.16 C ATOM 733 CD PRO A 79 21.658 21.815 4.420 1.00 14.49 C ATOM 734 N THR A 80 17.994 22.057 6.340 1.00 15.04 N ATOM 735 CA THR A 80 17.212 22.025 7.578 1.00 14.36 C ATOM 736 C THR A 80 15.876 21.318 7.398 1.00 15.48 C ATOM 737 O THR A 80 15.237 21.451 6.345 1.00 16.00 O ATOM 738 CB THR A 80 17.001 23.471 8.072 1.00 12.79 C ATOM 739 OG1 THR A 80 16.241 23.417 9.281 1.00 14.35 O ATOM 740 CG2 THR A 80 16.249 24.313 7.067 1.00 13.29 C ATOM 741 HG1 THR A 80 15.368 22.985 9.102 1.00 0.00 H ATOM 742 H THR A 80 18.006 22.923 5.764 1.00 0.00 H ATOM 743 N PRO A 81 15.410 20.551 8.377 1.00 17.21 N ATOM 744 CA PRO A 81 14.160 19.823 8.180 1.00 17.83 C ATOM 745 C PRO A 81 12.965 20.769 8.200 1.00 18.02 C ATOM 746 O PRO A 81 11.882 20.414 7.746 1.00 21.26 O ATOM 747 CB PRO A 81 14.055 18.890 9.393 1.00 20.65 C ATOM 748 CG PRO A 81 14.923 19.480 10.423 1.00 20.68 C ATOM 749 CD PRO A 81 15.993 20.271 9.705 1.00 19.30 C ATOM 750 N VAL A 82 13.112 21.940 8.779 1.00 17.90 N ATOM 751 CA VAL A 82 12.057 22.934 8.931 1.00 18.92 C ATOM 752 C VAL A 82 12.642 24.332 8.771 1.00 15.01 C ATOM 753 O VAL A 82 13.774 24.546 9.183 1.00 16.79 O ATOM 754 CB VAL A 82 11.367 22.739 10.293 1.00 21.40 C ATOM 755 CG1 VAL A 82 12.361 22.899 11.430 1.00 21.29 C ATOM 756 CG2 VAL A 82 10.184 23.684 10.428 1.00 26.84 C ATOM 757 H VAL A 82 14.052 22.175 9.157 1.00 0.00 H ATOM 758 N ASN A 83 11.921 25.301 8.164 1.00 14.41 N ATOM 759 CA ASN A 83 12.374 26.687 8.134 1.00 11.73 C ATOM 760 C ASN A 83 12.269 27.267 9.552 1.00 12.16 C ATOM 761 O ASN A 83 11.197 27.182 10.157 1.00 11.59 O ATOM 762 CB ASN A 83 11.549 27.542 7.173 1.00 12.80 C ATOM 763 CG ASN A 83 11.649 27.015 5.758 1.00 13.79 C ATOM 764 OD1 ASN A 83 12.727 26.602 5.349 1.00 16.05 O ATOM 765 ND2 ASN A 83 10.522 26.999 5.030 1.00 15.42 N ATOM 766 HD22 ASN A 83 9.636 27.365 5.434 1.00 0.00 H ATOM 767 HD21 ASN A 83 10.534 26.621 4.061 1.00 0.00 H ATOM 768 H ASN A 83 11.021 25.052 7.707 1.00 0.00 H ATOM 769 N ILE A 84 13.347 27.858 10.044 1.00 10.93 N ATOM 770 CA ILE A 84 13.408 28.346 11.419 1.00 10.90 C ATOM 771 C ILE A 84 13.761 29.818 11.464 1.00 9.27 C ATOM 772 O ILE A 84 14.772 30.212 10.866 1.00 12.54 O ATOM 773 CB ILE A 84 14.484 27.542 12.180 1.00 13.96 C ATOM 774 CG1 ILE A 84 13.994 26.096 12.464 1.00 15.10 C ATOM 775 CG2 ILE A 84 14.933 28.258 13.423 1.00 16.65 C ATOM 776 CD1 ILE A 84 15.129 25.097 12.481 1.00 20.96 C ATOM 777 H ILE A 84 14.178 27.979 9.431 1.00 0.00 H ATOM 778 N ILE A 85 12.957 30.617 12.157 1.00 9.46 N ATOM 779 CA ILE A 85 13.248 32.027 12.434 1.00 10.46 C ATOM 780 C ILE A 85 13.862 32.082 13.822 1.00 9.04 C ATOM 781 O ILE A 85 13.200 31.724 14.792 1.00 11.68 O ATOM 782 CB ILE A 85 12.025 32.944 12.390 1.00 10.68 C ATOM 783 CG1 ILE A 85 11.290 32.903 11.055 1.00 12.90 C ATOM 784 CG2 ILE A 85 12.420 34.392 12.677 1.00 13.77 C ATOM 785 CD1 ILE A 85 12.188 33.111 9.853 1.00 14.51 C ATOM 786 H ILE A 85 12.069 30.219 12.525 1.00 0.00 H ATOM 787 N GLY A 86 15.135 32.462 13.863 1.00 8.88 N ATOM 788 CA GLY A 86 15.808 32.465 15.137 1.00 9.29 C ATOM 789 C GLY A 86 15.930 33.857 15.737 1.00 7.58 C ATOM 790 O GLY A 86 15.355 34.823 15.211 1.00 10.70 O ATOM 791 H GLY A 86 15.633 32.750 12.997 1.00 0.00 H ATOM 792 N ARG A 87 16.655 33.937 16.853 1.00 7.97 N ATOM 793 CA ARG A 87 16.701 35.149 17.653 1.00 8.19 C ATOM 794 C ARG A 87 17.205 36.336 16.851 1.00 9.15 C ATOM 795 O ARG A 87 16.758 37.445 17.095 1.00 12.23 O ATOM 796 CB ARG A 87 17.542 35.004 18.943 1.00 8.83 C ATOM 797 CG ARG A 87 16.912 33.992 19.880 1.00 8.76 C ATOM 798 CD ARG A 87 17.588 33.928 21.247 1.00 9.16 C ATOM 799 NE ARG A 87 18.987 33.516 21.068 1.00 10.03 N ATOM 800 CZ ARG A 87 20.039 34.304 21.026 1.00 11.24 C ATOM 801 NH1 ARG A 87 19.966 35.624 21.182 1.00 14.02 N ATOM 802 NH2 ARG A 87 21.239 33.743 20.840 1.00 13.52 N ATOM 803 HE ARG A 87 19.163 32.496 20.964 1.00 0.00 H ATOM 804 HH12 ARG A 87 20.830 36.201 21.140 1.00 0.00 H ATOM 805 HH11 ARG A 87 19.045 36.078 21.346 1.00 0.00 H ATOM 806 HH22 ARG A 87 22.091 34.338 20.802 1.00 0.00 H ATOM 807 HH21 ARG A 87 21.320 32.712 20.733 1.00 0.00 H ATOM 808 H ARG A 87 17.203 33.108 17.160 1.00 0.00 H ATOM 809 N ASN A 88 18.127 36.138 15.906 1.00 9.24 N ATOM 810 CA ASN A 88 18.649 37.301 15.172 1.00 9.83 C ATOM 811 C ASN A 88 17.570 38.084 14.429 1.00 10.91 C ATOM 812 O ASN A 88 17.754 39.294 14.174 1.00 13.71 O ATOM 813 CB ASN A 88 19.723 36.824 14.216 1.00 10.86 C ATOM 814 CG ASN A 88 19.187 36.070 13.004 1.00 13.13 C ATOM 815 OD1 ASN A 88 18.442 35.098 13.159 1.00 13.57 O ATOM 816 ND2 ASN A 88 19.582 36.526 11.811 1.00 12.96 N ATOM 817 HD22 ASN A 88 20.212 37.352 11.752 1.00 0.00 H ATOM 818 HD21 ASN A 88 19.260 36.055 10.942 1.00 0.00 H ATOM 819 H ASN A 88 18.470 35.180 15.693 1.00 0.00 H ATOM 820 N LEU A 89 16.463 37.445 14.091 1.00 10.83 N ATOM 821 CA LEU A 89 15.365 38.181 13.484 1.00 11.55 C ATOM 822 C LEU A 89 14.167 38.317 14.423 1.00 11.16 C ATOM 823 O LEU A 89 13.426 39.295 14.266 1.00 13.56 O ATOM 824 CB LEU A 89 14.887 37.501 12.190 1.00 12.88 C ATOM 825 CG LEU A 89 15.948 37.486 11.091 1.00 13.96 C ATOM 826 CD1 LEU A 89 15.445 36.728 9.873 1.00 19.90 C ATOM 827 CD2 LEU A 89 16.319 38.912 10.721 1.00 21.31 C ATOM 828 H LEU A 89 16.378 36.422 14.258 1.00 0.00 H ATOM 829 N LEU A 90 13.997 37.378 15.363 1.00 10.68 N ATOM 830 CA LEU A 90 12.905 37.565 16.321 1.00 10.32 C ATOM 831 C LEU A 90 13.062 38.904 17.045 1.00 11.26 C ATOM 832 O LEU A 90 12.080 39.580 17.348 1.00 12.04 O ATOM 833 CB LEU A 90 12.795 36.449 17.346 1.00 11.52 C ATOM 834 CG LEU A 90 12.441 35.052 16.778 1.00 11.95 C ATOM 835 CD1 LEU A 90 12.687 33.950 17.797 1.00 13.55 C ATOM 836 CD2 LEU A 90 11.012 35.042 16.264 1.00 16.28 C ATOM 837 H LEU A 90 14.618 36.546 15.411 1.00 0.00 H ATOM 838 N THR A 91 14.307 39.313 17.340 1.00 11.11 N ATOM 839 CA THR A 91 14.477 40.590 18.040 1.00 9.77 C ATOM 840 C THR A 91 13.947 41.776 17.243 1.00 10.17 C ATOM 841 O THR A 91 13.425 42.791 17.736 1.00 13.48 O ATOM 842 CB THR A 91 15.976 40.856 18.336 1.00 10.73 C ATOM 843 OG1 THR A 91 16.731 40.795 17.125 1.00 11.23 O ATOM 844 CG2 THR A 91 16.515 39.835 19.318 1.00 11.95 C ATOM 845 HG1 THR A 91 16.632 39.897 16.721 1.00 0.00 H ATOM 846 H THR A 91 15.132 38.737 17.078 1.00 0.00 H ATOM 847 N GLN A 92 14.127 41.643 15.918 1.00 10.19 N ATOM 848 CA GLN A 92 13.849 42.787 15.051 1.00 11.19 C ATOM 849 C GLN A 92 12.357 43.045 14.934 1.00 13.16 C ATOM 850 O GLN A 92 11.902 44.143 14.569 1.00 19.00 O ATOM 851 CB GLN A 92 14.459 42.547 13.668 1.00 10.64 C ATOM 852 CG GLN A 92 15.993 42.433 13.670 1.00 10.66 C ATOM 853 CD GLN A 92 16.635 43.688 14.250 1.00 10.44 C ATOM 854 OE1 GLN A 92 16.739 44.728 13.595 1.00 11.64 O ATOM 855 NE2 GLN A 92 17.086 43.607 15.505 1.00 11.08 N ATOM 856 HE22 GLN A 92 16.987 42.719 16.037 1.00 0.00 H ATOM 857 HE21 GLN A 92 17.536 44.432 15.950 1.00 0.00 H ATOM 858 H GLN A 92 14.458 40.743 15.516 1.00 0.00 H ATOM 859 N ILE A 93 11.577 42.009 15.228 1.00 13.83 N ATOM 860 CA ILE A 93 10.113 42.140 15.156 1.00 14.89 C ATOM 861 C ILE A 93 9.558 42.387 16.556 1.00 15.72 C ATOM 862 O ILE A 93 8.338 42.456 16.720 1.00 18.28 O ATOM 863 CB ILE A 93 9.446 40.935 14.462 1.00 16.33 C ATOM 864 CG1 ILE A 93 9.527 39.593 15.169 1.00 18.17 C ATOM 865 CG2 ILE A 93 10.031 40.737 13.057 1.00 18.58 C ATOM 866 CD1 ILE A 93 8.691 38.526 14.488 1.00 22.40 C ATOM 867 H ILE A 93 12.003 41.103 15.510 1.00 0.00 H ATOM 868 N GLY A 94 10.450 42.553 17.536 1.00 15.80 N ATOM 869 CA GLY A 94 10.064 42.871 18.897 1.00 15.57 C ATOM 870 C GLY A 94 9.449 41.664 19.600 1.00 16.32 C ATOM 871 O GLY A 94 8.655 41.793 20.553 1.00 18.44 O ATOM 872 H GLY A 94 11.461 42.450 17.314 1.00 0.00 H ATOM 873 N ALA A 95 9.785 40.438 19.171 1.00 16.01 N ATOM 874 CA ALA A 95 9.187 39.288 19.863 1.00 16.34 C ATOM 875 C ALA A 95 9.735 39.070 21.268 1.00 16.51 C ATOM 876 O ALA A 95 10.954 39.150 21.499 1.00 18.22 O ATOM 877 CB ALA A 95 9.373 38.004 19.054 1.00 15.48 C ATOM 878 H ALA A 95 10.445 40.306 18.378 1.00 0.00 H ATOM 879 N THR A 96 8.864 38.771 22.236 1.00 16.73 N ATOM 880 CA THR A 96 9.289 38.445 23.591 1.00 17.67 C ATOM 881 C THR A 96 8.579 37.175 24.073 1.00 16.07 C ATOM 882 O THR A 96 7.485 36.849 23.579 1.00 17.11 O ATOM 883 CB THR A 96 8.964 39.567 24.600 1.00 19.20 C ATOM 884 OG1 THR A 96 7.541 39.804 24.579 1.00 21.67 O ATOM 885 CG2 THR A 96 9.670 40.869 24.227 1.00 21.19 C ATOM 886 HG1 THR A 96 7.066 38.973 24.832 1.00 0.00 H ATOM 887 H THR A 96 7.848 38.771 22.015 1.00 0.00 H ATOM 888 N LEU A 97 9.201 36.499 25.033 1.00 14.63 N ATOM 889 CA LEU A 97 8.560 35.405 25.745 1.00 14.43 C ATOM 890 C LEU A 97 7.948 35.938 27.031 1.00 16.09 C ATOM 891 O LEU A 97 8.610 36.706 27.741 1.00 21.39 O ATOM 892 CB LEU A 97 9.570 34.329 26.128 1.00 15.66 C ATOM 893 CG LEU A 97 9.931 33.323 25.054 1.00 16.29 C ATOM 894 CD1 LEU A 97 11.177 32.531 25.459 1.00 18.77 C ATOM 895 CD2 LEU A 97 8.779 32.349 24.770 1.00 19.64 C ATOM 896 H LEU A 97 10.176 36.760 25.283 1.00 0.00 H ATOM 897 N ASN A 98 6.715 35.571 27.335 1.00 17.58 N ATOM 898 CA ASN A 98 6.053 36.137 28.502 1.00 19.88 C ATOM 899 C ASN A 98 5.406 35.080 29.375 1.00 20.92 C ATOM 900 O ASN A 98 4.738 34.194 28.841 1.00 21.80 O ATOM 901 CB ASN A 98 4.952 37.144 28.083 1.00 22.28 C ATOM 902 CG ASN A 98 5.605 38.397 27.508 1.00 24.64 C ATOM 903 OD1 ASN A 98 5.784 39.377 28.222 1.00 31.49 O ATOM 904 ND2 ASN A 98 5.950 38.280 26.229 1.00 28.82 N ATOM 905 HD22 ASN A 98 5.750 37.398 25.715 1.00 0.00 H ATOM 906 HD21 ASN A 98 6.420 39.070 25.743 1.00 0.00 H ATOM 907 H ASN A 98 6.218 34.878 26.740 1.00 0.00 H ATOM 908 N PHE A 99 5.588 35.156 30.691 1.00 23.25 N ATOM 909 CA PHE A 99 4.827 34.243 31.542 1.00 26.57 C ATOM 910 C PHE A 99 4.735 34.833 32.949 1.00 29.26 C ATOM 911 O PHE A 99 4.156 34.158 33.819 1.00 33.62 O ATOM 912 CB PHE A 99 5.387 32.827 31.547 1.00 27.36 C ATOM 913 CG PHE A 99 6.815 32.639 31.980 1.00 30.17 C ATOM 914 CD1 PHE A 99 7.852 33.023 31.150 1.00 31.79 C ATOM 915 CD2 PHE A 99 7.111 32.072 33.208 1.00 31.32 C ATOM 916 CE1 PHE A 99 9.170 32.839 31.545 1.00 33.84 C ATOM 917 CE2 PHE A 99 8.428 31.898 33.615 1.00 32.92 C ATOM 918 CZ PHE A 99 9.459 32.294 32.782 1.00 33.94 C ATOM 919 OXT PHE A 99 5.236 35.971 33.128 1.00 31.23 O ATOM 920 H PHE A 99 6.251 35.844 31.101 1.00 0.00 H TER 921 PHE A 99 ATOM 922 N PRO B 1 7.282 37.074 34.036 1.00 34.79 N ATOM 923 CA PRO B 1 8.237 38.029 33.484 1.00 33.69 C ATOM 924 C PRO B 1 8.119 38.153 31.976 1.00 31.27 C ATOM 925 O PRO B 1 7.427 37.425 31.272 1.00 30.80 O ATOM 926 CB PRO B 1 9.558 37.323 33.833 1.00 36.88 C ATOM 927 CG PRO B 1 9.211 35.873 33.588 1.00 36.51 C ATOM 928 CD PRO B 1 7.877 35.744 34.279 1.00 36.73 C ATOM 929 HN2 PRO B 1 6.493 36.968 33.367 1.00 0.00 H ATOM 930 HN1 PRO B 1 6.922 37.447 34.938 1.00 0.00 H ATOM 931 N GLN B 2 8.825 39.124 31.416 1.00 29.70 N ATOM 932 CA GLN B 2 8.846 39.267 29.959 1.00 30.04 C ATOM 933 C GLN B 2 10.295 39.133 29.514 1.00 28.47 C ATOM 934 O GLN B 2 11.141 39.869 30.026 1.00 35.45 O ATOM 935 CB GLN B 2 8.253 40.602 29.551 1.00 34.79 C ATOM 936 CG GLN B 2 8.293 40.853 28.053 1.00 38.49 C ATOM 937 CD GLN B 2 7.496 42.114 27.735 1.00 41.29 C ATOM 938 OE1 GLN B 2 8.104 43.131 27.400 1.00 47.61 O ATOM 939 NE2 GLN B 2 6.181 42.025 27.858 1.00 46.72 N ATOM 940 HE22 GLN B 2 5.745 41.126 28.147 1.00 0.00 H ATOM 941 HE21 GLN B 2 5.583 42.854 27.666 1.00 0.00 H ATOM 942 H GLN B 2 9.364 39.785 32.011 1.00 0.00 H ATOM 943 N ILE B 3 10.625 38.224 28.626 1.00 22.42 N ATOM 944 CA ILE B 3 12.027 37.953 28.282 1.00 21.53 C ATOM 945 C ILE B 3 12.288 38.380 26.857 1.00 18.79 C ATOM 946 O ILE B 3 11.615 37.860 25.967 1.00 19.82 O ATOM 947 CB ILE B 3 12.283 36.442 28.432 1.00 22.56 C ATOM 948 CG1 ILE B 3 12.014 35.939 29.860 1.00 25.06 C ATOM 949 CG2 ILE B 3 13.659 36.010 27.986 1.00 21.86 C ATOM 950 CD1 ILE B 3 12.539 34.527 30.036 1.00 31.91 C ATOM 951 H ILE B 3 9.874 37.681 28.154 1.00 0.00 H ATOM 952 N THR B 4 13.193 39.322 26.620 1.00 18.86 N ATOM 953 CA THR B 4 13.578 39.659 25.249 1.00 16.63 C ATOM 954 C THR B 4 14.622 38.674 24.736 1.00 15.12 C ATOM 955 O THR B 4 15.153 37.833 25.457 1.00 17.74 O ATOM 956 CB THR B 4 14.149 41.078 25.150 1.00 17.58 C ATOM 957 OG1 THR B 4 15.249 41.130 26.073 1.00 20.07 O ATOM 958 CG2 THR B 4 13.133 42.131 25.574 1.00 22.67 C ATOM 959 HG1 THR B 4 15.925 40.454 25.817 1.00 0.00 H ATOM 960 H THR B 4 13.633 39.825 27.417 1.00 0.00 H ATOM 961 N LEU B 5 14.922 38.728 23.452 1.00 12.84 N ATOM 962 CA LEU B 5 15.706 37.648 22.867 1.00 11.84 C ATOM 963 C LEU B 5 17.053 38.066 22.319 1.00 10.47 C ATOM 964 O LEU B 5 17.640 37.393 21.464 1.00 11.76 O ATOM 965 CB LEU B 5 14.865 37.001 21.743 1.00 11.37 C ATOM 966 CG LEU B 5 13.560 36.366 22.264 1.00 12.44 C ATOM 967 CD1 LEU B 5 12.626 35.995 21.114 1.00 18.65 C ATOM 968 CD2 LEU B 5 13.862 35.183 23.157 1.00 13.95 C ATOM 969 H LEU B 5 14.604 39.528 22.868 1.00 0.00 H ATOM 970 N TRP B 6 17.585 39.162 22.814 1.00 10.73 N ATOM 971 CA TRP B 6 18.891 39.657 22.400 1.00 12.26 C ATOM 972 C TRP B 6 19.970 38.736 22.945 1.00 13.58 C ATOM 973 O TRP B 6 21.080 38.672 22.423 1.00 19.24 O ATOM 974 CB TRP B 6 19.080 41.100 22.860 1.00 13.77 C ATOM 975 CG TRP B 6 17.956 41.998 22.470 1.00 14.38 C ATOM 976 CD1 TRP B 6 16.850 42.346 23.209 1.00 15.83 C ATOM 977 CD2 TRP B 6 17.829 42.680 21.213 1.00 15.65 C ATOM 978 NE1 TRP B 6 16.037 43.214 22.473 1.00 16.94 N ATOM 979 CE2 TRP B 6 16.632 43.430 21.244 1.00 16.81 C ATOM 980 CE3 TRP B 6 18.640 42.711 20.086 1.00 15.09 C ATOM 981 CZ2 TRP B 6 16.207 44.220 20.176 1.00 16.83 C ATOM 982 CZ3 TRP B 6 18.217 43.492 19.022 1.00 14.75 C ATOM 983 CH2 TRP B 6 17.018 44.227 19.077 1.00 16.00 C ATOM 984 HE1 TRP B 6 15.138 43.626 22.795 1.00 0.00 H ATOM 985 H TRP B 6 17.052 39.697 23.529 1.00 0.00 H ATOM 986 N LYS B 7 19.684 38.004 24.019 1.00 15.33 N ATOM 987 CA LYS B 7 20.561 36.947 24.503 1.00 17.01 C ATOM 988 C LYS B 7 19.774 35.647 24.573 1.00 14.43 C ATOM 989 O LYS B 7 18.539 35.614 24.485 1.00 15.05 O ATOM 990 CB LYS B 7 21.133 37.307 25.875 1.00 22.65 C ATOM 991 CG LYS B 7 22.142 38.461 25.880 1.00 29.96 C ATOM 992 CD LYS B 7 22.502 38.861 27.305 1.00 35.57 C ATOM 993 CE LYS B 7 21.351 38.454 28.227 1.00 39.59 C ATOM 994 NZ LYS B 7 21.559 37.100 28.832 1.00 51.76 N ATOM 995 HZ1 LYS B 7 21.632 36.391 28.075 1.00 0.00 H ATOM 996 HZ2 LYS B 7 22.435 37.103 29.392 1.00 0.00 H ATOM 997 HZ3 LYS B 7 20.753 36.869 29.448 1.00 0.00 H ATOM 998 H LYS B 7 18.800 38.194 24.533 1.00 0.00 H ATOM 999 N ARG B 8 20.462 34.535 24.744 1.00 12.74 N ATOM 1000 CA ARG B 8 19.723 33.260 24.869 1.00 12.23 C ATOM 1001 C ARG B 8 18.782 33.269 26.056 1.00 12.19 C ATOM 1002 O ARG B 8 19.214 33.731 27.115 1.00 14.20 O ATOM 1003 CB ARG B 8 20.714 32.097 24.996 1.00 14.06 C ATOM 1004 CG ARG B 8 21.546 31.893 23.733 1.00 15.29 C ATOM 1005 CD ARG B 8 22.474 30.695 23.938 1.00 17.26 C ATOM 1006 NE ARG B 8 23.180 30.415 22.691 1.00 17.48 N ATOM 1007 CZ ARG B 8 24.316 29.731 22.603 1.00 19.30 C ATOM 1008 NH1 ARG B 8 24.869 29.264 23.712 1.00 27.28 N ATOM 1009 NH2 ARG B 8 24.854 29.536 21.408 1.00 20.98 N ATOM 1010 HE ARG B 8 22.764 30.777 21.809 1.00 0.00 H ATOM 1011 HH12 ARG B 8 25.758 28.726 23.663 1.00 0.00 H ATOM 1012 HH11 ARG B 8 24.414 29.435 24.632 1.00 0.00 H ATOM 1013 HH22 ARG B 8 25.743 29.003 21.318 1.00 0.00 H ATOM 1014 HH21 ARG B 8 24.388 29.916 20.560 1.00 0.00 H ATOM 1015 H ARG B 8 21.501 34.554 24.790 1.00 0.00 H ATOM 1016 N PRO B 9 17.549 32.801 25.905 1.00 12.23 N ATOM 1017 CA PRO B 9 16.629 32.819 27.050 1.00 12.60 C ATOM 1018 C PRO B 9 16.885 31.662 28.019 1.00 11.49 C ATOM 1019 O PRO B 9 16.139 30.672 28.035 1.00 11.57 O ATOM 1020 CB PRO B 9 15.251 32.693 26.376 1.00 13.13 C ATOM 1021 CG PRO B 9 15.539 31.928 25.111 1.00 12.77 C ATOM 1022 CD PRO B 9 16.918 32.331 24.678 1.00 12.88 C ATOM 1023 N LEU B 10 17.940 31.798 28.820 1.00 12.36 N ATOM 1024 CA LEU B 10 18.352 30.820 29.806 1.00 13.10 C ATOM 1025 C LEU B 10 17.741 31.112 31.170 1.00 13.29 C ATOM 1026 O LEU B 10 17.734 32.263 31.609 1.00 19.32 O ATOM 1027 CB LEU B 10 19.875 30.824 30.026 1.00 17.20 C ATOM 1028 CG LEU B 10 20.677 30.398 28.796 1.00 20.26 C ATOM 1029 CD1 LEU B 10 22.144 30.744 28.981 1.00 23.63 C ATOM 1030 CD2 LEU B 10 20.472 28.912 28.544 1.00 23.76 C ATOM 1031 H LEU B 10 18.507 32.665 28.732 1.00 0.00 H ATOM 1032 N VAL B 11 17.250 30.053 31.773 1.00 11.42 N ATOM 1033 CA VAL B 11 16.646 30.149 33.100 1.00 12.26 C ATOM 1034 C VAL B 11 17.229 29.048 33.965 1.00 11.70 C ATOM 1035 O VAL B 11 17.832 28.079 33.482 1.00 14.07 O ATOM 1036 CB VAL B 11 15.116 30.004 33.047 1.00 14.68 C ATOM 1037 CG1 VAL B 11 14.498 31.092 32.164 1.00 16.14 C ATOM 1038 CG2 VAL B 11 14.690 28.627 32.557 1.00 17.31 C ATOM 1039 H VAL B 11 17.292 29.129 31.297 1.00 0.00 H ATOM 1040 N THR B 12 17.011 29.223 35.267 1.00 11.59 N ATOM 1041 CA THR B 12 17.339 28.139 36.183 1.00 12.44 C ATOM 1042 C THR B 12 16.134 27.231 36.365 1.00 12.00 C ATOM 1043 O THR B 12 15.000 27.740 36.511 1.00 14.98 O ATOM 1044 CB THR B 12 17.721 28.711 37.568 1.00 16.88 C ATOM 1045 OG1 THR B 12 18.849 29.567 37.450 1.00 22.32 O ATOM 1046 CG2 THR B 12 18.131 27.558 38.484 1.00 22.96 C ATOM 1047 HG1 THR B 12 19.084 29.927 38.342 1.00 0.00 H ATOM 1048 H THR B 12 16.614 30.116 35.623 1.00 0.00 H ATOM 1049 N ILE B 13 16.432 25.938 36.342 1.00 10.35 N ATOM 1050 CA ILE B 13 15.416 24.909 36.625 1.00 10.46 C ATOM 1051 C ILE B 13 15.832 24.087 37.837 1.00 10.70 C ATOM 1052 O ILE B 13 17.013 24.053 38.202 1.00 13.68 O ATOM 1053 CB ILE B 13 15.151 23.958 35.444 1.00 11.85 C ATOM 1054 CG1 ILE B 13 16.343 23.078 35.147 1.00 13.72 C ATOM 1055 CG2 ILE B 13 14.716 24.790 34.240 1.00 12.51 C ATOM 1056 CD1 ILE B 13 16.130 21.987 34.110 1.00 15.49 C ATOM 1057 H ILE B 13 17.405 25.644 36.119 1.00 0.00 H ATOM 1058 N LYS B 14 14.866 23.432 38.468 1.00 11.31 N ATOM 1059 CA LYS B 14 15.148 22.563 39.595 1.00 12.11 C ATOM 1060 C LYS B 14 14.457 21.230 39.340 1.00 11.26 C ATOM 1061 O LYS B 14 13.250 21.149 39.178 1.00 12.13 O ATOM 1062 CB LYS B 14 14.646 23.155 40.923 1.00 13.87 C ATOM 1063 CG LYS B 14 15.089 22.247 42.068 1.00 15.07 C ATOM 1064 CD LYS B 14 14.981 22.918 43.418 1.00 17.30 C ATOM 1065 CE LYS B 14 13.540 23.064 43.871 1.00 20.64 C ATOM 1066 NZ LYS B 14 13.496 23.610 45.283 1.00 24.01 N ATOM 1067 HZ1 LYS B 14 13.992 22.956 45.922 1.00 0.00 H ATOM 1068 HZ2 LYS B 14 13.960 24.540 45.308 1.00 0.00 H ATOM 1069 HZ3 LYS B 14 12.506 23.707 45.585 1.00 0.00 H ATOM 1070 H LYS B 14 13.883 23.544 38.147 1.00 0.00 H ATOM 1071 N ILE B 15 15.331 20.218 39.269 1.00 13.27 N ATOM 1072 CA ILE B 15 14.787 18.863 39.018 1.00 14.49 C ATOM 1073 C ILE B 15 15.571 17.908 39.901 1.00 17.58 C ATOM 1074 O ILE B 15 16.824 18.050 39.949 1.00 19.70 O ATOM 1075 CB ILE B 15 14.842 18.585 37.508 1.00 17.84 C ATOM 1076 CG1 ILE B 15 14.356 17.174 37.158 1.00 22.08 C ATOM 1077 CG2 ILE B 15 16.231 18.851 36.917 1.00 21.96 C ATOM 1078 CD1 ILE B 15 14.204 16.951 35.659 1.00 26.01 C ATOM 1079 H ILE B 15 16.352 20.377 39.386 1.00 0.00 H ATOM 1080 N GLY B 16 14.945 16.997 40.632 1.00 20.81 N ATOM 1081 CA GLY B 16 15.645 16.052 41.529 1.00 22.95 C ATOM 1082 C GLY B 16 16.431 16.780 42.602 1.00 24.11 C ATOM 1083 O GLY B 16 17.479 16.345 43.056 1.00 29.16 O ATOM 1084 H GLY B 16 13.908 16.944 40.572 1.00 0.00 H ATOM 1085 N GLY B 17 15.972 17.960 43.046 1.00 22.60 N ATOM 1086 CA GLY B 17 16.642 18.790 44.043 1.00 21.86 C ATOM 1087 C GLY B 17 17.871 19.512 43.537 1.00 19.90 C ATOM 1088 O GLY B 17 18.591 20.157 44.317 1.00 24.27 O ATOM 1089 H GLY B 17 15.075 18.308 42.652 1.00 0.00 H ATOM 1090 N GLN B 18 18.140 19.390 42.242 1.00 18.74 N ATOM 1091 CA GLN B 18 19.378 20.000 41.749 1.00 19.91 C ATOM 1092 C GLN B 18 19.011 21.182 40.872 1.00 16.50 C ATOM 1093 O GLN B 18 18.046 21.152 40.102 1.00 15.21 O ATOM 1094 CB GLN B 18 20.212 19.041 40.898 1.00 24.82 C ATOM 1095 CG GLN B 18 20.046 17.584 41.238 1.00 31.70 C ATOM 1096 CD GLN B 18 20.842 16.555 40.453 1.00 35.75 C ATOM 1097 OE1 GLN B 18 21.895 16.805 39.856 1.00 45.55 O ATOM 1098 NE2 GLN B 18 20.350 15.301 40.426 1.00 44.73 N ATOM 1099 HE22 GLN B 18 19.465 15.079 40.925 1.00 0.00 H ATOM 1100 HE21 GLN B 18 20.855 14.555 39.907 1.00 0.00 H ATOM 1101 H GLN B 18 17.497 18.881 41.602 1.00 0.00 H ATOM 1102 N LEU B 19 19.816 22.232 40.928 1.00 15.02 N ATOM 1103 CA LEU B 19 19.599 23.364 40.056 1.00 12.82 C ATOM 1104 C LEU B 19 20.398 23.147 38.775 1.00 13.62 C ATOM 1105 O LEU B 19 21.567 22.725 38.836 1.00 18.37 O ATOM 1106 CB LEU B 19 20.100 24.647 40.716 1.00 14.32 C ATOM 1107 CG LEU B 19 19.394 25.160 41.971 1.00 16.22 C ATOM 1108 CD1 LEU B 19 20.006 26.486 42.404 1.00 18.18 C ATOM 1109 CD2 LEU B 19 17.894 25.279 41.735 1.00 18.18 C ATOM 1110 H LEU B 19 20.608 22.242 41.602 1.00 0.00 H ATOM 1111 N LYS B 20 19.824 23.451 37.625 1.00 14.12 N ATOM 1112 CA LYS B 20 20.490 23.363 36.329 1.00 13.81 C ATOM 1113 C LYS B 20 20.094 24.587 35.504 1.00 13.34 C ATOM 1114 O LYS B 20 19.109 25.268 35.841 1.00 16.23 O ATOM 1115 CB LYS B 20 20.070 22.107 35.598 1.00 15.92 C ATOM 1116 CG LYS B 20 20.560 20.800 36.176 1.00 20.37 C ATOM 1117 CD LYS B 20 19.776 19.656 35.514 1.00 24.75 C ATOM 1118 CE LYS B 20 20.121 18.329 36.166 1.00 28.00 C ATOM 1119 NZ LYS B 20 21.615 18.199 36.152 1.00 38.34 N ATOM 1120 HZ1 LYS B 20 21.955 18.222 35.169 1.00 0.00 H ATOM 1121 HZ2 LYS B 20 22.035 18.988 36.684 1.00 0.00 H ATOM 1122 HZ3 LYS B 20 21.887 17.297 36.593 1.00 0.00 H ATOM 1123 H LYS B 20 18.835 23.773 37.644 1.00 0.00 H ATOM 1124 N GLU B 21 20.841 24.868 34.440 1.00 14.07 N ATOM 1125 CA GLU B 21 20.447 25.925 33.495 1.00 16.08 C ATOM 1126 C GLU B 21 19.739 25.303 32.309 1.00 13.08 C ATOM 1127 O GLU B 21 20.124 24.189 31.872 1.00 15.54 O ATOM 1128 CB GLU B 21 21.721 26.655 33.090 1.00 19.70 C ATOM 1129 CG GLU B 21 21.755 27.536 31.877 1.00 22.62 C ATOM 1130 CD GLU B 21 23.123 28.115 31.537 1.00 26.51 C ATOM 1131 OE1 GLU B 21 23.941 27.471 30.837 1.00 31.71 O ATOM 1132 OE2 GLU B 21 23.409 29.262 31.955 1.00 30.97 O ATOM 1133 H GLU B 21 21.717 24.333 34.273 1.00 0.00 H ATOM 1134 N ALA B 22 18.710 25.929 31.754 1.00 12.07 N ATOM 1135 CA ALA B 22 18.015 25.390 30.592 1.00 10.26 C ATOM 1136 C ALA B 22 17.581 26.575 29.708 1.00 10.13 C ATOM 1137 O ALA B 22 17.410 27.716 30.170 1.00 13.55 O ATOM 1138 CB ALA B 22 16.801 24.509 30.937 1.00 10.97 C ATOM 1139 H ALA B 22 18.390 26.831 32.160 1.00 0.00 H ATOM 1140 N LEU B 23 17.363 26.274 28.435 1.00 9.76 N ATOM 1141 CA LEU B 23 16.966 27.259 27.436 1.00 10.27 C ATOM 1142 C LEU B 23 15.475 27.143 27.154 1.00 11.51 C ATOM 1143 O LEU B 23 14.997 26.040 26.849 1.00 11.44 O ATOM 1144 CB LEU B 23 17.797 26.915 26.199 1.00 14.18 C ATOM 1145 CG LEU B 23 17.648 27.672 24.898 1.00 15.48 C ATOM 1146 CD1 LEU B 23 18.212 29.068 25.071 1.00 19.26 C ATOM 1147 CD2 LEU B 23 18.380 26.933 23.790 1.00 15.71 C ATOM 1148 H LEU B 23 17.481 25.286 28.134 1.00 0.00 H ATOM 1149 N LEU B 24 14.732 28.240 27.251 1.00 11.46 N ATOM 1150 CA LEU B 24 13.324 28.192 26.845 1.00 13.01 C ATOM 1151 C LEU B 24 13.213 28.117 25.331 1.00 13.67 C ATOM 1152 O LEU B 24 13.681 29.051 24.661 1.00 14.64 O ATOM 1153 CB LEU B 24 12.602 29.428 27.362 1.00 15.19 C ATOM 1154 CG LEU B 24 12.681 29.631 28.875 1.00 15.04 C ATOM 1155 CD1 LEU B 24 11.927 30.927 29.179 1.00 22.46 C ATOM 1156 CD2 LEU B 24 12.129 28.447 29.621 1.00 17.34 C ATOM 1157 H LEU B 24 15.145 29.124 27.611 1.00 0.00 H ATOM 1158 N ASP B 25 12.636 27.044 24.796 1.00 12.88 N ATOM 1159 CA ASP B 25 12.733 26.802 23.348 1.00 12.72 C ATOM 1160 C ASP B 25 11.384 26.631 22.678 1.00 11.63 C ATOM 1161 O ASP B 25 10.817 25.526 22.696 1.00 11.21 O ATOM 1162 CB ASP B 25 13.576 25.546 23.114 1.00 15.32 C ATOM 1163 CG ASP B 25 13.929 25.363 21.652 1.00 16.52 C ATOM 1164 OD1 ASP B 25 13.395 26.097 20.794 1.00 17.05 O ATOM 1165 OD2 ASP B 25 14.763 24.465 21.358 1.00 24.60 O ATOM 1166 H ASP B 25 12.117 26.377 25.401 1.00 0.00 H ATOM 1167 N THR B 26 10.853 27.703 22.068 1.00 10.21 N ATOM 1168 CA THR B 26 9.537 27.541 21.440 1.00 10.01 C ATOM 1169 C THR B 26 9.550 26.632 20.221 1.00 11.04 C ATOM 1170 O THR B 26 8.505 26.181 19.777 1.00 13.14 O ATOM 1171 CB THR B 26 8.984 28.913 21.025 1.00 10.79 C ATOM 1172 OG1 THR B 26 9.927 29.571 20.155 1.00 10.73 O ATOM 1173 CG2 THR B 26 8.807 29.791 22.251 1.00 14.09 C ATOM 1174 HG1 THR B 26 10.072 29.016 19.348 1.00 0.00 H ATOM 1175 H THR B 26 11.355 28.613 22.042 1.00 0.00 H ATOM 1176 N GLY B 27 10.706 26.330 19.666 1.00 11.00 N ATOM 1177 CA GLY B 27 10.939 25.468 18.527 1.00 10.28 C ATOM 1178 C GLY B 27 11.113 24.000 18.934 1.00 9.87 C ATOM 1179 O GLY B 27 11.366 23.136 18.079 1.00 13.28 O ATOM 1180 H GLY B 27 11.549 26.761 20.096 1.00 0.00 H ATOM 1181 N ALA B 28 10.956 23.653 20.217 1.00 9.72 N ATOM 1182 CA ALA B 28 11.030 22.297 20.738 1.00 9.23 C ATOM 1183 C ALA B 28 9.629 21.837 21.185 1.00 9.70 C ATOM 1184 O ALA B 28 8.955 22.488 21.979 1.00 9.99 O ATOM 1185 CB ALA B 28 12.011 22.213 21.898 1.00 11.42 C ATOM 1186 H ALA B 28 10.765 24.416 20.898 1.00 0.00 H ATOM 1187 N ASP B 29 9.175 20.692 20.665 1.00 9.83 N ATOM 1188 CA ASP B 29 7.917 20.137 21.099 1.00 11.17 C ATOM 1189 C ASP B 29 8.019 19.647 22.551 1.00 11.39 C ATOM 1190 O ASP B 29 7.077 19.710 23.342 1.00 14.26 O ATOM 1191 CB ASP B 29 7.552 18.928 20.243 1.00 13.76 C ATOM 1192 CG ASP B 29 7.207 19.204 18.793 1.00 15.86 C ATOM 1193 OD1 ASP B 29 7.027 20.375 18.393 1.00 15.82 O ATOM 1194 OD2 ASP B 29 7.098 18.178 18.042 1.00 19.29 O ATOM 1195 H ASP B 29 9.734 20.197 19.941 1.00 0.00 H ATOM 1196 N ASP B 30 9.180 19.117 22.908 1.00 11.77 N ATOM 1197 CA ASP B 30 9.462 18.375 24.109 1.00 12.68 C ATOM 1198 C ASP B 30 10.611 18.994 24.911 1.00 12.29 C ATOM 1199 O ASP B 30 11.394 19.784 24.380 1.00 13.80 O ATOM 1200 CB ASP B 30 9.907 16.930 23.749 1.00 15.47 C ATOM 1201 CG ASP B 30 9.023 16.270 22.709 1.00 17.77 C ATOM 1202 OD1 ASP B 30 7.808 16.120 23.030 1.00 22.70 O ATOM 1203 OD2 ASP B 30 9.425 15.890 21.577 1.00 24.67 O ATOM 1204 H ASP B 30 9.973 19.252 22.249 1.00 0.00 H ATOM 1205 N THR B 31 10.663 18.598 26.174 1.00 11.61 N ATOM 1206 CA THR B 31 11.735 19.018 27.095 1.00 10.85 C ATOM 1207 C THR B 31 12.810 17.948 27.107 1.00 9.64 C ATOM 1208 O THR B 31 12.515 16.752 27.297 1.00 11.67 O ATOM 1209 CB THR B 31 11.104 19.271 28.468 1.00 11.54 C ATOM 1210 OG1 THR B 31 10.254 20.436 28.341 1.00 11.55 O ATOM 1211 CG2 THR B 31 12.138 19.577 29.554 1.00 11.53 C ATOM 1212 HG1 THR B 31 9.554 20.260 27.663 1.00 0.00 H ATOM 1213 H THR B 31 9.918 17.966 26.530 1.00 0.00 H ATOM 1214 N VAL B 32 14.053 18.388 26.905 1.00 9.87 N ATOM 1215 CA VAL B 32 15.168 17.441 26.843 1.00 11.95 C ATOM 1216 C VAL B 32 16.319 17.886 27.735 1.00 10.57 C ATOM 1217 O VAL B 32 16.776 19.012 27.600 1.00 13.15 O ATOM 1218 CB VAL B 32 15.706 17.281 25.393 1.00 15.46 C ATOM 1219 CG1 VAL B 32 16.567 16.031 25.308 1.00 16.46 C ATOM 1220 CG2 VAL B 32 14.573 17.239 24.397 1.00 20.70 C ATOM 1221 H VAL B 32 14.231 19.406 26.791 1.00 0.00 H ATOM 1222 N ILE B 33 16.795 17.017 28.615 1.00 11.43 N ATOM 1223 CA ILE B 33 17.876 17.374 29.518 1.00 12.60 C ATOM 1224 C ILE B 33 19.021 16.385 29.399 1.00 11.84 C ATOM 1225 O ILE B 33 18.845 15.232 28.994 1.00 11.98 O ATOM 1226 CB ILE B 33 17.323 17.327 30.956 1.00 13.39 C ATOM 1227 CG1 ILE B 33 16.000 18.099 31.121 1.00 13.31 C ATOM 1228 CG2 ILE B 33 18.320 17.782 32.011 1.00 15.78 C ATOM 1229 CD1 ILE B 33 16.202 19.589 31.187 1.00 14.54 C ATOM 1230 H ILE B 33 16.387 16.061 28.660 1.00 0.00 H ATOM 1231 N GLU B 34 20.202 16.829 29.778 1.00 13.56 N ATOM 1232 CA GLU B 34 21.423 16.040 29.731 1.00 17.43 C ATOM 1233 C GLU B 34 21.338 14.870 30.692 1.00 17.49 C ATOM 1234 O GLU B 34 20.480 14.925 31.585 1.00 20.72 O ATOM 1235 CB GLU B 34 22.610 16.939 30.110 1.00 22.21 C ATOM 1236 CG GLU B 34 22.796 18.020 29.043 1.00 30.24 C ATOM 1237 CD GLU B 34 23.624 19.196 29.530 1.00 36.19 C ATOM 1238 OE1 GLU B 34 24.268 19.076 30.598 1.00 43.51 O ATOM 1239 OE2 GLU B 34 23.639 20.246 28.852 1.00 47.77 O ATOM 1240 H GLU B 34 20.265 17.805 30.133 1.00 0.00 H ATOM 1241 N GLU B 35 22.182 13.881 30.469 1.00 18.40 N ATOM 1242 CA GLU B 35 22.151 12.666 31.268 1.00 21.90 C ATOM 1243 C GLU B 35 22.068 12.994 32.751 1.00 21.08 C ATOM 1244 O GLU B 35 22.848 13.804 33.259 1.00 23.08 O ATOM 1245 CB GLU B 35 23.422 11.849 31.007 1.00 24.07 C ATOM 1246 CG GLU B 35 23.552 10.580 31.836 1.00 24.20 C ATOM 1247 CD GLU B 35 22.384 9.611 31.712 1.00 26.78 C ATOM 1248 OE1 GLU B 35 21.910 9.411 30.567 1.00 29.74 O ATOM 1249 OE2 GLU B 35 21.899 8.999 32.700 1.00 29.26 O ATOM 1250 H GLU B 35 22.884 13.972 29.707 1.00 0.00 H ATOM 1251 N MET B 36 21.092 12.416 33.405 1.00 22.23 N ATOM 1252 CA MET B 36 20.862 12.553 34.838 1.00 23.21 C ATOM 1253 C MET B 36 19.993 11.390 35.333 1.00 21.76 C ATOM 1254 O MET B 36 19.374 10.661 34.565 1.00 23.31 O ATOM 1255 CB MET B 36 20.233 13.914 35.120 1.00 23.83 C ATOM 1256 CG MET B 36 18.746 13.981 34.957 1.00 24.05 C ATOM 1257 SD MET B 36 18.008 15.452 35.687 1.00 31.29 S ATOM 1258 CE MET B 36 18.148 15.075 37.440 1.00 34.60 C ATOM 1259 H MET B 36 20.435 11.818 32.865 1.00 0.00 H ATOM 1260 N SER B 37 19.928 11.137 36.636 1.00 22.45 N ATOM 1261 CA SER B 37 19.115 10.045 37.153 1.00 21.93 C ATOM 1262 C SER B 37 17.733 10.574 37.538 1.00 20.81 C ATOM 1263 O SER B 37 17.622 11.625 38.214 1.00 25.04 O ATOM 1264 CB SER B 37 19.780 9.410 38.370 1.00 31.73 C ATOM 1265 OG SER B 37 18.861 8.872 39.301 1.00 32.46 O ATOM 1266 HG SER B 37 18.267 9.592 39.630 1.00 0.00 H ATOM 1267 H SER B 37 20.468 11.730 37.299 1.00 0.00 H ATOM 1268 N LEU B 38 16.697 9.889 37.097 1.00 19.27 N ATOM 1269 CA LEU B 38 15.320 10.265 37.384 1.00 18.38 C ATOM 1270 C LEU B 38 14.584 9.027 37.870 1.00 16.35 C ATOM 1271 O LEU B 38 14.937 7.907 37.463 1.00 18.30 O ATOM 1272 CB LEU B 38 14.596 10.805 36.173 1.00 16.21 C ATOM 1273 CG LEU B 38 15.027 12.161 35.642 1.00 14.73 C ATOM 1274 CD1 LEU B 38 14.177 12.521 34.429 1.00 18.46 C ATOM 1275 CD2 LEU B 38 14.946 13.245 36.726 1.00 19.35 C ATOM 1276 H LEU B 38 16.871 9.042 36.518 1.00 0.00 H ATOM 1277 N PRO B 39 13.605 9.204 38.734 1.00 19.18 N ATOM 1278 CA PRO B 39 12.915 8.022 39.266 1.00 19.47 C ATOM 1279 C PRO B 39 11.942 7.382 38.303 1.00 17.81 C ATOM 1280 O PRO B 39 11.454 8.071 37.422 1.00 18.74 O ATOM 1281 CB PRO B 39 12.118 8.617 40.434 1.00 20.85 C ATOM 1282 CG PRO B 39 11.875 10.032 40.046 1.00 21.21 C ATOM 1283 CD PRO B 39 13.116 10.469 39.306 1.00 21.99 C ATOM 1284 N GLY B 40 11.666 6.085 38.520 1.00 15.29 N ATOM 1285 CA GLY B 40 10.637 5.390 37.814 1.00 15.12 C ATOM 1286 C GLY B 40 11.089 4.723 36.532 1.00 13.97 C ATOM 1287 O GLY B 40 12.287 4.604 36.235 1.00 17.98 O ATOM 1288 H GLY B 40 12.223 5.567 39.229 1.00 0.00 H ATOM 1289 N ARG B 41 10.075 4.283 35.788 1.00 13.98 N ATOM 1290 CA ARG B 41 10.322 3.610 34.517 1.00 13.68 C ATOM 1291 C ARG B 41 10.509 4.625 33.399 1.00 12.59 C ATOM 1292 O ARG B 41 9.962 5.729 33.468 1.00 15.55 O ATOM 1293 CB ARG B 41 9.141 2.672 34.152 1.00 15.49 C ATOM 1294 CG ARG B 41 9.192 1.469 35.099 1.00 17.70 C ATOM 1295 CD ARG B 41 8.448 0.256 34.739 1.00 15.83 C ATOM 1296 NE ARG B 41 8.593 -0.325 33.438 1.00 15.02 N ATOM 1297 CZ ARG B 41 9.450 -1.319 33.151 1.00 12.38 C ATOM 1298 NH1 ARG B 41 10.264 -1.811 34.081 1.00 12.58 N ATOM 1299 NH2 ARG B 41 9.475 -1.782 31.914 1.00 13.18 N ATOM 1300 HE ARG B 41 7.999 0.045 32.669 1.00 0.00 H ATOM 1301 HH12 ARG B 41 10.921 -2.581 33.842 1.00 0.00 H ATOM 1302 HH11 ARG B 41 10.243 -1.426 35.047 1.00 0.00 H ATOM 1303 HH22 ARG B 41 10.127 -2.551 31.660 1.00 0.00 H ATOM 1304 HH21 ARG B 41 8.842 -1.377 31.194 1.00 0.00 H ATOM 1305 H ARG B 41 9.098 4.421 36.116 1.00 0.00 H ATOM 1306 N TRP B 42 11.231 4.224 32.359 1.00 12.04 N ATOM 1307 CA TRP B 42 11.237 5.069 31.172 1.00 11.86 C ATOM 1308 C TRP B 42 10.830 4.251 29.935 1.00 13.71 C ATOM 1309 O TRP B 42 10.791 3.011 29.968 1.00 15.27 O ATOM 1310 CB TRP B 42 12.604 5.684 30.946 1.00 13.71 C ATOM 1311 CG TRP B 42 13.745 4.702 30.907 1.00 14.64 C ATOM 1312 CD1 TRP B 42 14.418 4.065 31.910 1.00 14.61 C ATOM 1313 CD2 TRP B 42 14.361 4.242 29.693 1.00 15.65 C ATOM 1314 NE1 TRP B 42 15.416 3.239 31.417 1.00 14.77 N ATOM 1315 CE2 TRP B 42 15.391 3.343 30.046 1.00 15.54 C ATOM 1316 CE3 TRP B 42 14.123 4.532 28.336 1.00 17.92 C ATOM 1317 CZ2 TRP B 42 16.166 2.741 29.061 1.00 17.29 C ATOM 1318 CZ3 TRP B 42 14.901 3.927 27.361 1.00 18.02 C ATOM 1319 CH2 TRP B 42 15.910 3.042 27.748 1.00 18.11 C ATOM 1320 HE1 TRP B 42 16.063 2.650 31.979 1.00 0.00 H ATOM 1321 H TRP B 42 11.774 3.337 32.391 1.00 0.00 H ATOM 1322 N LYS B 43 10.548 4.990 28.856 1.00 16.21 N ATOM 1323 CA LYS B 43 10.183 4.403 27.564 1.00 18.98 C ATOM 1324 C LYS B 43 11.020 5.037 26.461 1.00 18.87 C ATOM 1325 O LYS B 43 11.582 6.123 26.620 1.00 15.60 O ATOM 1326 CB LYS B 43 8.701 4.622 27.274 1.00 24.44 C ATOM 1327 CG LYS B 43 7.771 3.735 28.088 1.00 25.26 C ATOM 1328 CD LYS B 43 6.333 4.008 27.667 1.00 27.58 C ATOM 1329 CE LYS B 43 6.057 5.505 27.616 1.00 27.66 C ATOM 1330 NZ LYS B 43 5.876 5.998 26.220 1.00 29.37 N ATOM 1331 HZ1 LYS B 43 6.740 5.810 25.672 1.00 0.00 H ATOM 1332 HZ2 LYS B 43 5.072 5.506 25.781 1.00 0.00 H ATOM 1333 HZ3 LYS B 43 5.691 7.021 26.236 1.00 0.00 H ATOM 1334 H LYS B 43 10.590 6.026 28.938 1.00 0.00 H ATOM 1335 N PRO B 44 11.164 4.365 25.337 1.00 19.52 N ATOM 1336 CA PRO B 44 12.043 4.833 24.270 1.00 20.00 C ATOM 1337 C PRO B 44 11.394 5.893 23.415 1.00 21.41 C ATOM 1338 O PRO B 44 10.199 5.783 23.150 1.00 24.48 O ATOM 1339 CB PRO B 44 12.205 3.583 23.398 1.00 21.23 C ATOM 1340 CG PRO B 44 10.909 2.825 23.599 1.00 20.52 C ATOM 1341 CD PRO B 44 10.539 3.042 25.043 1.00 19.95 C ATOM 1342 N LYS B 45 12.242 6.869 23.039 1.00 20.47 N ATOM 1343 CA LYS B 45 11.808 7.819 22.041 1.00 22.16 C ATOM 1344 C LYS B 45 12.985 8.228 21.164 1.00 20.73 C ATOM 1345 O LYS B 45 14.106 8.303 21.651 1.00 20.29 O ATOM 1346 CB LYS B 45 11.186 9.046 22.734 1.00 26.51 C ATOM 1347 CG LYS B 45 10.247 9.775 21.770 1.00 29.89 C ATOM 1348 CD LYS B 45 9.457 10.835 22.504 1.00 32.28 C ATOM 1349 CE LYS B 45 9.241 12.026 21.599 1.00 33.95 C ATOM 1350 NZ LYS B 45 7.812 12.381 21.404 1.00 39.92 N ATOM 1351 HZ1 LYS B 45 7.311 11.575 20.979 1.00 0.00 H ATOM 1352 HZ2 LYS B 45 7.384 12.610 22.324 1.00 0.00 H ATOM 1353 HZ3 LYS B 45 7.744 13.205 20.773 1.00 0.00 H ATOM 1354 H LYS B 45 13.191 6.938 23.459 1.00 0.00 H ATOM 1355 N MET B 46 12.701 8.499 19.905 1.00 20.46 N ATOM 1356 CA MET B 46 13.629 9.160 19.007 1.00 20.95 C ATOM 1357 C MET B 46 13.131 10.577 18.726 1.00 19.96 C ATOM 1358 O MET B 46 11.937 10.730 18.417 1.00 22.34 O ATOM 1359 CB MET B 46 13.809 8.412 17.692 1.00 37.34 C ATOM 1360 CG MET B 46 14.796 7.253 17.863 1.00 37.86 C ATOM 1361 SD MET B 46 15.114 6.416 16.310 1.00 90.22 S ATOM 1362 CE MET B 46 16.647 7.192 15.785 1.00 90.88 C ATOM 1363 H MET B 46 11.767 8.226 19.538 1.00 0.00 H ATOM 1364 N ILE B 47 14.097 11.493 18.858 1.00 17.31 N ATOM 1365 CA ILE B 47 13.762 12.889 18.612 1.00 15.35 C ATOM 1366 C ILE B 47 14.702 13.425 17.544 1.00 14.46 C ATOM 1367 O ILE B 47 15.849 12.997 17.482 1.00 17.00 O ATOM 1368 CB ILE B 47 13.836 13.734 19.886 1.00 16.03 C ATOM 1369 CG1 ILE B 47 15.207 13.817 20.572 1.00 15.91 C ATOM 1370 CG2 ILE B 47 12.743 13.255 20.848 1.00 15.73 C ATOM 1371 CD1 ILE B 47 15.240 14.835 21.722 1.00 18.61 C ATOM 1372 H ILE B 47 15.062 11.216 19.129 1.00 0.00 H ATOM 1373 N GLY B 48 14.206 14.329 16.708 1.00 14.23 N ATOM 1374 CA GLY B 48 15.054 14.909 15.681 1.00 14.68 C ATOM 1375 C GLY B 48 15.246 16.380 15.904 1.00 14.72 C ATOM 1376 O GLY B 48 14.417 17.064 16.502 1.00 17.93 O ATOM 1377 H GLY B 48 13.211 14.622 16.788 1.00 0.00 H ATOM 1378 N GLY B 49 16.376 16.827 15.361 1.00 14.98 N ATOM 1379 CA GLY B 49 16.650 18.263 15.352 1.00 16.71 C ATOM 1380 C GLY B 49 17.381 18.604 14.065 1.00 15.04 C ATOM 1381 O GLY B 49 17.296 17.905 13.048 1.00 17.09 O ATOM 1382 H GLY B 49 17.058 16.160 14.947 1.00 0.00 H ATOM 1383 N ILE B 50 18.107 19.710 14.141 1.00 15.56 N ATOM 1384 CA ILE B 50 18.693 20.225 12.913 1.00 15.94 C ATOM 1385 C ILE B 50 19.661 19.240 12.327 1.00 16.39 C ATOM 1386 O ILE B 50 19.877 19.139 11.113 1.00 23.17 O ATOM 1387 CB ILE B 50 19.418 21.566 13.169 1.00 18.25 C ATOM 1388 CG1 ILE B 50 19.889 22.192 11.862 1.00 24.90 C ATOM 1389 CG2 ILE B 50 20.590 21.461 14.127 1.00 20.44 C ATOM 1390 CD1 ILE B 50 18.763 22.970 11.207 1.00 35.47 C ATOM 1391 H ILE B 50 18.253 20.194 15.050 1.00 0.00 H ATOM 1392 N GLY B 51 20.331 18.481 13.204 1.00 16.03 N ATOM 1393 CA GLY B 51 21.315 17.642 12.499 1.00 17.12 C ATOM 1394 C GLY B 51 20.949 16.194 12.349 1.00 18.41 C ATOM 1395 O GLY B 51 21.812 15.435 11.902 1.00 24.50 O ATOM 1396 H GLY B 51 20.179 18.484 14.233 1.00 0.00 H ATOM 1397 N GLY B 52 19.743 15.785 12.693 1.00 18.32 N ATOM 1398 CA GLY B 52 19.289 14.410 12.571 1.00 18.53 C ATOM 1399 C GLY B 52 18.677 13.951 13.883 1.00 19.19 C ATOM 1400 O GLY B 52 18.221 14.810 14.644 1.00 19.47 O ATOM 1401 H GLY B 52 19.078 16.488 13.074 1.00 0.00 H ATOM 1402 N PHE B 53 18.669 12.648 14.134 1.00 20.15 N ATOM 1403 CA PHE B 53 17.986 11.993 15.221 1.00 19.13 C ATOM 1404 C PHE B 53 18.894 11.486 16.349 1.00 19.19 C ATOM 1405 O PHE B 53 20.034 11.090 16.068 1.00 23.65 O ATOM 1406 CB PHE B 53 17.196 10.741 14.675 1.00 24.43 C ATOM 1407 CG PHE B 53 15.980 11.329 13.957 1.00 30.45 C ATOM 1408 CD1 PHE B 53 16.099 11.727 12.640 1.00 33.54 C ATOM 1409 CD2 PHE B 53 14.782 11.510 14.626 1.00 31.02 C ATOM 1410 CE1 PHE B 53 15.028 12.325 11.990 1.00 34.98 C ATOM 1411 CE2 PHE B 53 13.704 12.083 13.978 1.00 33.54 C ATOM 1412 CZ PHE B 53 13.828 12.496 12.661 1.00 35.45 C ATOM 1413 H PHE B 53 19.208 12.041 13.484 1.00 0.00 H ATOM 1414 N ILE B 54 18.352 11.509 17.563 1.00 18.13 N ATOM 1415 CA ILE B 54 19.010 10.904 18.720 1.00 18.30 C ATOM 1416 C ILE B 54 18.000 10.049 19.503 1.00 19.49 C ATOM 1417 O ILE B 54 16.790 10.307 19.442 1.00 20.48 O ATOM 1418 CB ILE B 54 19.649 11.969 19.623 1.00 20.16 C ATOM 1419 CG1 ILE B 54 18.647 12.878 20.340 1.00 17.16 C ATOM 1420 CG2 ILE B 54 20.624 12.813 18.818 1.00 25.43 C ATOM 1421 CD1 ILE B 54 19.196 13.761 21.430 1.00 15.71 C ATOM 1422 H ILE B 54 17.430 11.972 17.694 1.00 0.00 H ATOM 1423 N LYS B 55 18.493 9.030 20.205 1.00 20.97 N ATOM 1424 CA LYS B 55 17.668 8.221 21.093 1.00 21.85 C ATOM 1425 C LYS B 55 17.618 8.885 22.456 1.00 18.89 C ATOM 1426 O LYS B 55 18.677 9.346 22.907 1.00 21.33 O ATOM 1427 CB LYS B 55 18.245 6.801 21.224 1.00 26.50 C ATOM 1428 CG LYS B 55 18.132 5.979 19.951 1.00 33.02 C ATOM 1429 CD LYS B 55 17.982 4.514 20.263 1.00 37.55 C ATOM 1430 CE LYS B 55 17.815 3.551 19.104 1.00 41.32 C ATOM 1431 NZ LYS B 55 17.819 2.116 19.561 1.00 44.40 N ATOM 1432 HZ1 LYS B 55 18.722 1.906 20.032 1.00 0.00 H ATOM 1433 HZ2 LYS B 55 17.035 1.963 20.227 1.00 0.00 H ATOM 1434 HZ3 LYS B 55 17.702 1.491 18.738 1.00 0.00 H ATOM 1435 H LYS B 55 19.504 8.803 20.116 1.00 0.00 H ATOM 1436 N VAL B 56 16.479 8.964 23.107 1.00 16.64 N ATOM 1437 CA VAL B 56 16.417 9.525 24.464 1.00 14.29 C ATOM 1438 C VAL B 56 15.605 8.595 25.352 1.00 12.88 C ATOM 1439 O VAL B 56 14.947 7.687 24.814 1.00 17.15 O ATOM 1440 CB VAL B 56 15.780 10.921 24.485 1.00 14.60 C ATOM 1441 CG1 VAL B 56 16.658 11.910 23.746 1.00 15.35 C ATOM 1442 CG2 VAL B 56 14.379 10.877 23.858 1.00 15.38 C ATOM 1443 H VAL B 56 15.607 8.624 22.654 1.00 0.00 H ATOM 1444 N ARG B 57 15.664 8.822 26.657 1.00 12.76 N ATOM 1445 CA ARG B 57 14.848 8.113 27.630 1.00 11.36 C ATOM 1446 C ARG B 57 13.686 9.018 28.037 1.00 10.45 C ATOM 1447 O ARG B 57 13.934 10.118 28.508 1.00 12.28 O ATOM 1448 CB ARG B 57 15.659 7.696 28.849 1.00 11.77 C ATOM 1449 CG ARG B 57 16.920 6.919 28.558 1.00 13.98 C ATOM 1450 CD ARG B 57 17.442 6.165 29.754 1.00 15.93 C ATOM 1451 NE ARG B 57 17.726 6.995 30.908 1.00 17.45 N ATOM 1452 CZ ARG B 57 18.822 7.722 31.100 1.00 18.39 C ATOM 1453 NH1 ARG B 57 19.815 7.776 30.211 1.00 24.04 N ATOM 1454 NH2 ARG B 57 18.972 8.447 32.217 1.00 23.28 N ATOM 1455 HE ARG B 57 17.004 7.024 31.656 1.00 0.00 H ATOM 1456 HH12 ARG B 57 20.654 8.359 30.404 1.00 0.00 H ATOM 1457 HH11 ARG B 57 19.750 7.235 29.325 1.00 0.00 H ATOM 1458 HH22 ARG B 57 19.833 9.013 32.358 1.00 0.00 H ATOM 1459 HH21 ARG B 57 18.227 8.444 32.943 1.00 0.00 H ATOM 1460 H ARG B 57 16.328 9.544 27.003 1.00 0.00 H ATOM 1461 N GLN B 58 12.445 8.538 27.875 1.00 9.91 N ATOM 1462 CA GLN B 58 11.270 9.345 28.216 1.00 10.85 C ATOM 1463 C GLN B 58 10.736 8.987 29.597 1.00 10.94 C ATOM 1464 O GLN B 58 10.374 7.806 29.823 1.00 14.81 O ATOM 1465 CB GLN B 58 10.143 9.130 27.197 1.00 12.71 C ATOM 1466 CG GLN B 58 8.844 9.792 27.653 1.00 13.95 C ATOM 1467 CD GLN B 58 7.750 9.733 26.618 1.00 16.48 C ATOM 1468 OE1 GLN B 58 7.963 9.637 25.414 1.00 22.89 O ATOM 1469 NE2 GLN B 58 6.498 9.799 27.046 1.00 23.34 N ATOM 1470 HE22 GLN B 58 6.300 9.881 28.064 1.00 0.00 H ATOM 1471 HE21 GLN B 58 5.713 9.769 26.364 1.00 0.00 H ATOM 1472 H GLN B 58 12.314 7.577 27.501 1.00 0.00 H ATOM 1473 N TYR B 59 10.644 9.919 30.517 1.00 11.99 N ATOM 1474 CA TYR B 59 10.177 9.810 31.882 1.00 11.92 C ATOM 1475 C TYR B 59 8.910 10.637 31.994 1.00 12.77 C ATOM 1476 O TYR B 59 8.915 11.846 31.673 1.00 13.60 O ATOM 1477 CB TYR B 59 11.225 10.309 32.892 1.00 11.92 C ATOM 1478 CG TYR B 59 12.482 9.471 33.005 1.00 11.91 C ATOM 1479 CD1 TYR B 59 13.565 9.682 32.156 1.00 12.92 C ATOM 1480 CD2 TYR B 59 12.587 8.452 33.963 1.00 13.13 C ATOM 1481 CE1 TYR B 59 14.721 8.922 32.247 1.00 14.18 C ATOM 1482 CE2 TYR B 59 13.733 7.698 34.054 1.00 13.38 C ATOM 1483 CZ TYR B 59 14.801 7.925 33.203 1.00 14.99 C ATOM 1484 OH TYR B 59 15.941 7.144 33.313 1.00 18.55 O ATOM 1485 HH TYR B 59 15.705 6.195 33.161 1.00 0.00 H ATOM 1486 H TYR B 59 10.950 10.869 30.223 1.00 0.00 H ATOM 1487 N ASP B 60 7.822 10.040 32.456 1.00 15.58 N ATOM 1488 CA ASP B 60 6.608 10.858 32.590 1.00 17.76 C ATOM 1489 C ASP B 60 6.376 11.354 34.007 1.00 17.67 C ATOM 1490 O ASP B 60 6.895 10.734 34.949 1.00 18.90 O ATOM 1491 CB ASP B 60 5.443 9.963 32.150 1.00 21.53 C ATOM 1492 CG ASP B 60 5.585 9.581 30.691 1.00 22.90 C ATOM 1493 OD1 ASP B 60 6.159 10.338 29.888 1.00 27.24 O ATOM 1494 OD2 ASP B 60 5.091 8.517 30.266 1.00 30.00 O ATOM 1495 H ASP B 60 7.826 9.032 32.714 1.00 0.00 H ATOM 1496 N GLN B 61 5.606 12.431 34.169 1.00 15.99 N ATOM 1497 CA GLN B 61 5.093 12.945 35.442 1.00 17.03 C ATOM 1498 C GLN B 61 6.240 13.260 36.399 1.00 15.32 C ATOM 1499 O GLN B 61 6.249 12.889 37.571 1.00 19.93 O ATOM 1500 CB GLN B 61 4.095 11.971 36.079 1.00 18.18 C ATOM 1501 CG GLN B 61 2.768 12.573 36.521 1.00 23.14 C ATOM 1502 CD GLN B 61 1.829 11.515 37.066 1.00 23.94 C ATOM 1503 OE1 GLN B 61 1.598 10.541 36.336 1.00 30.08 O ATOM 1504 NE2 GLN B 61 1.279 11.603 38.270 1.00 25.66 N ATOM 1505 HE22 GLN B 61 1.480 12.425 38.875 1.00 0.00 H ATOM 1506 HE21 GLN B 61 0.647 10.850 38.609 1.00 0.00 H ATOM 1507 H GLN B 61 5.345 12.956 33.310 1.00 0.00 H ATOM 1508 N ILE B 62 7.234 13.965 35.862 1.00 12.67 N ATOM 1509 CA ILE B 62 8.402 14.355 36.641 1.00 11.63 C ATOM 1510 C ILE B 62 8.170 15.770 37.159 1.00 11.90 C ATOM 1511 O ILE B 62 7.758 16.675 36.426 1.00 12.59 O ATOM 1512 CB ILE B 62 9.682 14.334 35.779 1.00 11.88 C ATOM 1513 CG1 ILE B 62 10.005 12.925 35.267 1.00 14.60 C ATOM 1514 CG2 ILE B 62 10.878 14.978 36.488 1.00 14.45 C ATOM 1515 CD1 ILE B 62 10.411 11.904 36.309 1.00 15.26 C ATOM 1516 H ILE B 62 7.175 14.244 34.862 1.00 0.00 H ATOM 1517 N ILE B 63 8.465 15.947 38.449 1.00 13.47 N ATOM 1518 CA ILE B 63 8.327 17.291 39.023 1.00 12.57 C ATOM 1519 C ILE B 63 9.537 18.141 38.683 1.00 12.83 C ATOM 1520 O ILE B 63 10.685 17.721 38.875 1.00 15.70 O ATOM 1521 CB ILE B 63 8.150 17.180 40.541 1.00 15.58 C ATOM 1522 CG1 ILE B 63 6.970 16.267 40.935 1.00 18.71 C ATOM 1523 CG2 ILE B 63 8.026 18.571 41.139 1.00 24.48 C ATOM 1524 CD1 ILE B 63 6.970 15.819 42.383 1.00 26.21 C ATOM 1525 H ILE B 63 8.786 15.150 39.035 1.00 0.00 H ATOM 1526 N ILE B 64 9.253 19.357 38.177 1.00 12.58 N ATOM 1527 CA ILE B 64 10.331 20.240 37.763 1.00 14.22 C ATOM 1528 C ILE B 64 9.882 21.665 38.025 1.00 14.56 C ATOM 1529 O ILE B 64 8.737 22.034 37.789 1.00 22.35 O ATOM 1530 CB ILE B 64 10.693 20.040 36.278 1.00 15.11 C ATOM 1531 CG1 ILE B 64 11.702 21.047 35.685 1.00 16.64 C ATOM 1532 CG2 ILE B 64 9.431 20.009 35.415 1.00 20.56 C ATOM 1533 CD1 ILE B 64 12.186 20.665 34.288 1.00 16.68 C ATOM 1534 H ILE B 64 8.264 19.664 38.083 1.00 0.00 H ATOM 1535 N GLU B 65 10.772 22.512 38.521 1.00 12.76 N ATOM 1536 CA GLU B 65 10.512 23.936 38.681 1.00 12.37 C ATOM 1537 C GLU B 65 11.261 24.678 37.582 1.00 12.67 C ATOM 1538 O GLU B 65 12.444 24.367 37.363 1.00 15.42 O ATOM 1539 CB GLU B 65 10.937 24.438 40.063 1.00 15.81 C ATOM 1540 CG GLU B 65 10.394 25.811 40.422 1.00 17.71 C ATOM 1541 CD GLU B 65 10.839 26.353 41.760 1.00 21.07 C ATOM 1542 OE1 GLU B 65 11.969 26.852 41.932 1.00 26.59 O ATOM 1543 OE2 GLU B 65 10.031 26.299 42.724 1.00 27.01 O ATOM 1544 H GLU B 65 11.700 22.142 38.810 1.00 0.00 H ATOM 1545 N ILE B 66 10.610 25.621 36.924 1.00 13.17 N ATOM 1546 CA ILE B 66 11.204 26.371 35.823 1.00 12.37 C ATOM 1547 C ILE B 66 11.088 27.851 36.154 1.00 13.02 C ATOM 1548 O ILE B 66 9.982 28.351 36.224 1.00 14.75 O ATOM 1549 CB ILE B 66 10.492 26.053 34.486 1.00 13.53 C ATOM 1550 CG1 ILE B 66 10.523 24.560 34.169 1.00 15.18 C ATOM 1551 CG2 ILE B 66 11.071 26.909 33.364 1.00 14.22 C ATOM 1552 CD1 ILE B 66 9.531 24.043 33.163 1.00 17.86 C ATOM 1553 H ILE B 66 9.632 25.838 37.203 1.00 0.00 H ATOM 1554 N ALA B 67 12.207 28.504 36.386 1.00 14.11 N ATOM 1555 CA ALA B 67 12.195 29.927 36.735 1.00 16.17 C ATOM 1556 C ALA B 67 11.225 30.188 37.885 1.00 17.44 C ATOM 1557 O ALA B 67 10.511 31.181 37.980 1.00 22.24 O ATOM 1558 CB ALA B 67 11.923 30.763 35.492 1.00 20.22 C ATOM 1559 H ALA B 67 13.115 28.001 36.320 1.00 0.00 H ATOM 1560 N GLY B 68 11.179 29.241 38.811 1.00 17.53 N ATOM 1561 CA GLY B 68 10.317 29.440 39.971 1.00 18.53 C ATOM 1562 C GLY B 68 8.890 28.925 39.785 1.00 18.40 C ATOM 1563 O GLY B 68 8.108 28.915 40.742 1.00 22.53 O ATOM 1564 H GLY B 68 11.745 28.374 38.713 1.00 0.00 H ATOM 1565 N HIS B 69 8.523 28.497 38.589 1.00 17.42 N ATOM 1566 CA HIS B 69 7.176 28.018 38.302 1.00 16.76 C ATOM 1567 C HIS B 69 7.140 26.491 38.301 1.00 16.50 C ATOM 1568 O HIS B 69 7.922 25.852 37.630 1.00 15.77 O ATOM 1569 CB HIS B 69 6.647 28.470 36.943 1.00 17.69 C ATOM 1570 CG HIS B 69 6.424 29.934 36.852 1.00 21.64 C ATOM 1571 ND1 HIS B 69 5.185 30.501 36.935 1.00 24.53 N ATOM 1572 CD2 HIS B 69 7.296 30.948 36.701 1.00 24.65 C ATOM 1573 CE1 HIS B 69 5.313 31.816 36.830 1.00 26.84 C ATOM 1574 NE2 HIS B 69 6.592 32.129 36.684 1.00 27.22 N ATOM 1575 H HIS B 69 9.224 28.502 37.821 1.00 0.00 H ATOM 1576 N LYS B 70 6.188 25.921 39.043 1.00 18.51 N ATOM 1577 CA LYS B 70 6.148 24.462 39.148 1.00 19.51 C ATOM 1578 C LYS B 70 5.399 23.840 37.968 1.00 17.35 C ATOM 1579 O LYS B 70 4.341 24.300 37.507 1.00 21.25 O ATOM 1580 CB LYS B 70 5.530 24.061 40.495 1.00 26.46 C ATOM 1581 CG LYS B 70 5.696 22.581 40.835 1.00 32.97 C ATOM 1582 CD LYS B 70 4.742 22.111 41.922 1.00 37.36 C ATOM 1583 CE LYS B 70 3.984 20.843 41.551 1.00 38.73 C ATOM 1584 NZ LYS B 70 3.887 19.855 42.673 1.00 46.01 N ATOM 1585 HZ1 LYS B 70 4.843 19.572 42.968 1.00 0.00 H ATOM 1586 HZ2 LYS B 70 3.391 20.292 43.476 1.00 0.00 H ATOM 1587 HZ3 LYS B 70 3.360 19.018 42.352 1.00 0.00 H ATOM 1588 H LYS B 70 5.485 26.505 39.539 1.00 0.00 H ATOM 1589 N ALA B 71 6.006 22.757 37.481 1.00 14.38 N ATOM 1590 CA ALA B 71 5.434 21.952 36.405 1.00 12.83 C ATOM 1591 C ALA B 71 5.549 20.490 36.769 1.00 12.01 C ATOM 1592 O ALA B 71 6.389 20.141 37.593 1.00 12.85 O ATOM 1593 CB ALA B 71 6.105 22.200 35.070 1.00 15.10 C ATOM 1594 H ALA B 71 6.923 22.475 37.883 1.00 0.00 H ATOM 1595 N ILE B 72 4.719 19.648 36.184 1.00 11.08 N ATOM 1596 CA ILE B 72 4.838 18.203 36.401 1.00 11.17 C ATOM 1597 C ILE B 72 4.521 17.584 35.028 1.00 10.50 C ATOM 1598 O ILE B 72 3.390 17.737 34.557 1.00 13.25 O ATOM 1599 CB ILE B 72 3.925 17.632 37.487 1.00 11.65 C ATOM 1600 CG1 ILE B 72 3.995 18.403 38.806 1.00 11.71 C ATOM 1601 CG2 ILE B 72 4.244 16.140 37.676 1.00 14.22 C ATOM 1602 CD1 ILE B 72 3.040 17.852 39.859 1.00 14.76 C ATOM 1603 H ILE B 72 3.971 20.014 35.561 1.00 0.00 H ATOM 1604 N GLY B 73 5.535 16.955 34.418 1.00 10.64 N ATOM 1605 CA GLY B 73 5.320 16.492 33.071 1.00 11.15 C ATOM 1606 C GLY B 73 6.449 15.642 32.534 1.00 10.21 C ATOM 1607 O GLY B 73 7.306 15.173 33.282 1.00 12.33 O ATOM 1608 H GLY B 73 6.445 16.806 34.900 1.00 0.00 H ATOM 1609 N THR B 74 6.424 15.462 31.210 1.00 11.32 N ATOM 1610 CA THR B 74 7.388 14.550 30.591 1.00 11.41 C ATOM 1611 C THR B 74 8.742 15.193 30.340 1.00 10.43 C ATOM 1612 O THR B 74 8.827 16.328 29.846 1.00 12.38 O ATOM 1613 CB THR B 74 6.819 14.062 29.245 1.00 13.61 C ATOM 1614 OG1 THR B 74 5.607 13.355 29.536 1.00 17.60 O ATOM 1615 CG2 THR B 74 7.784 13.096 28.582 1.00 16.03 C ATOM 1616 HG1 THR B 74 4.970 13.965 29.986 1.00 0.00 H ATOM 1617 H THR B 74 5.727 15.965 30.625 1.00 0.00 H ATOM 1618 N VAL B 75 9.781 14.462 30.720 1.00 10.75 N ATOM 1619 CA VAL B 75 11.152 14.913 30.529 1.00 10.43 C ATOM 1620 C VAL B 75 11.877 13.836 29.750 1.00 9.69 C ATOM 1621 O VAL B 75 11.761 12.636 30.073 1.00 13.77 O ATOM 1622 CB VAL B 75 11.835 15.173 31.884 1.00 11.66 C ATOM 1623 CG1 VAL B 75 13.299 15.523 31.689 1.00 14.42 C ATOM 1624 CG2 VAL B 75 11.102 16.299 32.603 1.00 14.66 C ATOM 1625 H VAL B 75 9.611 13.539 31.168 1.00 0.00 H ATOM 1626 N LEU B 76 12.602 14.232 28.711 1.00 10.00 N ATOM 1627 CA LEU B 76 13.403 13.335 27.908 1.00 10.20 C ATOM 1628 C LEU B 76 14.849 13.516 28.354 1.00 11.02 C ATOM 1629 O LEU B 76 15.306 14.638 28.560 1.00 14.56 O ATOM 1630 CB LEU B 76 13.254 13.656 26.417 1.00 9.93 C ATOM 1631 CG LEU B 76 11.808 13.675 25.888 1.00 9.83 C ATOM 1632 CD1 LEU B 76 11.784 14.008 24.408 1.00 12.24 C ATOM 1633 CD2 LEU B 76 11.077 12.356 26.141 1.00 12.40 C ATOM 1634 H LEU B 76 12.593 15.241 28.461 1.00 0.00 H ATOM 1635 N VAL B 77 15.558 12.414 28.496 1.00 10.62 N ATOM 1636 CA VAL B 77 16.969 12.462 28.908 1.00 11.14 C ATOM 1637 C VAL B 77 17.843 11.861 27.820 1.00 12.37 C ATOM 1638 O VAL B 77 17.613 10.731 27.375 1.00 12.64 O ATOM 1639 CB VAL B 77 17.179 11.685 30.224 1.00 13.12 C ATOM 1640 CG1 VAL B 77 18.643 11.685 30.648 1.00 15.35 C ATOM 1641 CG2 VAL B 77 16.268 12.250 31.321 1.00 12.90 C ATOM 1642 H VAL B 77 15.111 11.493 28.313 1.00 0.00 H ATOM 1643 N GLY B 78 18.853 12.644 27.393 1.00 14.32 N ATOM 1644 CA GLY B 78 19.708 12.099 26.320 1.00 15.31 C ATOM 1645 C GLY B 78 20.794 13.098 25.954 1.00 16.01 C ATOM 1646 O GLY B 78 20.948 14.127 26.603 1.00 16.20 O ATOM 1647 H GLY B 78 19.022 13.586 27.799 1.00 0.00 H ATOM 1648 N PRO B 79 21.537 12.741 24.905 1.00 18.76 N ATOM 1649 CA PRO B 79 22.685 13.549 24.481 1.00 19.93 C ATOM 1650 C PRO B 79 22.325 14.834 23.759 1.00 21.17 C ATOM 1651 O PRO B 79 22.726 15.071 22.624 1.00 23.15 O ATOM 1652 CB PRO B 79 23.432 12.614 23.521 1.00 20.41 C ATOM 1653 CG PRO B 79 22.357 11.715 23.001 1.00 21.32 C ATOM 1654 CD PRO B 79 21.374 11.505 24.110 1.00 19.35 C ATOM 1655 N THR B 80 21.584 15.703 24.430 1.00 20.07 N ATOM 1656 CA THR B 80 21.318 17.050 23.908 1.00 18.15 C ATOM 1657 C THR B 80 22.506 17.972 24.163 1.00 17.29 C ATOM 1658 O THR B 80 23.197 17.852 25.193 1.00 19.48 O ATOM 1659 CB THR B 80 20.022 17.615 24.535 1.00 16.71 C ATOM 1660 OG1 THR B 80 19.819 18.951 24.032 1.00 17.30 O ATOM 1661 CG2 THR B 80 20.109 17.711 26.049 1.00 19.54 C ATOM 1662 HG1 THR B 80 20.592 19.517 24.282 1.00 0.00 H ATOM 1663 H THR B 80 21.181 15.425 25.348 1.00 0.00 H ATOM 1664 N PRO B 81 22.823 18.915 23.264 1.00 16.81 N ATOM 1665 CA PRO B 81 23.920 19.836 23.543 1.00 17.30 C ATOM 1666 C PRO B 81 23.667 20.816 24.684 1.00 16.48 C ATOM 1667 O PRO B 81 24.624 21.354 25.226 1.00 21.30 O ATOM 1668 CB PRO B 81 24.065 20.697 22.280 1.00 19.16 C ATOM 1669 CG PRO B 81 23.000 20.264 21.349 1.00 20.29 C ATOM 1670 CD PRO B 81 22.218 19.124 21.942 1.00 17.91 C ATOM 1671 N VAL B 82 22.407 21.055 25.015 1.00 17.16 N ATOM 1672 CA VAL B 82 21.971 22.024 26.016 1.00 16.74 C ATOM 1673 C VAL B 82 20.650 21.579 26.606 1.00 13.75 C ATOM 1674 O VAL B 82 19.893 20.963 25.840 1.00 16.29 O ATOM 1675 CB VAL B 82 21.869 23.435 25.412 1.00 17.61 C ATOM 1676 CG1 VAL B 82 20.697 23.488 24.454 1.00 16.01 C ATOM 1677 CG2 VAL B 82 21.759 24.511 26.477 1.00 18.38 C ATOM 1678 H VAL B 82 21.671 20.510 24.523 1.00 0.00 H ATOM 1679 N ASN B 83 20.367 21.819 27.873 1.00 12.10 N ATOM 1680 CA ASN B 83 19.061 21.499 28.431 1.00 9.69 C ATOM 1681 C ASN B 83 18.013 22.386 27.788 1.00 8.36 C ATOM 1682 O ASN B 83 18.263 23.592 27.783 1.00 11.19 O ATOM 1683 CB ASN B 83 19.029 21.716 29.951 1.00 11.40 C ATOM 1684 CG ASN B 83 20.015 20.825 30.690 1.00 12.04 C ATOM 1685 OD1 ASN B 83 20.217 19.674 30.251 1.00 16.91 O ATOM 1686 ND2 ASN B 83 20.617 21.334 31.769 1.00 13.76 N ATOM 1687 HD22 ASN B 83 20.399 22.303 32.077 1.00 0.00 H ATOM 1688 HD21 ASN B 83 21.303 20.761 32.300 1.00 0.00 H ATOM 1689 H ASN B 83 21.092 22.245 28.485 1.00 0.00 H ATOM 1690 N ILE B 84 16.913 21.817 27.285 1.00 7.76 N ATOM 1691 CA ILE B 84 15.892 22.651 26.652 1.00 8.14 C ATOM 1692 C ILE B 84 14.532 22.413 27.269 1.00 7.51 C ATOM 1693 O ILE B 84 14.120 21.270 27.505 1.00 10.03 O ATOM 1694 CB ILE B 84 15.801 22.542 25.125 1.00 9.66 C ATOM 1695 CG1 ILE B 84 15.684 21.111 24.603 1.00 9.93 C ATOM 1696 CG2 ILE B 84 16.960 23.268 24.450 1.00 8.80 C ATOM 1697 CD1 ILE B 84 15.654 21.083 23.083 1.00 11.91 C ATOM 1698 H ILE B 84 16.784 20.787 27.343 1.00 0.00 H ATOM 1699 N ILE B 85 13.812 23.503 27.534 1.00 8.34 N ATOM 1700 CA ILE B 85 12.433 23.408 27.973 1.00 8.69 C ATOM 1701 C ILE B 85 11.551 23.627 26.762 1.00 8.78 C ATOM 1702 O ILE B 85 11.572 24.728 26.191 1.00 12.09 O ATOM 1703 CB ILE B 85 12.147 24.475 29.047 1.00 9.12 C ATOM 1704 CG1 ILE B 85 13.141 24.401 30.212 1.00 10.79 C ATOM 1705 CG2 ILE B 85 10.675 24.334 29.451 1.00 12.96 C ATOM 1706 CD1 ILE B 85 13.225 23.005 30.831 1.00 14.38 C ATOM 1707 H ILE B 85 14.248 24.441 27.424 1.00 0.00 H ATOM 1708 N GLY B 86 10.791 22.655 26.326 1.00 9.13 N ATOM 1709 CA GLY B 86 9.960 22.742 25.142 1.00 10.01 C ATOM 1710 C GLY B 86 8.512 23.024 25.459 1.00 8.71 C ATOM 1711 O GLY B 86 8.164 23.269 26.619 1.00 9.69 O ATOM 1712 H GLY B 86 10.783 21.764 26.863 1.00 0.00 H ATOM 1713 N ARG B 87 7.686 22.966 24.404 1.00 8.70 N ATOM 1714 CA ARG B 87 6.326 23.460 24.580 1.00 9.86 C ATOM 1715 C ARG B 87 5.530 22.663 25.590 1.00 9.64 C ATOM 1716 O ARG B 87 4.590 23.210 26.209 1.00 10.91 O ATOM 1717 CB ARG B 87 5.595 23.509 23.210 1.00 11.81 C ATOM 1718 CG ARG B 87 6.260 24.550 22.288 1.00 11.43 C ATOM 1719 CD ARG B 87 5.482 24.738 20.973 1.00 12.17 C ATOM 1720 NE ARG B 87 5.438 23.459 20.267 1.00 13.37 N ATOM 1721 CZ ARG B 87 4.444 22.574 20.260 1.00 14.78 C ATOM 1722 NH1 ARG B 87 3.309 22.793 20.921 1.00 12.93 N ATOM 1723 NH2 ARG B 87 4.595 21.441 19.558 1.00 14.48 N ATOM 1724 HE ARG B 87 6.279 23.213 19.707 1.00 0.00 H ATOM 1725 HH12 ARG B 87 2.549 22.084 20.898 1.00 0.00 H ATOM 1726 HH11 ARG B 87 3.183 23.673 21.460 1.00 0.00 H ATOM 1727 HH22 ARG B 87 3.831 20.736 19.539 1.00 0.00 H ATOM 1728 HH21 ARG B 87 5.476 21.268 19.033 1.00 0.00 H ATOM 1729 H ARG B 87 8.005 22.582 23.492 1.00 0.00 H ATOM 1730 N ASN B 88 5.846 21.375 25.766 1.00 9.73 N ATOM 1731 CA ASN B 88 5.041 20.624 26.752 1.00 10.90 C ATOM 1732 C ASN B 88 5.095 21.250 28.137 1.00 11.84 C ATOM 1733 O ASN B 88 4.089 21.190 28.867 1.00 15.48 O ATOM 1734 CB ASN B 88 5.519 19.173 26.756 1.00 12.07 C ATOM 1735 CG ASN B 88 6.842 18.943 27.468 1.00 12.19 C ATOM 1736 OD1 ASN B 88 7.853 19.571 27.115 1.00 11.48 O ATOM 1737 ND2 ASN B 88 6.809 18.035 28.457 1.00 13.26 N ATOM 1738 HD22 ASN B 88 5.918 17.552 28.690 1.00 0.00 H ATOM 1739 HD21 ASN B 88 7.675 17.815 28.990 1.00 0.00 H ATOM 1740 H ASN B 88 6.619 20.925 25.236 1.00 0.00 H ATOM 1741 N LEU B 89 6.223 21.873 28.522 1.00 11.13 N ATOM 1742 CA LEU B 89 6.262 22.462 29.861 1.00 11.21 C ATOM 1743 C LEU B 89 6.082 23.974 29.788 1.00 10.94 C ATOM 1744 O LEU B 89 5.627 24.581 30.746 1.00 12.18 O ATOM 1745 CB LEU B 89 7.538 22.122 30.638 1.00 12.09 C ATOM 1746 CG LEU B 89 7.733 20.616 30.866 1.00 12.01 C ATOM 1747 CD1 LEU B 89 9.018 20.359 31.626 1.00 14.59 C ATOM 1748 CD2 LEU B 89 6.533 20.006 31.600 1.00 14.90 C ATOM 1749 H LEU B 89 7.044 21.934 27.886 1.00 0.00 H ATOM 1750 N LEU B 90 6.447 24.597 28.658 1.00 10.67 N ATOM 1751 CA LEU B 90 6.165 26.031 28.527 1.00 10.50 C ATOM 1752 C LEU B 90 4.662 26.270 28.640 1.00 10.50 C ATOM 1753 O LEU B 90 4.238 27.283 29.198 1.00 13.37 O ATOM 1754 CB LEU B 90 6.678 26.563 27.187 1.00 11.37 C ATOM 1755 CG LEU B 90 8.194 26.499 26.996 1.00 11.40 C ATOM 1756 CD1 LEU B 90 8.545 26.849 25.549 1.00 13.11 C ATOM 1757 CD2 LEU B 90 8.881 27.431 27.980 1.00 14.69 C ATOM 1758 H LEU B 90 6.919 24.076 27.892 1.00 0.00 H ATOM 1759 N THR B 91 3.811 25.373 28.126 1.00 11.32 N ATOM 1760 CA THR B 91 2.386 25.618 28.317 1.00 12.53 C ATOM 1761 C THR B 91 2.006 25.493 29.778 1.00 13.68 C ATOM 1762 O THR B 91 1.091 26.165 30.298 1.00 17.89 O ATOM 1763 CB THR B 91 1.531 24.632 27.483 1.00 14.20 C ATOM 1764 OG1 THR B 91 1.964 23.287 27.734 1.00 15.48 O ATOM 1765 CG2 THR B 91 1.693 24.878 25.982 1.00 13.96 C ATOM 1766 HG1 THR B 91 2.916 23.195 27.478 1.00 0.00 H ATOM 1767 H THR B 91 4.152 24.536 27.612 1.00 0.00 H ATOM 1768 N GLN B 92 2.658 24.607 30.523 1.00 13.49 N ATOM 1769 CA GLN B 92 2.267 24.498 31.938 1.00 14.58 C ATOM 1770 C GLN B 92 2.599 25.744 32.729 1.00 16.45 C ATOM 1771 O GLN B 92 1.997 26.053 33.762 1.00 21.61 O ATOM 1772 CB GLN B 92 3.003 23.322 32.597 1.00 14.91 C ATOM 1773 CG GLN B 92 2.483 21.985 32.067 1.00 15.30 C ATOM 1774 CD GLN B 92 2.796 20.875 33.056 1.00 13.78 C ATOM 1775 OE1 GLN B 92 3.052 21.121 34.240 1.00 15.02 O ATOM 1776 NE2 GLN B 92 2.778 19.645 32.547 1.00 14.39 N ATOM 1777 HE22 GLN B 92 2.555 19.502 31.541 1.00 0.00 H ATOM 1778 HE21 GLN B 92 2.987 18.828 33.155 1.00 0.00 H ATOM 1779 H GLN B 92 3.414 24.015 30.123 1.00 0.00 H ATOM 1780 N ILE B 93 3.604 26.524 32.297 1.00 16.49 N ATOM 1781 CA ILE B 93 3.925 27.729 33.078 1.00 17.20 C ATOM 1782 C ILE B 93 3.305 28.993 32.475 1.00 19.44 C ATOM 1783 O ILE B 93 3.591 30.098 32.984 1.00 22.04 O ATOM 1784 CB ILE B 93 5.439 27.912 33.233 1.00 17.57 C ATOM 1785 CG1 ILE B 93 6.170 28.239 31.931 1.00 18.51 C ATOM 1786 CG2 ILE B 93 6.092 26.687 33.880 1.00 18.51 C ATOM 1787 CD1 ILE B 93 7.670 28.408 32.153 1.00 20.07 C ATOM 1788 H ILE B 93 4.138 26.284 31.438 1.00 0.00 H ATOM 1789 N GLY B 94 2.480 28.798 31.444 1.00 18.20 N ATOM 1790 CA GLY B 94 1.611 29.828 30.862 1.00 18.16 C ATOM 1791 C GLY B 94 2.418 30.690 29.922 1.00 18.92 C ATOM 1792 O GLY B 94 2.051 31.849 29.741 1.00 23.20 O ATOM 1793 H GLY B 94 2.451 27.848 31.023 1.00 0.00 H ATOM 1794 N ALA B 95 3.509 30.165 29.338 1.00 17.64 N ATOM 1795 CA ALA B 95 4.303 31.012 28.439 1.00 17.41 C ATOM 1796 C ALA B 95 3.660 31.231 27.068 1.00 18.22 C ATOM 1797 O ALA B 95 3.020 30.345 26.479 1.00 20.37 O ATOM 1798 CB ALA B 95 5.683 30.402 28.254 1.00 15.76 C ATOM 1799 H ALA B 95 3.785 29.179 29.519 1.00 0.00 H ATOM 1800 N THR B 96 3.852 32.434 26.553 1.00 17.87 N ATOM 1801 CA THR B 96 3.384 32.875 25.253 1.00 18.14 C ATOM 1802 C THR B 96 4.489 33.673 24.553 1.00 17.71 C ATOM 1803 O THR B 96 5.372 34.266 25.200 1.00 18.92 O ATOM 1804 CB THR B 96 2.114 33.771 25.265 1.00 20.03 C ATOM 1805 OG1 THR B 96 2.299 34.985 26.019 1.00 21.41 O ATOM 1806 CG2 THR B 96 0.950 33.037 25.922 1.00 22.15 C ATOM 1807 HG1 THR B 96 2.521 34.759 26.957 1.00 0.00 H ATOM 1808 H THR B 96 4.382 33.120 27.127 1.00 0.00 H ATOM 1809 N LEU B 97 4.432 33.673 23.225 1.00 17.10 N ATOM 1810 CA LEU B 97 5.278 34.554 22.415 1.00 16.60 C ATOM 1811 C LEU B 97 4.444 35.753 22.021 1.00 18.69 C ATOM 1812 O LEU B 97 3.258 35.604 21.681 1.00 20.47 O ATOM 1813 CB LEU B 97 5.836 33.743 21.259 1.00 17.97 C ATOM 1814 CG LEU B 97 7.016 34.179 20.411 1.00 17.45 C ATOM 1815 CD1 LEU B 97 8.234 34.459 21.259 1.00 15.86 C ATOM 1816 CD2 LEU B 97 7.325 33.083 19.388 1.00 18.35 C ATOM 1817 H LEU B 97 3.769 33.030 22.747 1.00 0.00 H ATOM 1818 N ASN B 98 5.047 36.927 22.109 1.00 18.60 N ATOM 1819 CA ASN B 98 4.286 38.132 21.811 1.00 19.85 C ATOM 1820 C ASN B 98 5.092 39.041 20.897 1.00 21.22 C ATOM 1821 O ASN B 98 6.293 39.196 21.080 1.00 20.49 O ATOM 1822 CB ASN B 98 3.916 38.851 23.117 1.00 19.84 C ATOM 1823 CG ASN B 98 3.009 38.025 23.996 1.00 21.73 C ATOM 1824 OD1 ASN B 98 1.807 38.239 24.080 1.00 30.67 O ATOM 1825 ND2 ASN B 98 3.580 37.063 24.668 1.00 20.24 N ATOM 1826 HD22 ASN B 98 4.604 36.903 24.578 1.00 0.00 H ATOM 1827 HD21 ASN B 98 3.011 36.457 25.293 1.00 0.00 H ATOM 1828 H ASN B 98 6.047 36.988 22.386 1.00 0.00 H ATOM 1829 N PHE B 99 4.436 39.652 19.922 1.00 25.73 N ATOM 1830 CA PHE B 99 5.075 40.721 19.149 1.00 28.76 C ATOM 1831 C PHE B 99 3.987 41.633 18.580 1.00 32.91 C ATOM 1832 O PHE B 99 4.276 42.443 17.690 1.00 37.90 O ATOM 1833 CB PHE B 99 6.000 40.194 18.067 1.00 29.32 C ATOM 1834 CG PHE B 99 5.418 39.207 17.077 1.00 31.35 C ATOM 1835 CD1 PHE B 99 5.356 37.853 17.369 1.00 32.58 C ATOM 1836 CD2 PHE B 99 4.944 39.647 15.847 1.00 31.59 C ATOM 1837 CE1 PHE B 99 4.825 36.971 16.442 1.00 33.33 C ATOM 1838 CE2 PHE B 99 4.409 38.765 14.925 1.00 32.10 C ATOM 1839 CZ PHE B 99 4.357 37.410 15.217 1.00 32.95 C ATOM 1840 OXT PHE B 99 2.832 41.528 19.076 1.00 39.90 O ATOM 1841 H PHE B 99 3.459 39.371 19.703 1.00 0.00 H TER 1842 PHE B 99 HETATM 1843 NA NA A 1 24.466 39.865 1.325 1.00 18.47 NA HETATM 1844 O HOH 2 24.119 34.778 -4.579 1.00 30.40 O HETATM 1845 O HOH 3 2.644 32.363 33.867 1.00 33.48 O HETATM 1846 O HOH 4 22.732 34.582 12.608 1.00 24.18 O HETATM 1847 O HOH 5 14.498 38.569 0.648 1.00 24.72 O HETATM 1848 O HOH 6 -3.859 34.182 23.948 1.00 38.10 O HETATM 1849 O HOH 7 1.655 28.256 18.521 1.00 33.18 O HETATM 1850 O HOH 8 -1.391 27.532 20.360 1.00 26.38 O HETATM 1851 O HOH 9 15.600 20.827 3.821 1.00 31.54 O HETATM 1852 O HOH 10 20.020 17.668 6.864 1.00 31.08 O HETATM 1853 O HOH 11 20.930 33.652 10.584 1.00 14.46 O HETATM 1854 O HOH 12 23.241 40.582 7.999 1.00 22.07 O HETATM 1855 O HOH 13 13.354 40.439 21.629 1.00 17.12 O HETATM 1856 O HOH 14 21.281 35.687 17.741 1.00 33.34 O HETATM 1857 O HOH 15 24.439 15.817 11.118 1.00 30.28 O HETATM 1858 O HOH 16 15.549 44.872 11.121 1.00 16.25 O HETATM 1859 O HOH 17 33.476 30.407 6.289 1.00 31.19 O HETATM 1860 O HOH 18 20.386 28.777 21.150 1.00 14.95 O HETATM 1861 O HOH 19 18.601 30.810 21.735 1.00 12.41 O HETATM 1862 O HOH 20 26.116 38.335 2.107 1.00 22.78 O HETATM 1863 O HOH 21 28.312 35.980 4.387 1.00 26.06 O HETATM 1864 O HOH 22 24.141 37.909 0.428 1.00 23.16 O HETATM 1865 O HOH 23 21.887 31.378 -4.139 1.00 34.64 O HETATM 1866 O HOH 24 13.003 42.853 20.577 1.00 23.69 O HETATM 1867 O HOH 25 10.371 40.169 1.548 1.00 37.65 O HETATM 1868 O HOH 26 7.219 26.393 3.429 1.00 29.30 O HETATM 1869 O HOH 27 25.643 41.927 2.119 1.00 32.54 O HETATM 1870 O HOH 28 27.390 16.196 12.872 1.00 37.67 O HETATM 1871 O HOH 29 25.248 19.005 5.947 1.00 17.30 O HETATM 1872 O HOH 30 21.381 42.406 17.388 1.00 29.37 O HETATM 1873 O HOH 31 26.294 40.429 -1.009 1.00 39.39 O HETATM 1874 O HOH 32 -3.466 33.424 21.813 1.00 25.56 O HETATM 1875 O HOH 33 23.528 37.753 -6.797 1.00 25.42 O HETATM 1876 O HOH 34 16.672 21.877 1.684 1.00 18.70 O HETATM 1877 O HOH 35 9.063 24.660 7.343 1.00 24.87 O HETATM 1878 O HOH 36 6.867 46.025 8.749 1.00 38.03 O HETATM 1879 O HOH 37 27.934 25.548 2.439 1.00 26.07 O HETATM 1880 O HOH 38 1.463 34.319 9.610 1.00 28.32 O HETATM 1881 O HOH 39 13.031 45.643 11.816 1.00 22.33 O HETATM 1882 O HOH 40 22.810 41.358 0.642 1.00 29.16 O HETATM 1883 O HOH 41 1.665 21.592 16.022 1.00 32.96 O HETATM 1884 O HOH 42 29.967 34.160 -2.641 1.00 33.40 O HETATM 1885 O HOH 43 4.849 37.818 6.033 1.00 32.79 O HETATM 1886 O HOH 44 -4.397 29.593 26.347 1.00 38.15 O HETATM 1887 O HOH 45 0.583 29.138 16.253 1.00 35.35 O HETATM 1888 O HOH 46 26.147 24.553 1.401 1.00 38.05 O HETATM 1889 O HOH 47 21.778 45.863 7.804 1.00 29.11 O HETATM 1890 O HOH 48 25.510 33.931 11.458 1.00 32.92 O HETATM 1891 O HOH 49 11.154 24.449 45.459 1.00 37.28 O HETATM 1892 O HOH 50 3.080 26.283 36.909 1.00 34.26 O HETATM 1893 O HOH 51 30.223 22.118 19.879 1.00 23.27 O HETATM 1894 O HOH 52 7.375 8.344 35.553 1.00 29.67 O HETATM 1895 O HOH 53 12.228 16.297 40.407 1.00 18.27 O HETATM 1896 O HOH 54 14.617 5.312 37.164 1.00 24.19 O HETATM 1897 O HOH 55 16.263 5.156 34.975 1.00 23.29 O HETATM 1898 O HOH 56 16.846 36.130 26.493 1.00 21.08 O HETATM 1899 O HOH 57 7.053 15.959 25.530 1.00 31.01 O HETATM 1900 O HOH 58 0.988 28.937 25.562 1.00 26.08 O HETATM 1901 O HOH 59 14.388 21.666 46.848 1.00 38.69 O HETATM 1902 O HOH 60 24.721 16.143 26.574 1.00 32.93 O HETATM 1903 O HOH 61 11.821 20.621 41.386 1.00 30.39 O HETATM 1904 O HOH 62 18.194 21.064 16.718 1.00 17.50 O HETATM 1905 O HOH 63 21.576 34.421 28.207 1.00 26.92 O HETATM 1906 O HOH 64 9.589 7.765 35.497 1.00 31.44 O HETATM 1907 O HOH 65 7.475 23.937 18.522 1.00 12.24 O HETATM 1908 O HOH 66 12.815 27.044 44.526 1.00 29.69 O HETATM 1909 O HOH 67 15.837 15.882 11.903 1.00 31.26 O HETATM 1910 O HOH 68 4.409 19.138 22.984 1.00 32.51 O HETATM 1911 O HOH 69 23.877 13.706 28.305 1.00 35.38 O HETATM 1912 O HOH 70 7.718 7.330 33.356 1.00 27.19 O HETATM 1913 O HOH 71 8.919 21.945 17.100 1.00 15.45 O HETATM 1914 O HOH 72 9.392 16.197 27.113 1.00 16.20 O HETATM 1915 O HOH 73 22.691 15.670 19.887 1.00 24.87 O HETATM 1916 O HOH 74 4.039 13.408 31.859 1.00 20.25 O HETATM 1917 O HOH 75 18.797 34.533 30.306 1.00 31.77 O HETATM 1918 O HOH 76 18.505 20.311 47.145 1.00 22.00 O HETATM 1919 O HOH 77 15.470 5.412 23.198 1.00 33.14 O HETATM 1920 O HOH 78 14.781 39.787 28.956 1.00 36.84 O HETATM 1921 O HOH 79 22.723 19.754 32.941 1.00 34.03 O HETATM 1922 O HOH 80 1.632 15.571 35.326 1.00 16.88 O HETATM 1923 O HOH 81 23.230 23.235 34.240 1.00 29.92 O HETATM 1924 O HOH 82 17.779 39.709 26.050 1.00 19.47 O HETATM 1925 O HOH 83 1.706 34.764 28.871 1.00 34.04 O HETATM 1926 O HOH 84 26.302 25.873 16.404 1.00 21.96 O HETATM 1927 O HOH 85 9.649 13.657 39.853 1.00 25.43 O HETATM 1928 O HOH 86 12.567 4.665 40.939 1.00 34.07 O HETATM 1929 O HOH 87 21.875 21.968 43.023 1.00 39.10 O HETATM 1930 O HOH 88 2.354 18.854 29.729 1.00 26.93 O HETATM 1931 O HOH 89 21.913 12.555 38.358 1.00 33.95 O HETATM 1932 O HOH 90 7.277 4.584 36.791 1.00 33.16 O HETATM 1933 O HOH 91 21.433 8.566 19.758 1.00 35.34 O HETATM 1934 O HOH 92 4.178 27.804 40.298 1.00 26.86 O HETATM 1935 O HOH 93 15.643 31.744 36.276 1.00 20.46 O HETATM 1936 O HOH 94 23.504 34.702 24.588 1.00 21.83 O HETATM 1937 O HOH 95 4.191 16.740 29.502 1.00 11.43 O HETATM 1938 O HOH 96 8.132 1.526 30.496 1.00 32.97 O HETATM 1939 O HOH 97 13.159 19.269 42.957 1.00 31.73 O HETATM 1940 O HOH 98 7.385 9.570 37.825 1.00 36.98 O HETATM 1941 O HOH 99 9.729 7.738 19.129 1.00 34.22 O HETATM 1942 O HOH 100 22.453 27.266 23.008 1.00 37.72 O HETATM 1943 O HOH 101 15.598 34.495 30.706 1.00 27.59 O HETATM 1944 O HOH 102 23.753 27.657 26.319 1.00 27.05 O HETATM 1945 O HOH 103 17.655 36.110 28.990 1.00 34.38 O HETATM 1946 O HOH 104 14.029 4.924 20.454 1.00 29.17 O HETATM 1947 O HOH 105 26.668 27.847 14.970 1.00 24.16 O HETATM 1948 O HOH 106 12.553 13.706 40.140 1.00 32.08 O HETATM 1949 O HOH 107 14.538 45.530 25.825 1.00 35.85 O HETATM 1950 O HOH 108 14.126 12.784 41.884 1.00 33.55 O HETATM 1951 O HOH 109 7.221 -0.138 37.993 1.00 22.41 O HETATM 1952 N MOL A 110 23.927 27.919 17.320 1.00 0.24 N HETATM 1953 CA MOL A 110 23.196 26.741 17.751 1.00 0.07 C HETATM 1954 C MOL A 110 21.711 26.876 17.477 1.00 0.23 C HETATM 1955 O MOL A 110 21.083 27.885 17.767 1.00 -0.39 O HETATM 1956 N1 MOL A 110 21.126 25.844 16.918 1.00 -0.26 N HETATM 1957 CA1 MOL A 110 19.733 25.852 16.507 1.00 0.13 C HETATM 1958 C1 MOL A 110 19.050 24.666 17.177 1.00 0.20 C HETATM 1959 O1 MOL A 110 19.290 23.516 16.788 1.00 -0.39 O HETATM 1960 N2 MOL A 110 18.218 24.905 18.179 1.00 -0.28 N HETATM 1961 CA2 MOL A 110 17.660 23.793 18.924 1.00 0.08 C HETATM 1962 C2 MOL A 110 16.147 23.672 18.752 1.00 -0.01 C HETATM 1963 N3 MOL A 110 15.846 23.554 17.359 1.00 0.25 N HETATM 1964 CA3 MOL A 110 14.614 22.869 17.008 1.00 0.08 C HETATM 1965 C3 MOL A 110 14.640 21.419 17.473 1.00 0.23 C HETATM 1966 O2 MOL A 110 15.620 20.635 17.522 1.00 -0.39 O HETATM 1967 N4 MOL A 110 13.454 20.974 17.869 1.00 -0.26 N HETATM 1968 CA4 MOL A 110 13.312 19.588 18.305 1.00 0.13 C HETATM 1969 C4 MOL A 110 11.893 19.091 18.045 1.00 0.20 C HETATM 1970 O3 MOL A 110 10.899 19.749 18.339 1.00 -0.39 O HETATM 1971 N5 MOL A 110 11.807 17.829 17.617 1.00 -0.26 N HETATM 1972 CA5 MOL A 110 10.506 17.148 17.499 1.00 0.13 C HETATM 1973 C5 MOL A 110 10.642 15.633 17.504 1.00 0.20 C HETATM 1974 O4 MOL A 110 11.631 15.023 17.087 1.00 -0.39 O HETATM 1975 N6 MOL A 110 9.618 14.918 17.989 1.00 -0.26 N HETATM 1976 CA6 MOL A 110 9.661 13.459 17.939 1.00 0.13 C HETATM 1977 C6 MOL A 110 9.782 13.009 16.479 1.00 0.20 C HETATM 1978 O5 MOL A 110 9.175 13.665 15.617 1.00 -0.39 O HETATM 1979 N7 MOL A 110 10.593 11.839 16.167 1.00 -0.30 N HETATM 1980 H70 MOL A 110 10.683 11.531 15.220 1.00 0.18 H HETATM 1981 H71 MOL A 110 11.059 11.344 16.900 1.00 0.18 H HETATM 1982 CB6 MOL A 110 8.430 12.761 18.497 1.00 -0.01 C HETATM 1983 CG6 MOL A 110 8.224 11.333 18.000 1.00 -0.05 C HETATM 1984 CD4 MOL A 110 7.882 10.298 19.049 1.00 -0.06 C HETATM 1985 CE MOL A 110 6.987 9.164 18.570 1.00 -0.07 C HETATM 1986 H67 MOL A 110 6.798 8.469 19.402 1.00 0.02 H HETATM 1987 H68 MOL A 110 7.484 8.626 17.749 1.00 0.02 H HETATM 1988 H69 MOL A 110 6.032 9.576 18.213 1.00 0.02 H HETATM 1989 H65 MOL A 110 7.370 10.809 19.878 1.00 0.03 H HETATM 1990 H66 MOL A 110 8.822 9.859 19.414 1.00 0.03 H HETATM 1991 H63 MOL A 110 9.153 11.014 17.505 1.00 0.03 H HETATM 1992 H64 MOL A 110 7.405 11.349 17.266 1.00 0.03 H HETATM 1993 H61 MOL A 110 7.545 13.352 18.217 1.00 0.03 H HETATM 1994 H62 MOL A 110 8.520 12.732 19.593 1.00 0.03 H HETATM 1995 H60 MOL A 110 10.542 13.124 18.506 1.00 0.08 H HETATM 1996 H59 MOL A 110 8.826 15.383 18.384 1.00 0.19 H HETATM 1997 CB5 MOL A 110 9.859 17.634 16.221 1.00 -0.02 C HETATM 1998 H56 MOL A 110 8.881 17.146 16.097 1.00 0.03 H HETATM 1999 H57 MOL A 110 10.504 17.385 15.366 1.00 0.03 H HETATM 2000 H58 MOL A 110 9.721 18.724 16.271 1.00 0.03 H HETATM 2001 H55 MOL A 110 9.876 17.436 18.353 1.00 0.08 H HETATM 2002 H54 MOL A 110 12.642 17.337 17.372 1.00 0.19 H HETATM 2003 CB4 MOL A 110 13.661 19.457 19.793 1.00 -0.00 C HETATM 2004 CG5 MOL A 110 13.636 18.057 20.409 1.00 0.00 C HETATM 2005 CD3 MOL A 110 12.278 17.555 20.875 1.00 0.04 C HETATM 2006 OE1 MOL A 110 11.430 18.471 21.023 1.00 -0.57 O HETATM 2007 OE2 MOL A 110 11.952 16.355 20.998 1.00 -0.57 O HETATM 2008 H52 MOL A 110 14.309 18.060 21.279 1.00 0.04 H HETATM 2009 H53 MOL A 110 14.014 17.351 19.655 1.00 0.04 H HETATM 2010 H50 MOL A 110 12.945 20.076 20.354 1.00 0.03 H HETATM 2011 H51 MOL A 110 14.677 19.857 19.929 1.00 0.03 H HETATM 2012 H49 MOL A 110 14.011 18.966 17.726 1.00 0.08 H HETATM 2013 H48 MOL A 110 12.662 21.585 17.869 1.00 0.19 H HETATM 2014 CB3 MOL A 110 14.424 23.069 15.499 1.00 0.04 C HETATM 2015 CG4 MOL A 110 13.589 21.990 14.852 1.00 -0.04 C HETATM 2016 CD11 MOL A 110 12.222 22.033 15.029 1.00 -0.06 C HETATM 2017 CE1 MOL A 110 11.389 21.079 14.485 1.00 -0.07 C HETATM 2018 CZ1 MOL A 110 11.972 20.057 13.740 1.00 -0.07 C HETATM 2019 CE2 MOL A 110 13.349 20.032 13.561 1.00 -0.07 C HETATM 2020 CD21 MOL A 110 14.171 20.986 14.110 1.00 -0.06 C HETATM 2021 H44 MOL A 110 15.245 20.950 13.964 1.00 0.06 H HETATM 2022 H46 MOL A 110 13.788 19.236 12.970 1.00 0.06 H HETATM 2023 H47 MOL A 110 11.353 19.283 13.301 1.00 0.06 H HETATM 2024 H45 MOL A 110 10.316 21.123 14.632 1.00 0.06 H HETATM 2025 H43 MOL A 110 11.791 22.839 15.612 1.00 0.06 H HETATM 2026 H41 MOL A 110 15.415 23.077 15.021 1.00 0.05 H HETATM 2027 H42 MOL A 110 13.930 24.038 15.335 1.00 0.05 H HETATM 2028 H40 MOL A 110 13.775 23.359 17.524 1.00 0.11 H HETATM 2029 H38 MOL A 110 16.606 23.055 16.924 1.00 0.20 H HETATM 2030 H39 MOL A 110 15.795 24.486 16.979 1.00 0.20 H HETATM 2031 H27 MOL A 110 15.656 24.567 19.161 1.00 0.08 H HETATM 2032 H28 MOL A 110 15.785 22.780 19.285 1.00 0.08 H HETATM 2033 CB2 MOL A 110 18.014 23.844 20.413 1.00 -0.02 C HETATM 2034 CG3 MOL A 110 19.543 23.603 20.554 1.00 -0.04 C HETATM 2035 CD1 MOL A 110 20.129 24.783 21.287 1.00 -0.06 C HETATM 2036 H32 MOL A 110 21.214 24.641 21.402 1.00 0.02 H HETATM 2037 H33 MOL A 110 19.662 24.867 22.280 1.00 0.02 H HETATM 2038 H34 MOL A 110 19.939 25.702 20.714 1.00 0.02 H HETATM 2039 CD2 MOL A 110 19.771 22.244 21.171 1.00 -0.06 C HETATM 2040 H35 MOL A 110 19.297 21.473 20.545 1.00 0.02 H HETATM 2041 H36 MOL A 110 19.330 22.220 22.178 1.00 0.02 H HETATM 2042 H37 MOL A 110 20.851 22.049 21.239 1.00 0.02 H HETATM 2043 H31 MOL A 110 19.994 23.583 19.551 1.00 0.03 H HETATM 2044 H29 MOL A 110 17.462 23.062 20.955 1.00 0.03 H HETATM 2045 H30 MOL A 110 17.752 24.830 20.825 1.00 0.03 H HETATM 2046 H26 MOL A 110 18.110 22.878 18.512 1.00 0.06 H HETATM 2047 H25 MOL A 110 17.976 25.845 18.420 1.00 0.19 H HETATM 2048 CB1 MOL A 110 19.640 25.776 14.975 1.00 -0.01 C HETATM 2049 CG1 MOL A 110 18.203 25.744 14.479 1.00 -0.06 C HETATM 2050 H19 MOL A 110 18.195 25.690 13.380 1.00 0.02 H HETATM 2051 H20 MOL A 110 17.682 26.657 14.805 1.00 0.02 H HETATM 2052 H21 MOL A 110 17.692 24.863 14.893 1.00 0.02 H HETATM 2053 CG2 MOL A 110 20.387 26.944 14.347 1.00 -0.06 C HETATM 2054 H22 MOL A 110 21.424 26.956 14.714 1.00 0.02 H HETATM 2055 H23 MOL A 110 19.891 27.887 14.621 1.00 0.02 H HETATM 2056 H24 MOL A 110 20.386 26.834 13.252 1.00 0.02 H HETATM 2057 H18 MOL A 110 20.127 24.843 14.654 1.00 0.03 H HETATM 2058 H17 MOL A 110 19.254 26.783 16.844 1.00 0.08 H HETATM 2059 H16 MOL A 110 21.663 25.014 16.768 1.00 0.19 H HETATM 2060 CB MOL A 110 23.437 26.497 19.247 1.00 0.01 C HETATM 2061 CG MOL A 110 24.848 25.987 19.560 1.00 -0.01 C HETATM 2062 CD MOL A 110 24.747 24.793 20.493 1.00 0.06 C HETATM 2063 NE MOL A 110 25.912 23.976 20.670 1.00 -0.27 N HETATM 2064 CZ MOL A 110 26.976 23.740 19.915 1.00 0.29 C HETATM 2065 NH1 MOL A 110 27.168 24.298 18.722 1.00 -0.28 N HETATM 2066 H12 MOL A 110 28.015 24.076 18.180 1.00 0.26 H HETATM 2067 H13 MOL A 110 26.469 24.952 18.341 1.00 0.26 H HETATM 2068 NH2 MOL A 110 27.911 22.905 20.385 1.00 -0.28 N HETATM 2069 H14 MOL A 110 27.788 22.459 21.305 1.00 0.26 H HETATM 2070 H15 MOL A 110 28.754 22.708 19.826 1.00 0.26 H HETATM 2071 H11 MOL A 110 25.925 23.469 21.567 1.00 0.26 H HETATM 2072 H9 MOL A 110 23.948 24.143 20.107 1.00 0.07 H HETATM 2073 H10 MOL A 110 24.462 25.176 21.484 1.00 0.07 H HETATM 2074 H7 MOL A 110 25.430 26.785 20.044 1.00 0.03 H HETATM 2075 H8 MOL A 110 25.346 25.685 18.627 1.00 0.03 H HETATM 2076 H5 MOL A 110 22.710 25.751 19.600 1.00 0.03 H HETATM 2077 H6 MOL A 110 23.281 27.444 19.785 1.00 0.03 H HETATM 2078 H4 MOL A 110 23.573 25.874 17.189 1.00 0.11 H HETATM 2079 H1 MOL A 110 24.908 27.796 17.516 1.00 0.20 H HETATM 2080 H2 MOL A 110 23.584 28.727 17.815 1.00 0.20 H HETATM 2081 H3 MOL A 110 23.797 28.052 16.329 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 569 568 1843 CONECT 922 923 928 929 930 CONECT 929 922 CONECT 930 922 CONECT 1843 569 CONECT 1952 1953 2079 2080 2081 CONECT 1953 1952 1954 2060 2078 CONECT 1954 1953 1955 1956 CONECT 1955 1954 CONECT 1956 1954 1957 2059 CONECT 1957 1956 1958 2048 2058 CONECT 1958 1957 1959 1960 CONECT 1959 1958 CONECT 1960 1958 1961 2047 CONECT 1961 1960 1962 2033 2046 CONECT 1962 1961 1963 2031 2032 CONECT 1963 1962 1964 2029 2030 CONECT 1964 1963 1965 2014 2028 CONECT 1965 1964 1966 1967 CONECT 1966 1965 CONECT 1967 1965 1968 2013 CONECT 1968 1967 1969 2003 2012 CONECT 1969 1968 1970 1971 CONECT 1970 1969 CONECT 1971 1969 1972 2002 CONECT 1972 1971 1973 1997 2001 CONECT 1973 1972 1974 1975 CONECT 1974 1973 CONECT 1975 1973 1976 1996 CONECT 1976 1975 1977 1982 1995 CONECT 1977 1976 1978 1979 CONECT 1978 1977 CONECT 1979 1977 1980 1981 CONECT 1980 1979 CONECT 1981 1979 CONECT 1982 1976 1983 1993 1994 CONECT 1983 1982 1984 1991 1992 CONECT 1984 1983 1985 1989 1990 CONECT 1985 1984 1986 1987 1988 CONECT 1986 1985 CONECT 1987 1985 CONECT 1988 1985 CONECT 1989 1984 CONECT 1990 1984 CONECT 1991 1983 CONECT 1992 1983 CONECT 1993 1982 CONECT 1994 1982 CONECT 1995 1976 CONECT 1996 1975 CONECT 1997 1972 1998 1999 2000 CONECT 1998 1997 CONECT 1999 1997 CONECT 2000 1997 CONECT 2001 1972 CONECT 2002 1971 CONECT 2003 1968 2004 2010 2011 CONECT 2004 2003 2005 2008 2009 CONECT 2005 2004 2006 2007 CONECT 2006 2005 CONECT 2007 2005 CONECT 2008 2004 CONECT 2009 2004 CONECT 2010 2003 CONECT 2011 2003 CONECT 2012 1968 CONECT 2013 1967 CONECT 2014 1964 2015 2026 2027 CONECT 2015 2014 2016 2020 CONECT 2016 2015 2017 2025 CONECT 2017 2016 2018 2024 CONECT 2018 2017 2019 2023 CONECT 2019 2018 2020 2022 CONECT 2020 2015 2019 2021 CONECT 2021 2020 CONECT 2022 2019 CONECT 2023 2018 CONECT 2024 2017 CONECT 2025 2016 CONECT 2026 2014 CONECT 2027 2014 CONECT 2028 1964 CONECT 2029 1963 CONECT 2030 1963 CONECT 2031 1962 CONECT 2032 1962 CONECT 2033 1961 2034 2044 2045 CONECT 2034 2033 2035 2039 2043 CONECT 2035 2034 2036 2037 2038 CONECT 2036 2035 CONECT 2037 2035 CONECT 2038 2035 CONECT 2039 2034 2040 2041 2042 CONECT 2040 2039 CONECT 2041 2039 CONECT 2042 2039 CONECT 2043 2034 CONECT 2044 2033 CONECT 2045 2033 CONECT 2046 1961 CONECT 2047 1960 CONECT 2048 1957 2049 2053 2057 CONECT 2049 2048 2050 2051 2052 CONECT 2050 2049 CONECT 2051 2049 CONECT 2052 2049 CONECT 2053 2048 2054 2055 2056 CONECT 2054 2053 CONECT 2055 2053 CONECT 2056 2053 CONECT 2057 2048 CONECT 2058 1957 CONECT 2059 1956 CONECT 2060 1953 2061 2076 2077 CONECT 2061 2060 2062 2074 2075 CONECT 2062 2061 2063 2072 2073 CONECT 2063 2062 2064 2071 CONECT 2064 2063 2065 2068 CONECT 2065 2064 2066 2067 CONECT 2066 2065 CONECT 2067 2065 CONECT 2068 2064 2069 2070 CONECT 2069 2068 CONECT 2070 2068 CONECT 2071 2063 CONECT 2072 2062 CONECT 2073 2062 CONECT 2074 2061 CONECT 2075 2061 CONECT 2076 2060 CONECT 2077 2060 CONECT 2078 1953 CONECT 2079 1952 CONECT 2080 1952 CONECT 2081 1952 MASTER 0 0 0 0 0 0 0 0 2079 2 138 16 END
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Structure:
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Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 6o48
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1a94
RCSB PDB
PDBbind
99aa, >1A94_1|Chains... at 90%
1aid
RCSB PDB
PDBbind
99aa, >1AID_1|Chains... at 91%
1b6j
RCSB PDB
PDBbind
99aa, >1B6J_1|Chains... at 93%
1b6k
RCSB PDB
PDBbind
99aa, >1B6K_1|Chains... at 95%
1b6l
RCSB PDB
PDBbind
99aa, >1B6L_1|Chains... at 95%
1b6m
RCSB PDB
PDBbind
99aa, >1B6M_1|Chains... at 95%
1b6p
RCSB PDB
PDBbind
99aa, >1B6P_1|Chains... at 95%
1cpi
RCSB PDB
PDBbind
99aa, >1CPI_1|Chains... at 93%
1d4k
RCSB PDB
PDBbind
99aa, >1D4K_1|Chains... at 95%
1d4l
RCSB PDB
PDBbind
99aa, >1D4L_1|Chains... at 95%
1kzk
RCSB PDB
PDBbind
99aa, >1KZK_1|Chains... at 92%
1mtr
RCSB PDB
PDBbind
99aa, >1MTR_1|Chains... at 95%
1sdt
RCSB PDB
PDBbind
99aa, >1SDT_1|Chains... at 91%
1sdu
RCSB PDB
PDBbind
99aa, >1SDU_1|Chains... at 90%
1sdv
RCSB PDB
PDBbind
99aa, >1SDV_1|Chains... at 90%
1z1h
RCSB PDB
PDBbind
99aa, >1Z1H_1|Chains... at 95%
1z1r
RCSB PDB
PDBbind
99aa, >1Z1R_1|Chains... at 95%
2aoc
RCSB PDB
PDBbind
99aa, >2AOC_1|Chains... at 90%
2aod
RCSB PDB
PDBbind
99aa, >2AOD_1|Chains... at 91%
2aoe
RCSB PDB
PDBbind
99aa, >2AOE_1|Chains... at 90%
2aog
RCSB PDB
PDBbind
99aa, >2AOG_1|Chains... at 90%
2aoh
RCSB PDB
PDBbind
99aa, >2AOH_1|Chains... at 90%
2avm
RCSB PDB
PDBbind
99aa, >2AVM_1|Chains... at 90%
2avo
RCSB PDB
PDBbind
99aa, >2AVO_1|Chains... at 90%
2avq
RCSB PDB
PDBbind
99aa, >2AVQ_1|Chains... at 90%
2avs
RCSB PDB
PDBbind
99aa, >2AVS_1|Chains... at 90%
2avv
RCSB PDB
PDBbind
99aa, >2AVV_1|Chains... at 90%
2f3k
RCSB PDB
PDBbind
99aa, >2F3K_1|Chains... at 91%
2f80
RCSB PDB
PDBbind
99aa, >2F80_1|Chains... at 90%
2f81
RCSB PDB
PDBbind
99aa, >2F81_1|Chains... at 90%
2f8g
RCSB PDB
PDBbind
99aa, >2F8G_1|Chains... at 90%
2fgu
RCSB PDB
PDBbind
99aa, >2FGU_1|Chains... at 91%
2fgv
RCSB PDB
PDBbind
99aa, >2FGV_1|Chains... at 91%
2hb3
RCSB PDB
PDBbind
99aa, >2HB3_1|Chains... at 91%
2hs1
RCSB PDB
PDBbind
99aa, >2HS1_1|Chains... at 90%
2hs2
RCSB PDB
PDBbind
99aa, >2HS2_1|Chains... at 92%
2i0a
RCSB PDB
PDBbind
99aa, >2I0A_1|Chains... at 91%
2i0d
RCSB PDB
PDBbind
99aa, >2I0D_1|Chains... at 91%
2idw
RCSB PDB
PDBbind
99aa, >2IDW_1|Chains... at 90%
2ien
RCSB PDB
PDBbind
99aa, >2IEN_1|Chains... at 91%
2ieo
RCSB PDB
PDBbind
99aa, >2IEO_1|Chains... at 90%
2nmy
RCSB PDB
PDBbind
99aa, >2NMY_1|Chains... at 90%
2nmz
RCSB PDB
PDBbind
99aa, >2NMZ_1|Chains... at 90%
2nnk
RCSB PDB
PDBbind
99aa, >2NNK_1|Chains... at 90%
2nnp
RCSB PDB
PDBbind
99aa, >2NNP_1|Chains... at 90%
2nxd
RCSB PDB
PDBbind
99aa, >2NXD_1|Chains... at 90%
2nxl
RCSB PDB
PDBbind
99aa, >2NXL_1|Chains... at 90%
2nxm
RCSB PDB
PDBbind
99aa, >2NXM_1|Chains... at 90%
2psu
RCSB PDB
PDBbind
99aa, >2PSU_1|Chains... at 91%
2psv
RCSB PDB
PDBbind
99aa, >2PSV_1|Chains... at 91%
2q54
RCSB PDB
PDBbind
99aa, >2Q54_1|Chains... at 91%
2q55
RCSB PDB
PDBbind
99aa, >2Q55_1|Chains... at 91%
2q5k
RCSB PDB
PDBbind
99aa, >2Q5K_1|Chains... at 91%
2qci
RCSB PDB
PDBbind
99aa, >2QCI_1|Chains... at 90%
2qd6
RCSB PDB
PDBbind
99aa, >2QD6_1|Chains... at 90%
2qd7
RCSB PDB
PDBbind
99aa, >2QD7_1|Chains... at 90%
2qd8
RCSB PDB
PDBbind
99aa, >2QD8_1|Chains... at 90%
2qhy
RCSB PDB
PDBbind
99aa, >2QHY_1|Chains... at 91%
2qhz
RCSB PDB
PDBbind
99aa, >2QHZ_1|Chains... at 91%
2qi0
RCSB PDB
PDBbind
99aa, >2QI0_1|Chains... at 91%
2qi1
RCSB PDB
PDBbind
99aa, >2QI1_1|Chains... at 91%
2qi3
RCSB PDB
PDBbind
99aa, >2QI3_1|Chains... at 91%
2qi4
RCSB PDB
PDBbind
99aa, >2QI4_1|Chains... at 91%
2qi5
RCSB PDB
PDBbind
99aa, >2QI5_1|Chains... at 91%
2qi6
RCSB PDB
PDBbind
99aa, >2QI6_1|Chains... at 91%
2qi7
RCSB PDB
PDBbind
99aa, >2QI7_1|Chains... at 91%
2z4o
RCSB PDB
PDBbind
99aa, >2Z4O_1|Chains... at 91%
3a2o
RCSB PDB
PDBbind
99aa, >3A2O_1|Chains... at 91%
3aid
RCSB PDB
PDBbind
99aa, >3AID_1|Chains... at 92%
3bva
RCSB PDB
PDBbind
99aa, >3BVA_1|Chains... at 90%
3bvb
RCSB PDB
PDBbind
99aa, >3BVB_1|Chains... at 90%
3bxs
RCSB PDB
PDBbind
99aa, >3BXS_1|Chains... at 95%
3cyw
RCSB PDB
PDBbind
99aa, >3CYW_1|Chains... at 90%
3cyx
RCSB PDB
PDBbind
99aa, >3CYX_1|Chains... at 90%
3d1x
RCSB PDB
PDBbind
99aa, >3D1X_1|Chains... at 90%
3d1y
RCSB PDB
PDBbind
99aa, >3D1Y_1|Chains... at 90%
3d1z
RCSB PDB
PDBbind
99aa, >3D1Z_1|Chains... at 90%
3d20
RCSB PDB
PDBbind
99aa, >3D20_1|Chains... at 90%
3dcr
RCSB PDB
PDBbind
99aa, >3DCR_1|Chains... at 98%
3djk
RCSB PDB
PDBbind
99aa, >3DJK_1|Chains... at 91%
3dk1
RCSB PDB
PDBbind
99aa, >3DK1_1|Chains... at 91%
3ekv
RCSB PDB
PDBbind
99aa, >3EKV_1|Chains... at 91%
3ekx
RCSB PDB
PDBbind
99aa, >3EKX_1|Chains... at 91%
3eky
RCSB PDB
PDBbind
99aa, >3EKY_1|Chains... at 91%
3el1
RCSB PDB
PDBbind
99aa, >3EL1_1|Chains... at 92%
3el9
RCSB PDB
PDBbind
99aa, >3EL9_1|Chains... at 90%
3fsm
RCSB PDB
PDBbind
203aa, >3FSM_1|Chain... *
3gi4
RCSB PDB
PDBbind
99aa, >3GI4_1|Chains... at 91%
3gi5
RCSB PDB
PDBbind
99aa, >3GI5_1|Chains... at 91%
3gi6
RCSB PDB
PDBbind
99aa, >3GI6_1|Chains... at 91%
3h5b
RCSB PDB
PDBbind
99aa, >3H5B_1|Chains... at 91%
3hau
RCSB PDB
PDBbind
99aa, >3HAU_1|Chains... at 98%
3haw
RCSB PDB
PDBbind
99aa, >3HAW_1|Chains... at 100%
3hbo
RCSB PDB
PDBbind
99aa, >3HBO_1|Chains... at 100%
3hdk
RCSB PDB
PDBbind
99aa, >3HDK_1|Chains... at 100%
3hlo
RCSB PDB
PDBbind
203aa, >3HLO_1|Chain... at 99%
3i6o
RCSB PDB
PDBbind
99aa, >3I6O_1|Chains... at 91%
3i7e
RCSB PDB
PDBbind
99aa, >3I7E_1|Chains... at 92%
3iaw
RCSB PDB
PDBbind
203aa, >3IAW_1|Chain... at 99%
3ka2
RCSB PDB
PDBbind
203aa, >3KA2_1|Chain... at 99%
3lzv
RCSB PDB
PDBbind
99aa, >3LZV_1|Chains... at 90%
3mxd
RCSB PDB
PDBbind
99aa, >3MXD_1|Chains... at 91%
3mxe
RCSB PDB
PDBbind
99aa, >3MXE_1|Chains... at 91%
3nu3
RCSB PDB
PDBbind
99aa, >3NU3_1|Chains... at 91%
3nu4
RCSB PDB
PDBbind
99aa, >3NU4_1|Chains... at 90%
3nu5
RCSB PDB
PDBbind
99aa, >3NU5_1|Chains... at 90%
3nu6
RCSB PDB
PDBbind
99aa, >3NU6_1|Chains... at 90%
3nu9
RCSB PDB
PDBbind
99aa, >3NU9_1|Chains... at 90%
3nuj
RCSB PDB
PDBbind
99aa, >3NUJ_1|Chains... at 90%
3nuo
RCSB PDB
PDBbind
99aa, >3NUO_1|Chains... at 90%
3o99
RCSB PDB
PDBbind
99aa, >3O99_1|Chains... at 91%
3o9a
RCSB PDB
PDBbind
99aa, >3O9A_1|Chains... at 91%
3o9b
RCSB PDB
PDBbind
99aa, >3O9B_1|Chains... at 91%
3o9c
RCSB PDB
PDBbind
99aa, >3O9C_1|Chains... at 91%
3o9d
RCSB PDB
PDBbind
99aa, >3O9D_1|Chains... at 91%
3o9e
RCSB PDB
PDBbind
99aa, >3O9E_1|Chains... at 91%
3o9f
RCSB PDB
PDBbind
99aa, >3O9F_1|Chains... at 91%
3o9g
RCSB PDB
PDBbind
99aa, >3O9G_1|Chains... at 91%
3o9h
RCSB PDB
PDBbind
99aa, >3O9H_1|Chains... at 91%
3o9i
RCSB PDB
PDBbind
99aa, >3O9I_1|Chains... at 91%
3ok9
RCSB PDB
PDBbind
99aa, >3OK9_1|Chains... at 91%
3oxc
RCSB PDB
PDBbind
99aa, >3OXC_1|Chains... at 91%
3pwm
RCSB PDB
PDBbind
99aa, >3PWM_1|Chains... at 90%
3qaa
RCSB PDB
PDBbind
99aa, >3QAA_1|Chains... at 91%
3st5
RCSB PDB
PDBbind
99aa, >3ST5_1|Chains... at 91%
3vf5
RCSB PDB
PDBbind
99aa, >3VF5_1|Chains... at 90%
3vf7
RCSB PDB
PDBbind
99aa, >3VF7_1|Chains... at 90%
3vfa
RCSB PDB
PDBbind
99aa, >3VFA_1|Chains... at 90%
3vfb
RCSB PDB
PDBbind
99aa, >3VFB_1|Chains... at 90%
4dfg
RCSB PDB
PDBbind
99aa, >4DFG_1|Chains... at 91%
4djo
RCSB PDB
PDBbind
99aa, >4DJO_1|Chains... at 91%
4djp
RCSB PDB
PDBbind
99aa, >4DJP_1|Chains... at 91%
4djq
RCSB PDB
PDBbind
99aa, >4DJQ_1|Chains... at 91%
4djr
RCSB PDB
PDBbind
99aa, >4DJR_1|Chains... at 91%
4ej8
RCSB PDB
PDBbind
99aa, >4EJ8_1|Chains... at 92%
4ejl
RCSB PDB
PDBbind
99aa, >4EJL_1|Chains... at 92%
4ep2
RCSB PDB
PDBbind
203aa, >4EP2_1|Chain... at 90%
4hdb
RCSB PDB
PDBbind
99aa, >4HDB_1|Chains... at 90%
4hdf
RCSB PDB
PDBbind
99aa, >4HDF_1|Chains... at 90%
4hdp
RCSB PDB
PDBbind
99aa, >4HDP_1|Chains... at 90%
4he9
RCSB PDB
PDBbind
99aa, >4HE9_1|Chains... at 90%
4heg
RCSB PDB
PDBbind
99aa, >4HEG_1|Chains... at 90%
4kb9
RCSB PDB
PDBbind
99aa, >4KB9_1|Chains... at 91%
4q1w
RCSB PDB
PDBbind
99aa, >4Q1W_1|Chains... at 90%
4q1x
RCSB PDB
PDBbind
99aa, >4Q1X_1|Chains... at 90%
4q1y
RCSB PDB
PDBbind
99aa, >4Q1Y_1|Chains... at 90%
4u8w
RCSB PDB
PDBbind
99aa, >4U8W_1|Chains... at 91%
4zip
RCSB PDB
PDBbind
99aa, >4ZIP_1|Chains... at 91%
4zls
RCSB PDB
PDBbind
99aa, >4ZLS_1|Chains... at 91%
5bry
RCSB PDB
PDBbind
99aa, >5BRY_1|Chains... at 91%
5bs4
RCSB PDB
PDBbind
99aa, >5BS4_1|Chains... at 91%
5dgu
RCSB PDB
PDBbind
99aa, >5DGU_1|Chains... at 91%
5dgw
RCSB PDB
PDBbind
99aa, >5DGW_1|Chains... at 91%
5jfp
RCSB PDB
PDBbind
99aa, >5JFP_1|Chains... at 91%
5jfu
RCSB PDB
PDBbind
99aa, >5JFU_1|Chains... at 91%
5jg1
RCSB PDB
PDBbind
99aa, >5JG1_1|Chains... at 91%
5ult
RCSB PDB
PDBbind
99aa, >5ULT_1|Chains... at 91%
5uov
RCSB PDB
PDBbind
99aa, >5UOV_1|Chains... at 91%
5upz
RCSB PDB
PDBbind
99aa, >5UPZ_1|Chains... at 91%
5wlo
RCSB PDB
PDBbind
99aa, >5WLO_1|Chains... at 91%
6b4n
RCSB PDB
PDBbind
99aa, >6B4N_1|Chains... at 91%
6c8x
RCSB PDB
PDBbind
99aa, >6C8X_1|Chains... at 91%
6cdj
RCSB PDB
PDBbind
99aa, >6CDJ_1|Chains... at 91%
6cdl
RCSB PDB
PDBbind
99aa, >6CDL_1|Chains... at 91%
6dif
RCSB PDB
PDBbind
99aa, >6DIF_1|Chains... at 91%
6dil
RCSB PDB
PDBbind
99aa, >6DIL_1|Chains... at 90%
6dj1
RCSB PDB
PDBbind
99aa, >6DJ1_1|Chains... at 91%
6dj2
RCSB PDB
PDBbind
99aa, >6DJ2_1|Chains... at 90%
6dj5
RCSB PDB
PDBbind
99aa, >6DJ5_1|Chains... at 90%
6dj7
RCSB PDB
PDBbind
99aa, >6DJ7_1|Chains... at 90%
6e7j
RCSB PDB
PDBbind
99aa, >6E7J_1|Chains... at 91%
6e9a
RCSB PDB
PDBbind
99aa, >6E9A_1|Chains... at 91%
7hvp
RCSB PDB
PDBbind
99aa, >7HVP_1|Chains... at 93%
8hvp
RCSB PDB
PDBbind
99aa, >8HVP_1|Chains... at 93%
6ixd
RCSB PDB
PDBbind
99aa, >6IXD_1|Chains... at 91%
6u7o
RCSB PDB
PDBbind
99aa, >6U7O_1|Chains... at 91%
6u7p
RCSB PDB
PDBbind
99aa, >6U7P_1|Chains... at 91%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a94
RCSB PDB
PDBbind
0Q4
1bai
RCSB PDB
PDBbind
0Q4
2aoe
RCSB PDB
PDBbind
0Q4
6o5x
RCSB PDB
PDBbind
0Q4
Entry Information
PDB ID
6o48
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
HIV-1 protease
Ligand Name
0Q4
EC.Number
E.C.-.-.-.-
Resolution
1.46(Å)
Affinity (Kd/Ki/IC50)
Ki=75nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Acs Omega Vol. 4: pp. 8707-8719
Ligand Properties
Formula
C
4
0
H
7
2
N
1
1
O
8
Molecular Weight
835.069
Exact Mass
834.557
No. of atoms
131
No. of bonds
131
Polar Surface Area
336.15
LOGP Value
2.23 (
Computed with XLOGP3
)
-0.35 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 33
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 1
Canonical SMILES
CCCC[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC[NH+]=C(N)N)[NH3+])CC(C)C)CCC(=O)O)C
InChI String
InChI=1S/C40H69N11O8/c1-7-8-16-29(34(42)54)49-35(55)25(6)47-37(57)30(17-18-32(52)53)50-38(58)31(21-26-13-10-9-11-14-26)46-22-27(20-23(2)3)48-39(59)33(24(4)5)51-36(56)28(41)15-12-19-45-40(43)44/h9-11,13-14,23-25,27-31,33,46H,7-8,12,15-22,41H2,1-6H3,(H2,42,54)(H,47,57)(H,48,59)(H,49,55)(H,50,58)(H,51,56)(H,52,53)(H4,43,44,45)/p+3/t25-,27-,28-,29-,30-,31-,33-/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):
P03366
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
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