Browse entries in the PDBbind-CN Database
HEADER 4I67_COMPLEX COMPND 4I67_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 76 ALA GLU ARG SER LEU LEU THR GLY GLU GLU GLY TRP ARG SEQRES 2 A 76 THR TYR LYS ALA THR GLY PRO ARG LEU SER LEU PRO ARG SEQRES 3 A 76 LEU VAL ALA LEU LEU LYS GLY GLN GLY LEU GLU VAL GLY SEQRES 4 A 76 LYS VAL ALA GLU ALA GLU GLY GLY PHE TYR VAL ASP LEU SEQRES 5 A 76 ARG PRO GLU ALA ARG PRO GLU VAL ALA GLY LEU ARG LEU SEQRES 6 A 76 GLU PRO ALA ARG ARG VAL GLU GLY LEU LEU GLU HET G A 88 142 ATOM 1 N ALA A 424 25.612 -19.247 2.021 1.00135.55 N ATOM 2 CA ALA A 424 25.318 -18.085 2.853 1.00138.33 C ATOM 3 C ALA A 424 26.403 -17.010 2.713 1.00142.20 C ATOM 4 O ALA A 424 26.684 -16.274 3.663 1.00151.58 O ATOM 5 CB ALA A 424 25.150 -18.503 4.317 1.00129.34 C ATOM 6 HA ALA A 424 24.379 -17.652 2.507 1.00 0.00 H ATOM 7 HB1 ALA A 424 24.328 -19.215 4.398 1.00 0.00 H ATOM 8 HB2 ALA A 424 26.071 -18.968 4.669 1.00 0.00 H ATOM 9 HB3 ALA A 424 24.931 -17.623 4.922 1.00 0.00 H ATOM 10 HN3 ALA A 424 26.523 -19.657 2.309 1.00 0.00 H ATOM 11 HN2 ALA A 424 25.662 -18.954 1.024 1.00 0.00 H ATOM 12 HN1 ALA A 424 24.860 -19.955 2.138 1.00 0.00 H ATOM 13 N GLU A 425 26.998 -16.920 1.521 1.00132.43 N ATOM 14 CA GLU A 425 28.109 -15.992 1.251 1.00127.48 C ATOM 15 C GLU A 425 28.369 -15.799 -0.254 1.00113.45 C ATOM 16 O GLU A 425 28.891 -16.694 -0.918 1.00108.86 O ATOM 17 CB GLU A 425 29.386 -16.497 1.921 1.00136.22 C ATOM 18 CG GLU A 425 29.873 -15.652 3.078 1.00145.89 C ATOM 19 CD GLU A 425 30.722 -14.485 2.621 1.00148.40 C ATOM 20 OE1 GLU A 425 30.681 -14.143 1.417 1.00143.97 O ATOM 21 OE2 GLU A 425 31.441 -13.915 3.469 1.00154.99 O ATOM 22 HA GLU A 425 27.819 -15.025 1.663 1.00 0.00 H ATOM 23 HB2 GLU A 425 29.199 -17.505 2.292 1.00 0.00 H ATOM 24 HB3 GLU A 425 30.174 -16.529 1.169 1.00 0.00 H ATOM 25 HG2 GLU A 425 29.009 -15.266 3.619 1.00 0.00 H ATOM 26 HG3 GLU A 425 30.467 -16.278 3.744 1.00 0.00 H ATOM 27 H GLU A 425 26.662 -17.532 0.750 1.00 0.00 H ATOM 28 N ARG A 426 28.030 -14.624 -0.783 1.00102.70 N ATOM 29 CA ARG A 426 27.983 -14.424 -2.232 1.00 94.91 C ATOM 30 C ARG A 426 28.914 -13.334 -2.769 1.00 95.06 C ATOM 31 O ARG A 426 29.156 -12.328 -2.103 1.00 85.28 O ATOM 32 CB ARG A 426 26.549 -14.104 -2.667 1.00 86.90 C ATOM 33 CG ARG A 426 25.543 -15.204 -2.385 1.00 96.27 C ATOM 34 CD ARG A 426 24.135 -14.752 -2.731 1.00103.43 C ATOM 35 NE ARG A 426 23.186 -15.859 -2.714 1.00128.51 N ATOM 36 CZ ARG A 426 22.840 -16.566 -3.787 1.00144.83 C ATOM 37 NH1 ARG A 426 23.369 -16.278 -4.970 1.00135.32 N ATOM 38 NH2 ARG A 426 21.963 -17.560 -3.678 1.00159.24 N ATOM 39 HA ARG A 426 28.337 -15.363 -2.658 1.00 0.00 H ATOM 40 HB2 ARG A 426 26.227 -13.205 -2.141 1.00 0.00 H ATOM 41 HB3 ARG A 426 26.553 -13.914 -3.740 1.00 0.00 H ATOM 42 HG2 ARG A 426 25.794 -16.080 -2.983 1.00 0.00 H ATOM 43 HG3 ARG A 426 25.585 -15.464 -1.327 1.00 0.00 H ATOM 44 HD2 ARG A 426 24.142 -14.309 -3.727 1.00 0.00 H ATOM 45 HD3 ARG A 426 23.817 -14.004 -2.005 1.00 0.00 H ATOM 46 HE ARG A 426 22.751 -16.113 -1.804 1.00 0.00 H ATOM 47 HH12 ARG A 426 23.099 -16.830 -5.809 1.00 0.00 H ATOM 48 HH11 ARG A 426 24.054 -15.500 -5.058 1.00 0.00 H ATOM 49 HH22 ARG A 426 21.694 -18.111 -4.518 1.00 0.00 H ATOM 50 HH21 ARG A 426 21.546 -17.786 -2.753 1.00 0.00 H ATOM 51 H ARG A 426 27.794 -13.832 -0.152 1.00 0.00 H ATOM 52 N SER A 427 29.409 -13.537 -3.989 1.00 95.10 N ATOM 53 CA SER A 427 30.179 -12.521 -4.699 1.00 85.90 C ATOM 54 C SER A 427 29.348 -11.263 -4.869 1.00 88.72 C ATOM 55 O SER A 427 28.131 -11.346 -4.990 1.00 89.75 O ATOM 56 CB SER A 427 30.573 -13.036 -6.080 1.00 82.62 C ATOM 57 OG SER A 427 31.007 -11.973 -6.914 1.00 77.25 O ATOM 58 HA SER A 427 31.074 -12.297 -4.118 1.00 0.00 H ATOM 59 HB2 SER A 427 29.712 -13.521 -6.539 1.00 0.00 H ATOM 60 HB3 SER A 427 31.382 -13.759 -5.974 1.00 0.00 H ATOM 61 HG SER A 427 31.792 -11.532 -6.503 1.00 0.00 H ATOM 62 H SER A 427 29.241 -14.453 -4.452 1.00 0.00 H ATOM 63 N LEU A 428 29.998 -10.100 -4.873 1.00 87.55 N ATOM 64 CA LEU A 428 29.306 -8.839 -5.146 1.00 78.75 C ATOM 65 C LEU A 428 29.372 -8.486 -6.625 1.00 84.59 C ATOM 66 O LEU A 428 28.689 -7.577 -7.082 1.00 79.52 O ATOM 67 CB LEU A 428 29.913 -7.690 -4.356 1.00 69.38 C ATOM 68 CG LEU A 428 29.624 -7.617 -2.865 1.00 80.39 C ATOM 69 CD1 LEU A 428 30.333 -6.408 -2.269 1.00 81.65 C ATOM 70 CD2 LEU A 428 28.126 -7.549 -2.617 1.00 88.14 C ATOM 71 HA LEU A 428 28.268 -8.982 -4.845 1.00 0.00 H ATOM 72 HB2 LEU A 428 30.995 -7.751 -4.474 1.00 0.00 H ATOM 73 HB3 LEU A 428 29.552 -6.763 -4.802 1.00 0.00 H ATOM 74 HG LEU A 428 30.000 -8.518 -2.380 1.00 0.00 H ATOM 75 HD21 LEU A 428 27.719 -6.662 -3.102 1.00 0.00 H ATOM 76 HD22 LEU A 428 27.650 -8.440 -3.028 1.00 0.00 H ATOM 77 HD23 LEU A 428 27.939 -7.497 -1.544 1.00 0.00 H ATOM 78 HD11 LEU A 428 31.407 -6.504 -2.427 1.00 0.00 H ATOM 79 HD12 LEU A 428 29.972 -5.501 -2.754 1.00 0.00 H ATOM 80 HD13 LEU A 428 30.125 -6.357 -1.200 1.00 0.00 H ATOM 81 H LEU A 428 31.019 -10.088 -4.678 1.00 0.00 H ATOM 82 N LEU A 429 30.214 -9.191 -7.369 1.00 79.82 N ATOM 83 CA LEU A 429 30.292 -8.975 -8.803 1.00 75.88 C ATOM 84 C LEU A 429 29.292 -9.886 -9.485 1.00 78.62 C ATOM 85 O LEU A 429 28.376 -9.419 -10.137 1.00 89.15 O ATOM 86 CB LEU A 429 31.702 -9.261 -9.310 1.00 69.43 C ATOM 87 CG LEU A 429 32.758 -8.533 -8.493 1.00 73.27 C ATOM 88 CD1 LEU A 429 34.125 -9.013 -8.892 1.00 61.13 C ATOM 89 CD2 LEU A 429 32.626 -7.014 -8.654 1.00 72.27 C ATOM 90 HA LEU A 429 30.058 -7.935 -9.030 1.00 0.00 H ATOM 91 HB2 LEU A 429 31.887 -10.333 -9.250 1.00 0.00 H ATOM 92 HB3 LEU A 429 31.775 -8.938 -10.349 1.00 0.00 H ATOM 93 HG LEU A 429 32.608 -8.757 -7.437 1.00 0.00 H ATOM 94 HD21 LEU A 429 32.751 -6.749 -9.704 1.00 0.00 H ATOM 95 HD22 LEU A 429 31.640 -6.698 -8.313 1.00 0.00 H ATOM 96 HD23 LEU A 429 33.393 -6.519 -8.059 1.00 0.00 H ATOM 97 HD11 LEU A 429 34.200 -10.085 -8.709 1.00 0.00 H ATOM 98 HD12 LEU A 429 34.284 -8.812 -9.951 1.00 0.00 H ATOM 99 HD13 LEU A 429 34.879 -8.489 -8.304 1.00 0.00 H ATOM 100 H LEU A 429 30.824 -9.905 -6.921 1.00 0.00 H ATOM 101 N THR A 430 29.486 -11.190 -9.341 1.00 85.87 N ATOM 102 CA THR A 430 28.498 -12.168 -9.759 1.00 93.28 C ATOM 103 C THR A 430 27.507 -12.270 -8.615 1.00106.41 C ATOM 104 O THR A 430 27.615 -11.544 -7.633 1.00125.59 O ATOM 105 CB THR A 430 29.139 -13.544 -9.940 1.00104.18 C ATOM 106 OG1 THR A 430 30.498 -13.388 -10.362 1.00102.28 O ATOM 107 CG2 THR A 430 28.371 -14.360 -10.973 1.00128.39 C ATOM 108 HA THR A 430 28.042 -11.868 -10.702 1.00 0.00 H ATOM 109 HB THR A 430 29.110 -14.072 -8.987 1.00 0.00 H ATOM 110 HG1 THR A 430 30.911 -14.280 -10.478 1.00 0.00 H ATOM 111 HG23 THR A 430 27.337 -14.476 -10.647 1.00 0.00 H ATOM 112 HG21 THR A 430 28.395 -13.844 -11.933 1.00 0.00 H ATOM 113 HG22 THR A 430 28.833 -15.342 -11.075 1.00 0.00 H ATOM 114 H THR A 430 30.374 -11.523 -8.915 1.00 0.00 H ATOM 115 N GLY A 431 26.546 -13.170 -8.713 1.00 94.92 N ATOM 116 CA GLY A 431 25.720 -13.432 -7.559 1.00101.57 C ATOM 117 C GLY A 431 26.190 -14.673 -6.830 1.00106.53 C ATOM 118 O GLY A 431 25.764 -14.941 -5.706 1.00120.91 O ATOM 119 HA3 GLY A 431 24.689 -13.577 -7.883 1.00 0.00 H ATOM 120 HA2 GLY A 431 25.771 -12.579 -6.882 1.00 0.00 H ATOM 121 H GLY A 431 26.387 -13.681 -9.605 1.00 0.00 H ATOM 122 N GLU A 432 27.088 -15.424 -7.459 1.00100.54 N ATOM 123 CA GLU A 432 27.310 -16.816 -7.070 1.00111.55 C ATOM 124 C GLU A 432 27.854 -17.043 -5.658 1.00106.58 C ATOM 125 O GLU A 432 28.762 -16.349 -5.203 1.00111.38 O ATOM 126 CB GLU A 432 28.167 -17.535 -8.111 1.00117.00 C ATOM 127 CG GLU A 432 29.459 -16.839 -8.419 1.00121.09 C ATOM 128 CD GLU A 432 30.276 -17.597 -9.432 1.00126.59 C ATOM 129 OE1 GLU A 432 29.865 -18.722 -9.802 1.00125.86 O ATOM 130 OE2 GLU A 432 31.325 -17.063 -9.856 1.00127.78 O ATOM 131 HA GLU A 432 26.311 -17.251 -7.038 1.00 0.00 H ATOM 132 HB2 GLU A 432 28.395 -18.534 -7.738 1.00 0.00 H ATOM 133 HB3 GLU A 432 27.592 -17.616 -9.033 1.00 0.00 H ATOM 134 HG2 GLU A 432 29.240 -15.847 -8.813 1.00 0.00 H ATOM 135 HG3 GLU A 432 30.037 -16.744 -7.500 1.00 0.00 H ATOM 136 H GLU A 432 27.641 -15.016 -8.239 1.00 0.00 H ATOM 137 N GLU A 433 27.271 -18.021 -4.973 1.00109.30 N ATOM 138 CA GLU A 433 27.712 -18.403 -3.640 1.00110.56 C ATOM 139 C GLU A 433 29.161 -18.873 -3.694 1.00101.59 C ATOM 140 O GLU A 433 29.645 -19.285 -4.747 1.00107.59 O ATOM 141 CB GLU A 433 26.819 -19.520 -3.088 1.00112.82 C ATOM 142 CG GLU A 433 25.380 -19.106 -2.848 1.00129.02 C ATOM 143 CD GLU A 433 24.385 -20.174 -3.280 1.00154.87 C ATOM 144 OE1 GLU A 433 23.172 -20.021 -3.007 1.00166.15 O ATOM 145 OE2 GLU A 433 24.815 -21.169 -3.901 1.00163.11 O ATOM 146 HA GLU A 433 27.639 -17.539 -2.980 1.00 0.00 H ATOM 147 HB2 GLU A 433 26.823 -20.345 -3.801 1.00 0.00 H ATOM 148 HB3 GLU A 433 27.240 -19.858 -2.141 1.00 0.00 H ATOM 149 HG2 GLU A 433 25.245 -18.912 -1.784 1.00 0.00 H ATOM 150 HG3 GLU A 433 25.180 -18.194 -3.410 1.00 0.00 H ATOM 151 H GLU A 433 26.473 -18.530 -5.404 1.00 0.00 H ATOM 152 N GLY A 434 29.852 -18.803 -2.561 1.00 86.58 N ATOM 153 CA GLY A 434 31.201 -19.330 -2.459 1.00 83.15 C ATOM 154 C GLY A 434 32.296 -18.331 -2.782 1.00 90.44 C ATOM 155 O GLY A 434 33.470 -18.695 -2.889 1.00 89.79 O ATOM 156 HA3 GLY A 434 31.292 -20.169 -3.149 1.00 0.00 H ATOM 157 HA2 GLY A 434 31.352 -19.682 -1.439 1.00 0.00 H ATOM 158 H GLY A 434 29.416 -18.360 -1.727 1.00 0.00 H ATOM 159 N TRP A 435 31.926 -17.068 -2.941 1.00 82.80 N ATOM 160 CA TRP A 435 32.931 -16.052 -3.178 1.00 80.62 C ATOM 161 C TRP A 435 32.814 -14.914 -2.189 1.00 81.55 C ATOM 162 O TRP A 435 31.757 -14.693 -1.596 1.00 82.98 O ATOM 163 CB TRP A 435 32.843 -15.535 -4.613 1.00 83.75 C ATOM 164 CG TRP A 435 33.111 -16.622 -5.601 1.00 96.10 C ATOM 165 CD1 TRP A 435 32.186 -17.331 -6.309 1.00100.43 C ATOM 166 CD2 TRP A 435 34.391 -17.163 -5.962 1.00 89.04 C ATOM 167 NE1 TRP A 435 32.808 -18.266 -7.100 1.00 90.67 N ATOM 168 CE2 TRP A 435 34.159 -18.185 -6.903 1.00 83.87 C ATOM 169 CE3 TRP A 435 35.706 -16.871 -5.586 1.00 82.40 C ATOM 170 CZ2 TRP A 435 35.196 -18.921 -7.475 1.00 74.35 C ATOM 171 CZ3 TRP A 435 36.734 -17.605 -6.151 1.00 86.64 C ATOM 172 CH2 TRP A 435 36.473 -18.620 -7.086 1.00 82.09 C ATOM 173 HA TRP A 435 33.909 -16.512 -3.034 1.00 0.00 H ATOM 174 HB2 TRP A 435 31.843 -15.137 -4.786 1.00 0.00 H ATOM 175 HB3 TRP A 435 33.578 -14.742 -4.750 1.00 0.00 H ATOM 176 HE1 TRP A 435 32.329 -18.928 -7.744 1.00 0.00 H ATOM 177 HD1 TRP A 435 31.108 -17.178 -6.255 1.00 0.00 H ATOM 178 HZ2 TRP A 435 34.997 -19.706 -8.204 1.00 0.00 H ATOM 179 HH2 TRP A 435 37.306 -19.180 -7.511 1.00 0.00 H ATOM 180 HZ3 TRP A 435 37.764 -17.392 -5.865 1.00 0.00 H ATOM 181 HE3 TRP A 435 35.917 -16.082 -4.864 1.00 0.00 H ATOM 182 H TRP A 435 30.920 -16.808 -2.896 1.00 0.00 H ATOM 183 N ARG A 436 33.920 -14.214 -1.994 1.00 68.79 N ATOM 184 CA ARG A 436 33.899 -12.973 -1.250 1.00 67.17 C ATOM 185 C ARG A 436 34.642 -11.913 -2.037 1.00 65.77 C ATOM 186 O ARG A 436 35.789 -12.109 -2.441 1.00 61.05 O ATOM 187 CB ARG A 436 34.549 -13.132 0.109 1.00 72.47 C ATOM 188 CG ARG A 436 34.666 -11.805 0.802 1.00 78.79 C ATOM 189 CD ARG A 436 35.478 -11.882 2.069 1.00 85.51 C ATOM 190 NE ARG A 436 34.777 -12.599 3.119 1.00 95.25 N ATOM 191 CZ ARG A 436 35.284 -13.652 3.740 1.00104.92 C ATOM 192 NH1 ARG A 436 36.491 -14.094 3.404 1.00112.74 N ATOM 193 NH2 ARG A 436 34.589 -14.257 4.691 1.00107.67 N ATOM 194 HA ARG A 436 32.860 -12.681 -1.098 1.00 0.00 H ATOM 195 HB2 ARG A 436 33.943 -13.802 0.719 1.00 0.00 H ATOM 196 HB3 ARG A 436 35.544 -13.558 -0.018 1.00 0.00 H ATOM 197 HG2 ARG A 436 35.143 -11.098 0.124 1.00 0.00 H ATOM 198 HG3 ARG A 436 33.665 -11.451 1.049 1.00 0.00 H ATOM 199 HD2 ARG A 436 35.690 -10.870 2.414 1.00 0.00 H ATOM 200 HD3 ARG A 436 36.415 -12.396 1.856 1.00 0.00 H ATOM 201 HE ARG A 436 33.831 -12.269 3.397 1.00 0.00 H ATOM 202 HH12 ARG A 436 36.895 -14.921 3.888 1.00 0.00 H ATOM 203 HH11 ARG A 436 37.032 -13.613 2.657 1.00 0.00 H ATOM 204 HH22 ARG A 436 34.987 -15.085 5.179 1.00 0.00 H ATOM 205 HH21 ARG A 436 33.645 -13.905 4.950 1.00 0.00 H ATOM 206 H ARG A 436 34.820 -14.562 -2.382 1.00 0.00 H ATOM 207 N THR A 437 33.986 -10.786 -2.264 1.00 66.40 N ATOM 208 CA THR A 437 34.571 -9.756 -3.095 1.00 60.79 C ATOM 209 C THR A 437 35.578 -8.879 -2.341 1.00 66.12 C ATOM 210 O THR A 437 35.266 -8.308 -1.301 1.00 62.01 O ATOM 211 CB THR A 437 33.498 -8.887 -3.710 1.00 67.02 C ATOM 212 OG1 THR A 437 32.546 -9.726 -4.371 1.00 75.66 O ATOM 213 CG2 THR A 437 34.127 -7.951 -4.730 1.00 69.25 C ATOM 214 HA THR A 437 35.117 -10.275 -3.882 1.00 0.00 H ATOM 215 HB THR A 437 33.007 -8.302 -2.932 1.00 0.00 H ATOM 216 HG1 THR A 437 33.002 -10.247 -5.078 1.00 0.00 H ATOM 217 HG23 THR A 437 34.854 -7.309 -4.232 1.00 0.00 H ATOM 218 HG21 THR A 437 34.627 -8.538 -5.500 1.00 0.00 H ATOM 219 HG22 THR A 437 33.350 -7.337 -5.186 1.00 0.00 H ATOM 220 H THR A 437 33.046 -10.640 -1.843 1.00 0.00 H ATOM 221 N TYR A 438 36.793 -8.780 -2.872 1.00 58.85 N ATOM 222 CA TYR A 438 37.822 -7.943 -2.266 1.00 64.01 C ATOM 223 C TYR A 438 38.125 -6.754 -3.167 1.00 64.66 C ATOM 224 O TYR A 438 38.003 -6.851 -4.385 1.00 71.52 O ATOM 225 CB TYR A 438 39.110 -8.758 -2.069 1.00 56.84 C ATOM 226 CG TYR A 438 39.082 -9.681 -0.879 1.00 70.69 C ATOM 227 CD1 TYR A 438 38.475 -10.926 -0.949 1.00 77.23 C ATOM 228 CD2 TYR A 438 39.665 -9.304 0.325 1.00 76.40 C ATOM 229 CE1 TYR A 438 38.452 -11.775 0.158 1.00 77.15 C ATOM 230 CE2 TYR A 438 39.644 -10.140 1.435 1.00 77.19 C ATOM 231 CZ TYR A 438 39.041 -11.375 1.346 1.00 74.24 C ATOM 232 OH TYR A 438 39.026 -12.205 2.448 1.00 77.64 O ATOM 233 HA TYR A 438 37.458 -7.588 -1.302 1.00 0.00 H ATOM 234 HB3 TYR A 438 39.939 -8.062 -1.942 1.00 0.00 H ATOM 235 HB2 TYR A 438 39.275 -9.358 -2.964 1.00 0.00 H ATOM 236 HD2 TYR A 438 40.150 -8.331 0.400 1.00 0.00 H ATOM 237 HE2 TYR A 438 40.102 -9.820 2.371 1.00 0.00 H ATOM 238 HE1 TYR A 438 37.972 -12.751 0.088 1.00 0.00 H ATOM 239 HD1 TYR A 438 38.010 -11.246 -1.881 1.00 0.00 H ATOM 240 HH TYR A 438 38.558 -13.047 2.219 1.00 0.00 H ATOM 241 H TYR A 438 37.014 -9.311 -3.738 1.00 0.00 H ATOM 242 N LYS A 439 38.551 -5.643 -2.582 1.00 66.10 N ATOM 243 CA LYS A 439 39.145 -4.562 -3.374 1.00 62.57 C ATOM 244 C LYS A 439 40.674 -4.643 -3.301 1.00 58.07 C ATOM 245 O LYS A 439 41.245 -4.623 -2.205 1.00 67.54 O ATOM 246 CB LYS A 439 38.665 -3.188 -2.884 1.00 73.36 C ATOM 247 CG LYS A 439 39.432 -1.996 -3.471 1.00 87.98 C ATOM 248 CD LYS A 439 38.981 -1.640 -4.890 1.00 91.60 C ATOM 249 CE LYS A 439 37.959 -0.501 -4.887 1.00107.26 C ATOM 250 NZ LYS A 439 38.491 0.766 -4.299 1.00116.84 N ATOM 251 HA LYS A 439 38.826 -4.681 -4.409 1.00 0.00 H ATOM 252 HB2 LYS A 439 37.614 -3.080 -3.150 1.00 0.00 H ATOM 253 HB3 LYS A 439 38.769 -3.158 -1.799 1.00 0.00 H ATOM 254 HG2 LYS A 439 39.275 -1.130 -2.828 1.00 0.00 H ATOM 255 HG3 LYS A 439 40.494 -2.242 -3.494 1.00 0.00 H ATOM 256 HD2 LYS A 439 39.851 -1.334 -5.472 1.00 0.00 H ATOM 257 HD3 LYS A 439 38.530 -2.519 -5.349 1.00 0.00 H ATOM 258 HE2 LYS A 439 37.091 -0.815 -4.307 1.00 0.00 H ATOM 259 HE3 LYS A 439 37.655 -0.305 -5.915 1.00 0.00 H ATOM 260 HZ1 LYS A 439 38.776 0.596 -3.313 1.00 0.00 H ATOM 261 HZ2 LYS A 439 39.314 1.083 -4.850 1.00 0.00 H ATOM 262 HZ3 LYS A 439 37.752 1.497 -4.326 1.00 0.00 H ATOM 263 H LYS A 439 38.463 -5.537 -1.551 1.00 0.00 H ATOM 264 N ALA A 440 41.318 -4.749 -4.466 1.00 56.16 N ATOM 265 CA ALA A 440 42.779 -4.713 -4.591 1.00 63.44 C ATOM 266 C ALA A 440 43.260 -3.338 -5.056 1.00 62.42 C ATOM 267 O ALA A 440 42.798 -2.835 -6.075 1.00 61.91 O ATOM 268 CB ALA A 440 43.246 -5.765 -5.584 1.00 56.88 C ATOM 269 HA ALA A 440 43.201 -4.919 -3.607 1.00 0.00 H ATOM 270 HB1 ALA A 440 42.941 -6.752 -5.236 1.00 0.00 H ATOM 271 HB2 ALA A 440 42.799 -5.567 -6.558 1.00 0.00 H ATOM 272 HB3 ALA A 440 44.332 -5.727 -5.667 1.00 0.00 H ATOM 273 H ALA A 440 40.753 -4.863 -5.332 1.00 0.00 H ATOM 274 N THR A 441 44.191 -2.742 -4.321 1.00 53.96 N ATOM 275 CA THR A 441 44.822 -1.501 -4.751 1.00 56.59 C ATOM 276 C THR A 441 46.331 -1.616 -4.613 1.00 71.40 C ATOM 277 O THR A 441 46.836 -2.451 -3.864 1.00 79.37 O ATOM 278 CB THR A 441 44.358 -0.288 -3.923 1.00 66.94 C ATOM 279 OG1 THR A 441 44.710 -0.487 -2.549 1.00 74.77 O ATOM 280 CG2 THR A 441 42.850 -0.087 -4.030 1.00 70.15 C ATOM 281 HA THR A 441 44.531 -1.344 -5.790 1.00 0.00 H ATOM 282 HB THR A 441 44.852 0.601 -4.316 1.00 0.00 H ATOM 283 HG1 THR A 441 44.269 -1.306 -2.212 1.00 0.00 H ATOM 284 HG23 THR A 441 42.578 0.065 -5.075 1.00 0.00 H ATOM 285 HG21 THR A 441 42.339 -0.969 -3.645 1.00 0.00 H ATOM 286 HG22 THR A 441 42.559 0.787 -3.447 1.00 0.00 H ATOM 287 H THR A 441 44.477 -3.171 -3.418 1.00 0.00 H ATOM 288 N GLY A 442 47.045 -0.752 -5.325 1.00 77.08 N ATOM 289 CA GLY A 442 48.493 -0.769 -5.340 1.00 82.00 C ATOM 290 C GLY A 442 49.051 -0.226 -6.645 1.00 81.80 C ATOM 291 O GLY A 442 48.307 0.006 -7.607 1.00 88.44 O ATOM 292 HA3 GLY A 442 48.835 -1.796 -5.210 1.00 0.00 H ATOM 293 HA2 GLY A 442 48.862 -0.157 -4.517 1.00 0.00 H ATOM 294 H GLY A 442 46.546 -0.037 -5.892 1.00 0.00 H ATOM 295 N PRO A 443 50.372 -0.012 -6.685 1.00 78.15 N ATOM 296 CA PRO A 443 51.107 0.523 -7.838 1.00 86.85 C ATOM 297 C PRO A 443 51.378 -0.553 -8.887 1.00 81.32 C ATOM 298 O PRO A 443 51.378 -1.731 -8.537 1.00 77.16 O ATOM 299 CB PRO A 443 52.440 0.977 -7.224 1.00 93.75 C ATOM 300 CG PRO A 443 52.272 0.854 -5.723 1.00 85.98 C ATOM 301 CD PRO A 443 51.253 -0.209 -5.526 1.00 75.43 C ATOM 302 HA PRO A 443 50.552 1.312 -8.346 1.00 0.00 H ATOM 303 HD3 PRO A 443 51.707 -1.200 -5.538 1.00 0.00 H ATOM 304 HD2 PRO A 443 50.712 -0.070 -4.590 1.00 0.00 H ATOM 305 HG3 PRO A 443 51.927 1.797 -5.299 1.00 0.00 H ATOM 306 HG2 PRO A 443 53.215 0.570 -5.255 1.00 0.00 H ATOM 307 HB2 PRO A 443 53.253 0.338 -7.568 1.00 0.00 H ATOM 308 HB3 PRO A 443 52.651 2.011 -7.498 1.00 0.00 H ATOM 309 N ARG A 444 51.603 -0.150 -10.139 1.00 89.33 N ATOM 310 CA ARG A 444 51.904 -1.079 -11.238 1.00 92.32 C ATOM 311 C ARG A 444 50.896 -2.234 -11.284 1.00 88.02 C ATOM 312 O ARG A 444 51.221 -3.365 -11.646 1.00102.59 O ATOM 313 CB ARG A 444 53.351 -1.593 -11.144 1.00109.79 C ATOM 314 CG ARG A 444 53.975 -2.050 -12.469 1.00126.07 C ATOM 315 CD ARG A 444 55.504 -2.019 -12.414 1.00140.50 C ATOM 316 NE ARG A 444 56.103 -3.345 -12.554 1.00147.26 N ATOM 317 CZ ARG A 444 56.519 -4.095 -11.537 1.00147.23 C ATOM 318 NH1 ARG A 444 57.055 -5.288 -11.766 1.00151.98 N ATOM 319 NH2 ARG A 444 56.406 -3.655 -10.293 1.00140.43 N ATOM 320 HA ARG A 444 51.809 -0.531 -12.175 1.00 0.00 H ATOM 321 HB2 ARG A 444 53.968 -0.790 -10.741 1.00 0.00 H ATOM 322 HB3 ARG A 444 53.364 -2.439 -10.457 1.00 0.00 H ATOM 323 HG2 ARG A 444 53.649 -3.068 -12.681 1.00 0.00 H ATOM 324 HG3 ARG A 444 53.636 -1.388 -13.266 1.00 0.00 H ATOM 325 HD2 ARG A 444 55.810 -1.598 -11.456 1.00 0.00 H ATOM 326 HD3 ARG A 444 55.869 -1.385 -13.222 1.00 0.00 H ATOM 327 HE ARG A 444 56.211 -3.728 -13.515 1.00 0.00 H ATOM 328 HH12 ARG A 444 57.380 -5.874 -10.970 1.00 0.00 H ATOM 329 HH11 ARG A 444 57.150 -5.637 -12.741 1.00 0.00 H ATOM 330 HH22 ARG A 444 56.733 -4.245 -9.501 1.00 0.00 H ATOM 331 HH21 ARG A 444 55.991 -2.720 -10.108 1.00 0.00 H ATOM 332 H ARG A 444 51.564 0.868 -10.347 1.00 0.00 H ATOM 333 N LEU A 445 49.665 -1.928 -10.905 1.00 77.09 N ATOM 334 CA LEU A 445 48.598 -2.905 -10.896 1.00 71.61 C ATOM 335 C LEU A 445 48.044 -3.114 -12.299 1.00 71.40 C ATOM 336 O LEU A 445 47.932 -2.176 -13.074 1.00 72.81 O ATOM 337 CB LEU A 445 47.488 -2.431 -9.957 1.00 58.18 C ATOM 338 CG LEU A 445 46.807 -3.533 -9.159 1.00 74.47 C ATOM 339 CD1 LEU A 445 47.777 -4.669 -8.908 1.00 69.44 C ATOM 340 CD2 LEU A 445 46.303 -2.959 -7.843 1.00 87.41 C ATOM 341 HA LEU A 445 48.994 -3.858 -10.544 1.00 0.00 H ATOM 342 HB2 LEU A 445 47.921 -1.721 -9.252 1.00 0.00 H ATOM 343 HB3 LEU A 445 46.729 -1.929 -10.557 1.00 0.00 H ATOM 344 HG LEU A 445 45.962 -3.926 -9.724 1.00 0.00 H ATOM 345 HD21 LEU A 445 47.145 -2.562 -7.275 1.00 0.00 H ATOM 346 HD22 LEU A 445 45.590 -2.160 -8.046 1.00 0.00 H ATOM 347 HD23 LEU A 445 45.814 -3.746 -7.268 1.00 0.00 H ATOM 348 HD11 LEU A 445 48.115 -5.074 -9.862 1.00 0.00 H ATOM 349 HD12 LEU A 445 48.633 -4.296 -8.346 1.00 0.00 H ATOM 350 HD13 LEU A 445 47.278 -5.451 -8.336 1.00 0.00 H ATOM 351 H LEU A 445 49.458 -0.954 -10.604 1.00 0.00 H ATOM 352 N SER A 446 47.710 -4.354 -12.626 1.00 78.33 N ATOM 353 CA SER A 446 47.040 -4.669 -13.881 1.00 70.86 C ATOM 354 C SER A 446 46.391 -6.028 -13.704 1.00 71.77 C ATOM 355 O SER A 446 46.722 -6.754 -12.762 1.00 71.83 O ATOM 356 CB SER A 446 48.033 -4.724 -15.031 1.00 76.03 C ATOM 357 OG SER A 446 48.875 -5.847 -14.874 1.00 79.70 O ATOM 358 HA SER A 446 46.305 -3.900 -14.119 1.00 0.00 H ATOM 359 HB2 SER A 446 48.636 -3.816 -15.035 1.00 0.00 H ATOM 360 HB3 SER A 446 47.493 -4.804 -15.974 1.00 0.00 H ATOM 361 HG SER A 446 49.521 -5.881 -15.624 1.00 0.00 H ATOM 362 H SER A 446 47.933 -5.126 -11.966 1.00 0.00 H ATOM 363 N LEU A 447 45.464 -6.378 -14.589 1.00 62.52 N ATOM 364 CA LEU A 447 44.722 -7.617 -14.383 1.00 67.17 C ATOM 365 C LEU A 447 45.656 -8.826 -14.364 1.00 73.47 C ATOM 366 O LEU A 447 45.677 -9.556 -13.378 1.00 71.66 O ATOM 367 CB LEU A 447 43.563 -7.800 -15.378 1.00 73.19 C ATOM 368 CG LEU A 447 42.561 -8.924 -15.061 1.00 82.43 C ATOM 369 CD1 LEU A 447 41.173 -8.608 -15.587 1.00 95.81 C ATOM 370 CD2 LEU A 447 43.015 -10.244 -15.635 1.00 86.92 C ATOM 371 HA LEU A 447 44.257 -7.540 -13.400 1.00 0.00 H ATOM 372 HB2 LEU A 447 43.009 -6.862 -15.418 1.00 0.00 H ATOM 373 HB3 LEU A 447 43.995 -8.007 -16.357 1.00 0.00 H ATOM 374 HG LEU A 447 42.517 -8.999 -13.974 1.00 0.00 H ATOM 375 HD21 LEU A 447 43.106 -10.156 -16.718 1.00 0.00 H ATOM 376 HD22 LEU A 447 43.982 -10.511 -15.208 1.00 0.00 H ATOM 377 HD23 LEU A 447 42.284 -11.015 -15.392 1.00 0.00 H ATOM 378 HD11 LEU A 447 40.812 -7.688 -15.127 1.00 0.00 H ATOM 379 HD12 LEU A 447 41.216 -8.482 -16.669 1.00 0.00 H ATOM 380 HD13 LEU A 447 40.498 -9.427 -15.341 1.00 0.00 H ATOM 381 H LEU A 447 45.270 -5.778 -15.416 1.00 0.00 H ATOM 382 N PRO A 448 46.452 -9.018 -15.429 1.00 72.65 N ATOM 383 CA PRO A 448 47.299 -10.215 -15.430 1.00 80.26 C ATOM 384 C PRO A 448 48.242 -10.290 -14.233 1.00 78.79 C ATOM 385 O PRO A 448 48.410 -11.373 -13.671 1.00 82.28 O ATOM 386 CB PRO A 448 48.111 -10.075 -16.728 1.00 80.40 C ATOM 387 CG PRO A 448 47.328 -9.116 -17.588 1.00 70.33 C ATOM 388 CD PRO A 448 46.705 -8.166 -16.610 1.00 67.73 C ATOM 389 HA PRO A 448 46.698 -11.122 -15.368 1.00 0.00 H ATOM 390 HD3 PRO A 448 47.387 -7.352 -16.366 1.00 0.00 H ATOM 391 HD2 PRO A 448 45.775 -7.754 -17.002 1.00 0.00 H ATOM 392 HG3 PRO A 448 46.562 -9.643 -18.156 1.00 0.00 H ATOM 393 HG2 PRO A 448 47.988 -8.586 -18.275 1.00 0.00 H ATOM 394 HB2 PRO A 448 49.103 -9.676 -16.517 1.00 0.00 H ATOM 395 HB3 PRO A 448 48.208 -11.041 -17.224 1.00 0.00 H ATOM 396 N ARG A 449 48.835 -9.168 -13.841 1.00 76.18 N ATOM 397 CA ARG A 449 49.779 -9.186 -12.732 1.00 75.06 C ATOM 398 C ARG A 449 49.044 -9.493 -11.440 1.00 74.52 C ATOM 399 O ARG A 449 49.512 -10.278 -10.620 1.00 82.45 O ATOM 400 CB ARG A 449 50.543 -7.871 -12.636 1.00 69.77 C ATOM 401 CG ARG A 449 51.377 -7.717 -11.392 1.00 74.68 C ATOM 402 CD ARG A 449 52.437 -6.651 -11.590 1.00 90.78 C ATOM 403 NE ARG A 449 52.582 -5.795 -10.417 1.00 99.17 N ATOM 404 CZ ARG A 449 53.475 -5.988 -9.453 1.00 99.62 C ATOM 405 NH1 ARG A 449 54.310 -7.014 -9.513 1.00106.91 N ATOM 406 NH2 ARG A 449 53.535 -5.151 -8.426 1.00 99.21 N ATOM 407 HA ARG A 449 50.515 -9.970 -12.910 1.00 0.00 H ATOM 408 HB2 ARG A 449 51.204 -7.798 -13.499 1.00 0.00 H ATOM 409 HB3 ARG A 449 49.820 -7.055 -12.664 1.00 0.00 H ATOM 410 HG2 ARG A 449 50.732 -7.432 -10.561 1.00 0.00 H ATOM 411 HG3 ARG A 449 51.861 -8.667 -11.165 1.00 0.00 H ATOM 412 HD2 ARG A 449 52.159 -6.033 -12.444 1.00 0.00 H ATOM 413 HD3 ARG A 449 53.392 -7.137 -11.790 1.00 0.00 H ATOM 414 HE ARG A 449 51.943 -4.979 -10.330 1.00 0.00 H ATOM 415 HH12 ARG A 449 55.008 -7.162 -8.756 1.00 0.00 H ATOM 416 HH11 ARG A 449 54.268 -7.672 -10.317 1.00 0.00 H ATOM 417 HH22 ARG A 449 54.235 -5.303 -7.672 1.00 0.00 H ATOM 418 HH21 ARG A 449 52.882 -4.343 -8.375 1.00 0.00 H ATOM 419 H ARG A 449 48.624 -8.273 -14.328 1.00 0.00 H ATOM 420 N LEU A 450 47.873 -8.900 -11.276 1.00 67.37 N ATOM 421 CA LEU A 450 47.059 -9.166 -10.099 1.00 65.68 C ATOM 422 C LEU A 450 46.746 -10.652 -9.972 1.00 70.57 C ATOM 423 O LEU A 450 46.835 -11.237 -8.887 1.00 70.25 O ATOM 424 CB LEU A 450 45.760 -8.397 -10.205 1.00 60.83 C ATOM 425 CG LEU A 450 44.727 -8.689 -9.137 1.00 58.95 C ATOM 426 CD1 LEU A 450 45.276 -8.333 -7.776 1.00 60.22 C ATOM 427 CD2 LEU A 450 43.502 -7.881 -9.457 1.00 67.93 C ATOM 428 HA LEU A 450 47.618 -8.851 -9.218 1.00 0.00 H ATOM 429 HB2 LEU A 450 45.997 -7.334 -10.159 1.00 0.00 H ATOM 430 HB3 LEU A 450 45.314 -8.627 -11.173 1.00 0.00 H ATOM 431 HG LEU A 450 44.475 -9.749 -9.118 1.00 0.00 H ATOM 432 HD21 LEU A 450 43.758 -6.821 -9.460 1.00 0.00 H ATOM 433 HD22 LEU A 450 43.126 -8.168 -10.439 1.00 0.00 H ATOM 434 HD23 LEU A 450 42.737 -8.070 -8.704 1.00 0.00 H ATOM 435 HD11 LEU A 450 46.171 -8.924 -7.581 1.00 0.00 H ATOM 436 HD12 LEU A 450 45.527 -7.272 -7.753 1.00 0.00 H ATOM 437 HD13 LEU A 450 44.525 -8.547 -7.015 1.00 0.00 H ATOM 438 H LEU A 450 47.529 -8.235 -11.998 1.00 0.00 H ATOM 439 N VAL A 451 46.383 -11.257 -11.095 1.00 63.70 N ATOM 440 CA VAL A 451 46.008 -12.662 -11.126 1.00 69.85 C ATOM 441 C VAL A 451 47.230 -13.527 -10.857 1.00 79.57 C ATOM 442 O VAL A 451 47.130 -14.579 -10.238 1.00 78.78 O ATOM 443 CB VAL A 451 45.360 -13.034 -12.487 1.00 68.73 C ATOM 444 CG1 VAL A 451 45.221 -14.556 -12.662 1.00 70.83 C ATOM 445 CG2 VAL A 451 44.010 -12.376 -12.603 1.00 73.23 C ATOM 446 HA VAL A 451 45.268 -12.843 -10.346 1.00 0.00 H ATOM 447 HB VAL A 451 46.017 -12.673 -13.278 1.00 0.00 H ATOM 448 HG11 VAL A 451 46.208 -15.017 -12.617 1.00 0.00 H ATOM 449 HG12 VAL A 451 44.594 -14.956 -11.865 1.00 0.00 H ATOM 450 HG13 VAL A 451 44.763 -14.769 -13.628 1.00 0.00 H ATOM 451 HG21 VAL A 451 43.369 -12.719 -11.791 1.00 0.00 H ATOM 452 HG22 VAL A 451 44.128 -11.294 -12.542 1.00 0.00 H ATOM 453 HG23 VAL A 451 43.559 -12.640 -13.560 1.00 0.00 H ATOM 454 H VAL A 451 46.366 -10.711 -11.980 1.00 0.00 H ATOM 455 N ALA A 452 48.388 -13.066 -11.314 1.00 82.28 N ATOM 456 CA ALA A 452 49.618 -13.813 -11.130 1.00 79.09 C ATOM 457 C ALA A 452 50.028 -13.803 -9.662 1.00 85.99 C ATOM 458 O ALA A 452 50.438 -14.838 -9.120 1.00 81.78 O ATOM 459 CB ALA A 452 50.725 -13.247 -11.996 1.00 70.00 C ATOM 460 HA ALA A 452 49.443 -14.845 -11.435 1.00 0.00 H ATOM 461 HB1 ALA A 452 50.431 -13.306 -13.044 1.00 0.00 H ATOM 462 HB2 ALA A 452 50.901 -12.206 -11.724 1.00 0.00 H ATOM 463 HB3 ALA A 452 51.637 -13.824 -11.841 1.00 0.00 H ATOM 464 H ALA A 452 48.414 -12.154 -11.813 1.00 0.00 H ATOM 465 N LEU A 453 49.911 -12.641 -9.021 1.00 73.00 N ATOM 466 CA LEU A 453 50.296 -12.512 -7.620 1.00 68.88 C ATOM 467 C LEU A 453 49.433 -13.400 -6.728 1.00 69.81 C ATOM 468 O LEU A 453 49.941 -14.099 -5.850 1.00 77.44 O ATOM 469 CB LEU A 453 50.209 -11.061 -7.169 1.00 60.04 C ATOM 470 CG LEU A 453 51.125 -10.149 -7.980 1.00 77.03 C ATOM 471 CD1 LEU A 453 50.866 -8.680 -7.664 1.00 70.56 C ATOM 472 CD2 LEU A 453 52.577 -10.510 -7.750 1.00 82.92 C ATOM 473 HA LEU A 453 51.331 -12.842 -7.527 1.00 0.00 H ATOM 474 HB2 LEU A 453 49.181 -10.718 -7.284 1.00 0.00 H ATOM 475 HB3 LEU A 453 50.495 -11.002 -6.119 1.00 0.00 H ATOM 476 HG LEU A 453 50.901 -10.300 -9.036 1.00 0.00 H ATOM 477 HD21 LEU A 453 52.814 -10.399 -6.692 1.00 0.00 H ATOM 478 HD22 LEU A 453 52.746 -11.543 -8.055 1.00 0.00 H ATOM 479 HD23 LEU A 453 53.212 -9.847 -8.338 1.00 0.00 H ATOM 480 HD11 LEU A 453 49.831 -8.435 -7.904 1.00 0.00 H ATOM 481 HD12 LEU A 453 51.047 -8.500 -6.604 1.00 0.00 H ATOM 482 HD13 LEU A 453 51.535 -8.058 -8.259 1.00 0.00 H ATOM 483 H LEU A 453 49.539 -11.812 -9.528 1.00 0.00 H ATOM 484 N LEU A 454 48.129 -13.385 -6.976 1.00 70.56 N ATOM 485 CA LEU A 454 47.188 -14.183 -6.199 1.00 64.83 C ATOM 486 C LEU A 454 47.435 -15.680 -6.381 1.00 78.87 C ATOM 487 O LEU A 454 47.591 -16.418 -5.404 1.00 73.41 O ATOM 488 CB LEU A 454 45.754 -13.823 -6.580 1.00 60.77 C ATOM 489 CG LEU A 454 45.437 -12.356 -6.251 1.00 65.07 C ATOM 490 CD1 LEU A 454 44.125 -11.937 -6.822 1.00 52.78 C ATOM 491 CD2 LEU A 454 45.429 -12.141 -4.749 1.00 52.16 C ATOM 492 HA LEU A 454 47.343 -13.953 -5.145 1.00 0.00 H ATOM 493 HB2 LEU A 454 45.620 -13.984 -7.650 1.00 0.00 H ATOM 494 HB3 LEU A 454 45.068 -14.466 -6.029 1.00 0.00 H ATOM 495 HG LEU A 454 46.218 -11.744 -6.703 1.00 0.00 H ATOM 496 HD21 LEU A 454 44.670 -12.779 -4.296 1.00 0.00 H ATOM 497 HD22 LEU A 454 46.408 -12.393 -4.342 1.00 0.00 H ATOM 498 HD23 LEU A 454 45.203 -11.097 -4.534 1.00 0.00 H ATOM 499 HD11 LEU A 454 44.149 -12.050 -7.906 1.00 0.00 H ATOM 500 HD12 LEU A 454 43.334 -12.562 -6.408 1.00 0.00 H ATOM 501 HD13 LEU A 454 43.936 -10.894 -6.568 1.00 0.00 H ATOM 502 H LEU A 454 47.768 -12.787 -7.747 1.00 0.00 H ATOM 503 N LYS A 455 47.483 -16.121 -7.635 1.00 73.37 N ATOM 504 CA LYS A 455 47.655 -17.533 -7.935 1.00 70.03 C ATOM 505 C LYS A 455 49.026 -18.026 -7.485 1.00 82.24 C ATOM 506 O LYS A 455 49.220 -19.231 -7.221 1.00 73.59 O ATOM 507 CB LYS A 455 47.447 -17.803 -9.428 1.00 81.12 C ATOM 508 CG LYS A 455 45.988 -17.985 -9.811 1.00 86.54 C ATOM 509 CD LYS A 455 45.859 -18.585 -11.195 1.00 99.53 C ATOM 510 CE LYS A 455 44.533 -19.306 -11.362 1.00103.32 C ATOM 511 NZ LYS A 455 44.398 -19.872 -12.730 1.00106.24 N ATOM 512 HA LYS A 455 46.898 -18.087 -7.379 1.00 0.00 H ATOM 513 HB2 LYS A 455 47.850 -16.961 -9.991 1.00 0.00 H ATOM 514 HB3 LYS A 455 47.990 -18.710 -9.694 1.00 0.00 H ATOM 515 HG2 LYS A 455 45.510 -18.648 -9.089 1.00 0.00 H ATOM 516 HG3 LYS A 455 45.492 -17.015 -9.796 1.00 0.00 H ATOM 517 HD2 LYS A 455 45.926 -17.788 -11.936 1.00 0.00 H ATOM 518 HD3 LYS A 455 46.672 -19.294 -11.352 1.00 0.00 H ATOM 519 HE2 LYS A 455 43.720 -18.601 -11.187 1.00 0.00 H ATOM 520 HE3 LYS A 455 44.474 -20.115 -10.634 1.00 0.00 H ATOM 521 HZ1 LYS A 455 44.449 -19.103 -13.429 1.00 0.00 H ATOM 522 HZ2 LYS A 455 45.169 -20.549 -12.901 1.00 0.00 H ATOM 523 HZ3 LYS A 455 43.483 -20.358 -12.814 1.00 0.00 H ATOM 524 H LYS A 455 47.396 -15.441 -8.417 1.00 0.00 H ATOM 525 N GLY A 456 49.964 -17.083 -7.393 1.00 80.16 N ATOM 526 CA GLY A 456 51.289 -17.354 -6.864 1.00 82.78 C ATOM 527 C GLY A 456 51.248 -17.702 -5.386 1.00 91.14 C ATOM 528 O GLY A 456 52.063 -18.492 -4.911 1.00 96.27 O ATOM 529 HA3 GLY A 456 51.911 -16.470 -7.001 1.00 0.00 H ATOM 530 HA2 GLY A 456 51.723 -18.191 -7.412 1.00 0.00 H ATOM 531 H GLY A 456 49.739 -16.119 -7.711 1.00 0.00 H ATOM 532 N GLN A 457 50.294 -17.111 -4.664 1.00 90.65 N ATOM 533 CA GLN A 457 50.048 -17.451 -3.262 1.00 82.62 C ATOM 534 C GLN A 457 49.209 -18.718 -3.133 1.00 80.52 C ATOM 535 O GLN A 457 48.846 -19.113 -2.031 1.00 84.33 O ATOM 536 CB GLN A 457 49.338 -16.302 -2.526 1.00 83.06 C ATOM 537 CG GLN A 457 50.193 -15.078 -2.332 1.00 70.47 C ATOM 538 CD GLN A 457 51.608 -15.461 -2.027 1.00 81.93 C ATOM 539 OE1 GLN A 457 51.883 -16.090 -1.008 1.00 91.50 O ATOM 540 NE2 GLN A 457 52.519 -15.115 -2.925 1.00 89.11 N ATOM 541 HA GLN A 457 51.023 -17.623 -2.806 1.00 0.00 H ATOM 542 HB2 GLN A 457 48.458 -16.018 -3.102 1.00 0.00 H ATOM 543 HB3 GLN A 457 49.028 -16.663 -1.545 1.00 0.00 H ATOM 544 HG2 GLN A 457 50.173 -14.480 -3.243 1.00 0.00 H ATOM 545 HG3 GLN A 457 49.795 -14.491 -1.504 1.00 0.00 H ATOM 546 HE22 GLN A 457 52.238 -14.582 -3.773 1.00 0.00 H ATOM 547 HE21 GLN A 457 53.515 -15.376 -2.782 1.00 0.00 H ATOM 548 H GLN A 457 49.704 -16.382 -5.114 1.00 0.00 H ATOM 549 N GLY A 458 48.891 -19.348 -4.257 1.00 84.39 N ATOM 550 CA GLY A 458 48.093 -20.561 -4.235 1.00 90.51 C ATOM 551 C GLY A 458 46.609 -20.312 -4.009 1.00 89.76 C ATOM 552 O GLY A 458 45.865 -21.237 -3.651 1.00 85.80 O ATOM 553 HA3 GLY A 458 48.461 -21.201 -3.433 1.00 0.00 H ATOM 554 HA2 GLY A 458 48.215 -21.071 -5.190 1.00 0.00 H ATOM 555 H GLY A 458 49.218 -18.967 -5.168 1.00 0.00 H ATOM 556 N LEU A 459 46.175 -19.069 -4.212 1.00 72.64 N ATOM 557 CA LEU A 459 44.762 -18.730 -4.101 1.00 76.53 C ATOM 558 C LEU A 459 44.011 -18.991 -5.404 1.00 82.01 C ATOM 559 O LEU A 459 44.518 -18.722 -6.493 1.00 84.29 O ATOM 560 CB LEU A 459 44.592 -17.260 -3.719 1.00 70.50 C ATOM 561 CG LEU A 459 45.130 -16.804 -2.368 1.00 75.42 C ATOM 562 CD1 LEU A 459 45.204 -15.291 -2.337 1.00 82.27 C ATOM 563 CD2 LEU A 459 44.231 -17.292 -1.267 1.00 68.48 C ATOM 564 HA LEU A 459 44.343 -19.369 -3.323 1.00 0.00 H ATOM 565 HB2 LEU A 459 45.092 -16.666 -4.484 1.00 0.00 H ATOM 566 HB3 LEU A 459 43.524 -17.043 -3.733 1.00 0.00 H ATOM 567 HG LEU A 459 46.127 -17.218 -2.221 1.00 0.00 H ATOM 568 HD21 LEU A 459 43.229 -16.887 -1.411 1.00 0.00 H ATOM 569 HD22 LEU A 459 44.190 -18.381 -1.289 1.00 0.00 H ATOM 570 HD23 LEU A 459 44.624 -16.961 -0.306 1.00 0.00 H ATOM 571 HD11 LEU A 459 45.869 -14.945 -3.129 1.00 0.00 H ATOM 572 HD12 LEU A 459 44.208 -14.877 -2.490 1.00 0.00 H ATOM 573 HD13 LEU A 459 45.589 -14.967 -1.370 1.00 0.00 H ATOM 574 H LEU A 459 46.859 -18.324 -4.455 1.00 0.00 H ATOM 575 N GLU A 460 42.795 -19.509 -5.281 1.00 80.28 N ATOM 576 CA GLU A 460 41.893 -19.616 -6.415 1.00 72.37 C ATOM 577 C GLU A 460 41.261 -18.249 -6.685 1.00 68.61 C ATOM 578 O GLU A 460 40.907 -17.537 -5.748 1.00 76.93 O ATOM 579 CB GLU A 460 40.815 -20.645 -6.110 1.00 78.65 C ATOM 580 CG GLU A 460 39.870 -20.886 -7.266 1.00 95.53 C ATOM 581 CD GLU A 460 38.904 -22.027 -7.013 1.00105.80 C ATOM 582 OE1 GLU A 460 38.805 -22.499 -5.852 1.00102.00 O ATOM 583 OE2 GLU A 460 38.244 -22.448 -7.988 1.00113.49 O ATOM 584 HA GLU A 460 42.444 -19.936 -7.300 1.00 0.00 H ATOM 585 HB2 GLU A 460 41.299 -21.588 -5.857 1.00 0.00 H ATOM 586 HB3 GLU A 460 40.235 -20.295 -5.256 1.00 0.00 H ATOM 587 HG2 GLU A 460 39.296 -19.976 -7.441 1.00 0.00 H ATOM 588 HG3 GLU A 460 40.458 -21.119 -8.153 1.00 0.00 H ATOM 589 H GLU A 460 42.480 -19.847 -4.349 1.00 0.00 H ATOM 590 N VAL A 461 41.119 -17.867 -7.954 1.00 71.21 N ATOM 591 CA VAL A 461 40.604 -16.531 -8.268 1.00 67.06 C ATOM 592 C VAL A 461 39.365 -16.502 -9.158 1.00 62.18 C ATOM 593 O VAL A 461 39.370 -17.028 -10.260 1.00 65.18 O ATOM 594 CB VAL A 461 41.680 -15.649 -8.903 1.00 70.25 C ATOM 595 CG1 VAL A 461 41.111 -14.279 -9.188 1.00 64.82 C ATOM 596 CG2 VAL A 461 42.896 -15.548 -7.990 1.00 66.81 C ATOM 597 HA VAL A 461 40.303 -16.140 -7.296 1.00 0.00 H ATOM 598 HB VAL A 461 42.001 -16.100 -9.842 1.00 0.00 H ATOM 599 HG11 VAL A 461 40.268 -14.372 -9.873 1.00 0.00 H ATOM 600 HG12 VAL A 461 40.775 -13.826 -8.256 1.00 0.00 H ATOM 601 HG13 VAL A 461 41.881 -13.654 -9.640 1.00 0.00 H ATOM 602 HG21 VAL A 461 42.598 -15.112 -7.037 1.00 0.00 H ATOM 603 HG22 VAL A 461 43.307 -16.544 -7.823 1.00 0.00 H ATOM 604 HG23 VAL A 461 43.650 -14.916 -8.460 1.00 0.00 H ATOM 605 H VAL A 461 41.374 -18.518 -8.723 1.00 0.00 H ATOM 606 N GLY A 462 38.308 -15.854 -8.684 1.00 67.75 N ATOM 607 CA GLY A 462 37.052 -15.823 -9.414 1.00 69.44 C ATOM 608 C GLY A 462 36.971 -14.667 -10.390 1.00 68.70 C ATOM 609 O GLY A 462 37.945 -14.343 -11.058 1.00 65.09 O ATOM 610 HA3 GLY A 462 36.235 -15.734 -8.698 1.00 0.00 H ATOM 611 HA2 GLY A 462 36.947 -16.756 -9.968 1.00 0.00 H ATOM 612 H GLY A 462 38.380 -15.359 -7.772 1.00 0.00 H ATOM 613 N LYS A 463 35.806 -14.036 -10.462 1.00 71.18 N ATOM 614 CA LYS A 463 35.633 -12.856 -11.294 1.00 72.36 C ATOM 615 C LYS A 463 36.553 -11.725 -10.850 1.00 70.13 C ATOM 616 O LYS A 463 36.641 -11.435 -9.665 1.00 69.45 O ATOM 617 CB LYS A 463 34.194 -12.363 -11.213 1.00 69.31 C ATOM 618 CG LYS A 463 33.947 -11.143 -12.073 1.00 68.84 C ATOM 619 CD LYS A 463 34.046 -11.501 -13.553 1.00 77.20 C ATOM 620 CE LYS A 463 33.690 -10.331 -14.460 1.00 74.37 C ATOM 621 NZ LYS A 463 33.607 -10.777 -15.875 1.00 87.80 N ATOM 622 HA LYS A 463 35.881 -13.140 -12.317 1.00 0.00 H ATOM 623 HB2 LYS A 463 33.532 -13.163 -11.543 1.00 0.00 H ATOM 624 HB3 LYS A 463 33.969 -12.111 -10.177 1.00 0.00 H ATOM 625 HG2 LYS A 463 32.951 -10.753 -11.864 1.00 0.00 H ATOM 626 HG3 LYS A 463 34.691 -10.382 -11.838 1.00 0.00 H ATOM 627 HD2 LYS A 463 35.067 -11.814 -13.770 1.00 0.00 H ATOM 628 HD3 LYS A 463 33.363 -12.325 -13.760 1.00 0.00 H ATOM 629 HE2 LYS A 463 34.456 -9.561 -14.370 1.00 0.00 H ATOM 630 HE3 LYS A 463 32.727 -9.921 -14.156 1.00 0.00 H ATOM 631 HZ1 LYS A 463 34.526 -11.166 -16.169 1.00 0.00 H ATOM 632 HZ2 LYS A 463 32.874 -11.510 -15.964 1.00 0.00 H ATOM 633 HZ3 LYS A 463 33.363 -9.966 -16.479 1.00 0.00 H ATOM 634 H LYS A 463 34.999 -14.393 -9.911 1.00 0.00 H ATOM 635 N VAL A 464 37.233 -11.097 -11.804 1.00 66.25 N ATOM 636 CA VAL A 464 37.994 -9.873 -11.556 1.00 68.63 C ATOM 637 C VAL A 464 37.394 -8.765 -12.400 1.00 67.12 C ATOM 638 O VAL A 464 37.052 -8.987 -13.558 1.00 69.66 O ATOM 639 CB VAL A 464 39.473 -10.009 -11.962 1.00 68.30 C ATOM 640 CG1 VAL A 464 40.187 -8.673 -11.820 1.00 67.05 C ATOM 641 CG2 VAL A 464 40.152 -11.046 -11.120 1.00 59.20 C ATOM 642 HA VAL A 464 37.946 -9.663 -10.488 1.00 0.00 H ATOM 643 HB VAL A 464 39.516 -10.321 -13.006 1.00 0.00 H ATOM 644 HG11 VAL A 464 39.708 -7.936 -12.464 1.00 0.00 H ATOM 645 HG12 VAL A 464 40.132 -8.341 -10.783 1.00 0.00 H ATOM 646 HG13 VAL A 464 41.231 -8.788 -12.111 1.00 0.00 H ATOM 647 HG21 VAL A 464 40.096 -10.754 -10.071 1.00 0.00 H ATOM 648 HG22 VAL A 464 39.655 -12.006 -11.258 1.00 0.00 H ATOM 649 HG23 VAL A 464 41.196 -11.129 -11.420 1.00 0.00 H ATOM 650 H VAL A 464 37.223 -11.492 -12.766 1.00 0.00 H ATOM 651 N ALA A 465 37.251 -7.581 -11.822 1.00 61.16 N ATOM 652 CA ALA A 465 36.707 -6.447 -12.564 1.00 64.62 C ATOM 653 C ALA A 465 37.425 -5.147 -12.229 1.00 66.30 C ATOM 654 O ALA A 465 37.610 -4.797 -11.060 1.00 64.98 O ATOM 655 CB ALA A 465 35.233 -6.298 -12.298 1.00 60.14 C ATOM 656 HA ALA A 465 36.865 -6.653 -13.623 1.00 0.00 H ATOM 657 HB1 ALA A 465 34.715 -7.205 -12.609 1.00 0.00 H ATOM 658 HB2 ALA A 465 35.072 -6.134 -11.233 1.00 0.00 H ATOM 659 HB3 ALA A 465 34.848 -5.447 -12.860 1.00 0.00 H ATOM 660 H ALA A 465 37.530 -7.458 -10.828 1.00 0.00 H ATOM 661 N GLU A 466 37.808 -4.426 -13.272 1.00 67.58 N ATOM 662 CA GLU A 466 38.575 -3.208 -13.116 1.00 63.70 C ATOM 663 C GLU A 466 37.672 -2.055 -12.677 1.00 68.12 C ATOM 664 O GLU A 466 36.524 -1.938 -13.109 1.00 72.26 O ATOM 665 CB GLU A 466 39.262 -2.885 -14.438 1.00 62.91 C ATOM 666 CG GLU A 466 40.405 -1.886 -14.342 1.00 72.43 C ATOM 667 CD GLU A 466 41.154 -1.738 -15.661 1.00 78.86 C ATOM 668 OE1 GLU A 466 42.273 -1.194 -15.642 1.00 81.47 O ATOM 669 OE2 GLU A 466 40.629 -2.174 -16.715 1.00 87.97 O ATOM 670 HA GLU A 466 39.329 -3.348 -12.342 1.00 0.00 H ATOM 671 HB2 GLU A 466 39.658 -3.814 -14.849 1.00 0.00 H ATOM 672 HB3 GLU A 466 38.513 -2.478 -15.118 1.00 0.00 H ATOM 673 HG2 GLU A 466 40.000 -0.915 -14.057 1.00 0.00 H ATOM 674 HG3 GLU A 466 41.104 -2.225 -13.577 1.00 0.00 H ATOM 675 H GLU A 466 37.551 -4.743 -14.228 1.00 0.00 H ATOM 676 N ALA A 467 38.198 -1.214 -11.799 1.00 63.85 N ATOM 677 CA ALA A 467 37.482 -0.026 -11.364 1.00 67.47 C ATOM 678 C ALA A 467 38.413 1.174 -11.422 1.00 60.04 C ATOM 679 O ALA A 467 39.615 1.017 -11.610 1.00 64.42 O ATOM 680 CB ALA A 467 36.953 -0.215 -9.953 1.00 66.01 C ATOM 681 HA ALA A 467 36.634 0.145 -12.027 1.00 0.00 H ATOM 682 HB1 ALA A 467 36.274 -1.067 -9.932 1.00 0.00 H ATOM 683 HB2 ALA A 467 37.787 -0.396 -9.275 1.00 0.00 H ATOM 684 HB3 ALA A 467 36.420 0.684 -9.643 1.00 0.00 H ATOM 685 H ALA A 467 39.144 -1.408 -11.412 1.00 0.00 H ATOM 686 N GLU A 468 37.854 2.364 -11.253 1.00 59.79 N ATOM 687 CA GLU A 468 38.629 3.604 -11.298 1.00 67.86 C ATOM 688 C GLU A 468 39.821 3.633 -10.356 1.00 72.24 C ATOM 689 O GLU A 468 40.856 4.204 -10.692 1.00 75.97 O ATOM 690 CB GLU A 468 37.739 4.805 -10.997 1.00 67.78 C ATOM 691 CG GLU A 468 36.916 5.240 -12.181 1.00 84.46 C ATOM 692 CD GLU A 468 35.815 6.207 -11.806 1.00107.43 C ATOM 693 OE1 GLU A 468 34.672 5.986 -12.255 1.00113.28 O ATOM 694 OE2 GLU A 468 36.091 7.187 -11.075 1.00121.47 O ATOM 695 HA GLU A 468 39.023 3.653 -12.313 1.00 0.00 H ATOM 696 HB2 GLU A 468 37.064 4.542 -10.182 1.00 0.00 H ATOM 697 HB3 GLU A 468 38.371 5.638 -10.689 1.00 0.00 H ATOM 698 HG2 GLU A 468 37.573 5.723 -12.904 1.00 0.00 H ATOM 699 HG3 GLU A 468 36.465 4.358 -12.635 1.00 0.00 H ATOM 700 H GLU A 468 36.829 2.418 -11.083 1.00 0.00 H ATOM 701 N GLY A 469 39.672 3.026 -9.181 1.00 70.08 N ATOM 702 CA GLY A 469 40.707 3.076 -8.161 1.00 70.43 C ATOM 703 C GLY A 469 41.485 1.778 -7.980 1.00 72.46 C ATOM 704 O GLY A 469 42.318 1.667 -7.089 1.00 80.69 O ATOM 705 HA3 GLY A 469 40.236 3.325 -7.210 1.00 0.00 H ATOM 706 HA2 GLY A 469 41.413 3.861 -8.432 1.00 0.00 H ATOM 707 H GLY A 469 38.794 2.503 -8.988 1.00 0.00 H ATOM 708 N GLY A 470 41.214 0.784 -8.817 1.00 64.39 N ATOM 709 CA GLY A 470 41.957 -0.463 -8.758 1.00 56.05 C ATOM 710 C GLY A 470 41.145 -1.599 -9.340 1.00 59.18 C ATOM 711 O GLY A 470 40.453 -1.442 -10.349 1.00 69.27 O ATOM 712 HA3 GLY A 470 42.195 -0.689 -7.719 1.00 0.00 H ATOM 713 HA2 GLY A 470 42.881 -0.356 -9.326 1.00 0.00 H ATOM 714 H GLY A 470 40.460 0.899 -9.524 1.00 0.00 H ATOM 715 N PHE A 471 41.213 -2.752 -8.693 1.00 61.44 N ATOM 716 CA PHE A 471 40.448 -3.895 -9.149 1.00 61.91 C ATOM 717 C PHE A 471 39.634 -4.503 -8.024 1.00 66.94 C ATOM 718 O PHE A 471 40.076 -4.530 -6.871 1.00 65.68 O ATOM 719 CB PHE A 471 41.386 -4.962 -9.680 1.00 58.47 C ATOM 720 CG PHE A 471 42.014 -4.630 -10.990 1.00 61.08 C ATOM 721 CD1 PHE A 471 43.157 -3.846 -11.047 1.00 62.53 C ATOM 722 CD2 PHE A 471 41.482 -5.128 -12.166 1.00 57.94 C ATOM 723 CE1 PHE A 471 43.753 -3.561 -12.261 1.00 59.53 C ATOM 724 CE2 PHE A 471 42.072 -4.842 -13.391 1.00 61.07 C ATOM 725 CZ PHE A 471 43.205 -4.060 -13.441 1.00 60.57 C ATOM 726 HA PHE A 471 39.774 -3.546 -9.931 1.00 0.00 H ATOM 727 HB2 PHE A 471 42.180 -5.113 -8.949 1.00 0.00 H ATOM 728 HB3 PHE A 471 40.821 -5.887 -9.797 1.00 0.00 H ATOM 729 HD2 PHE A 471 40.589 -5.752 -12.131 1.00 0.00 H ATOM 730 HE2 PHE A 471 41.639 -5.236 -14.311 1.00 0.00 H ATOM 731 HZ PHE A 471 43.671 -3.832 -14.400 1.00 0.00 H ATOM 732 HE1 PHE A 471 44.652 -2.946 -12.295 1.00 0.00 H ATOM 733 HD1 PHE A 471 43.589 -3.452 -10.127 1.00 0.00 H ATOM 734 H PHE A 471 41.819 -2.838 -7.852 1.00 0.00 H ATOM 735 N TYR A 472 38.444 -4.989 -8.362 1.00 62.23 N ATOM 736 CA TYR A 472 37.717 -5.879 -7.471 1.00 51.90 C ATOM 737 C TYR A 472 38.016 -7.289 -7.934 1.00 66.55 C ATOM 738 O TYR A 472 38.069 -7.548 -9.149 1.00 62.75 O ATOM 739 CB TYR A 472 36.218 -5.633 -7.533 1.00 52.57 C ATOM 740 CG TYR A 472 35.797 -4.335 -6.910 1.00 63.04 C ATOM 741 CD1 TYR A 472 35.598 -4.236 -5.546 1.00 62.45 C ATOM 742 CD2 TYR A 472 35.606 -3.198 -7.690 1.00 65.03 C ATOM 743 CE1 TYR A 472 35.207 -3.032 -4.971 1.00 73.92 C ATOM 744 CE2 TYR A 472 35.225 -2.003 -7.126 1.00 69.45 C ATOM 745 CZ TYR A 472 35.023 -1.926 -5.770 1.00 75.25 C ATOM 746 OH TYR A 472 34.640 -0.736 -5.217 1.00 83.55 O ATOM 747 HA TYR A 472 38.027 -5.710 -6.440 1.00 0.00 H ATOM 748 HB3 TYR A 472 35.713 -6.446 -7.011 1.00 0.00 H ATOM 749 HB2 TYR A 472 35.912 -5.629 -8.579 1.00 0.00 H ATOM 750 HD2 TYR A 472 35.761 -3.256 -8.767 1.00 0.00 H ATOM 751 HE2 TYR A 472 35.084 -1.122 -7.752 1.00 0.00 H ATOM 752 HE1 TYR A 472 35.047 -2.964 -3.895 1.00 0.00 H ATOM 753 HD1 TYR A 472 35.749 -5.111 -4.914 1.00 0.00 H ATOM 754 HH TYR A 472 34.537 -0.846 -4.239 1.00 0.00 H ATOM 755 H TYR A 472 38.026 -4.729 -9.278 1.00 0.00 H ATOM 756 N VAL A 473 38.225 -8.191 -6.974 1.00 60.55 N ATOM 757 CA VAL A 473 38.543 -9.587 -7.289 1.00 57.86 C ATOM 758 C VAL A 473 37.852 -10.541 -6.315 1.00 57.85 C ATOM 759 O VAL A 473 37.835 -10.307 -5.107 1.00 69.19 O ATOM 760 CB VAL A 473 40.068 -9.822 -7.270 1.00 56.84 C ATOM 761 CG1 VAL A 473 40.682 -9.182 -6.046 1.00 59.38 C ATOM 762 CG2 VAL A 473 40.390 -11.299 -7.301 1.00 69.13 C ATOM 763 HA VAL A 473 38.172 -9.791 -8.293 1.00 0.00 H ATOM 764 HB VAL A 473 40.492 -9.361 -8.162 1.00 0.00 H ATOM 765 HG11 VAL A 473 40.487 -8.110 -6.062 1.00 0.00 H ATOM 766 HG12 VAL A 473 40.243 -9.620 -5.150 1.00 0.00 H ATOM 767 HG13 VAL A 473 41.758 -9.357 -6.047 1.00 0.00 H ATOM 768 HG21 VAL A 473 39.950 -11.784 -6.429 1.00 0.00 H ATOM 769 HG22 VAL A 473 39.979 -11.740 -8.209 1.00 0.00 H ATOM 770 HG23 VAL A 473 41.471 -11.434 -7.287 1.00 0.00 H ATOM 771 H VAL A 473 38.161 -7.897 -5.978 1.00 0.00 H ATOM 772 N ASP A 474 37.267 -11.608 -6.836 1.00 63.56 N ATOM 773 CA ASP A 474 36.594 -12.578 -5.979 1.00 60.94 C ATOM 774 C ASP A 474 37.576 -13.624 -5.444 1.00 58.41 C ATOM 775 O ASP A 474 38.388 -14.164 -6.191 1.00 60.11 O ATOM 776 CB ASP A 474 35.427 -13.246 -6.723 1.00 65.51 C ATOM 777 CG ASP A 474 34.170 -12.367 -6.776 1.00 74.62 C ATOM 778 OD1 ASP A 474 34.064 -11.407 -5.980 1.00 75.31 O ATOM 779 OD2 ASP A 474 33.275 -12.647 -7.604 1.00 86.02 O ATOM 780 HA ASP A 474 36.187 -12.041 -5.122 1.00 0.00 H ATOM 781 HB2 ASP A 474 35.743 -13.463 -7.743 1.00 0.00 H ATOM 782 HB3 ASP A 474 35.179 -14.178 -6.215 1.00 0.00 H ATOM 783 H ASP A 474 37.287 -11.756 -7.865 1.00 0.00 H ATOM 784 N LEU A 475 37.509 -13.900 -4.146 1.00 59.58 N ATOM 785 CA LEU A 475 38.328 -14.956 -3.570 1.00 61.07 C ATOM 786 C LEU A 475 37.472 -15.893 -2.723 1.00 68.16 C ATOM 787 O LEU A 475 36.312 -15.598 -2.410 1.00 65.88 O ATOM 788 CB LEU A 475 39.460 -14.357 -2.734 1.00 54.11 C ATOM 789 CG LEU A 475 40.466 -13.482 -3.489 1.00 60.78 C ATOM 790 CD1 LEU A 475 41.399 -12.760 -2.537 1.00 61.09 C ATOM 791 CD2 LEU A 475 41.252 -14.314 -4.507 1.00 60.71 C ATOM 792 HA LEU A 475 38.769 -15.535 -4.382 1.00 0.00 H ATOM 793 HB2 LEU A 475 39.009 -13.747 -1.951 1.00 0.00 H ATOM 794 HB3 LEU A 475 40.010 -15.181 -2.279 1.00 0.00 H ATOM 795 HG LEU A 475 39.904 -12.722 -4.032 1.00 0.00 H ATOM 796 HD21 LEU A 475 41.793 -15.105 -3.988 1.00 0.00 H ATOM 797 HD22 LEU A 475 40.561 -14.756 -5.225 1.00 0.00 H ATOM 798 HD23 LEU A 475 41.960 -13.671 -5.031 1.00 0.00 H ATOM 799 HD11 LEU A 475 40.816 -12.122 -1.873 1.00 0.00 H ATOM 800 HD12 LEU A 475 41.952 -13.491 -1.947 1.00 0.00 H ATOM 801 HD13 LEU A 475 42.098 -12.149 -3.109 1.00 0.00 H ATOM 802 H LEU A 475 36.865 -13.356 -3.536 1.00 0.00 H ATOM 803 N ARG A 476 38.040 -17.027 -2.351 1.00 63.61 N ATOM 804 CA ARG A 476 37.311 -17.937 -1.488 1.00 72.97 C ATOM 805 C ARG A 476 37.176 -17.363 -0.077 1.00 82.11 C ATOM 806 O ARG A 476 38.130 -16.823 0.478 1.00 84.83 O ATOM 807 CB ARG A 476 37.976 -19.312 -1.462 1.00 76.22 C ATOM 808 CG ARG A 476 37.953 -20.014 -2.810 1.00 88.77 C ATOM 809 CD ARG A 476 36.550 -20.016 -3.383 1.00 84.98 C ATOM 810 NE ARG A 476 36.365 -21.037 -4.412 1.00 82.34 N ATOM 811 CZ ARG A 476 35.186 -21.337 -4.956 1.00 91.71 C ATOM 812 NH1 ARG A 476 34.090 -20.698 -4.563 1.00105.19 N ATOM 813 NH2 ARG A 476 35.093 -22.276 -5.887 1.00 81.56 N ATOM 814 HA ARG A 476 36.307 -18.058 -1.895 1.00 0.00 H ATOM 815 HB2 ARG A 476 39.014 -19.189 -1.153 1.00 0.00 H ATOM 816 HB3 ARG A 476 37.453 -19.936 -0.737 1.00 0.00 H ATOM 817 HG2 ARG A 476 38.621 -19.494 -3.497 1.00 0.00 H ATOM 818 HG3 ARG A 476 38.291 -21.043 -2.685 1.00 0.00 H ATOM 819 HD2 ARG A 476 36.350 -19.038 -3.821 1.00 0.00 H ATOM 820 HD3 ARG A 476 35.843 -20.202 -2.575 1.00 0.00 H ATOM 821 HE ARG A 476 37.202 -21.560 -4.739 1.00 0.00 H ATOM 822 HH12 ARG A 476 33.170 -20.933 -4.988 1.00 0.00 H ATOM 823 HH11 ARG A 476 34.151 -19.963 -3.830 1.00 0.00 H ATOM 824 HH22 ARG A 476 34.169 -22.503 -6.306 1.00 0.00 H ATOM 825 HH21 ARG A 476 35.944 -22.785 -6.199 1.00 0.00 H ATOM 826 H ARG A 476 39.000 -17.264 -2.674 1.00 0.00 H ATOM 827 N PRO A 477 35.975 -17.480 0.502 1.00 85.40 N ATOM 828 CA PRO A 477 35.628 -16.973 1.834 1.00 83.75 C ATOM 829 C PRO A 477 36.523 -17.518 2.950 1.00 87.46 C ATOM 830 O PRO A 477 36.758 -16.819 3.934 1.00 97.39 O ATOM 831 CB PRO A 477 34.191 -17.470 2.028 1.00 91.87 C ATOM 832 CG PRO A 477 33.665 -17.645 0.650 1.00 92.46 C ATOM 833 CD PRO A 477 34.829 -18.136 -0.148 1.00 89.71 C ATOM 834 HA PRO A 477 35.751 -15.891 1.889 1.00 0.00 H ATOM 835 HD3 PRO A 477 34.914 -19.221 -0.091 1.00 0.00 H ATOM 836 HD2 PRO A 477 34.744 -17.834 -1.192 1.00 0.00 H ATOM 837 HG3 PRO A 477 33.302 -16.696 0.255 1.00 0.00 H ATOM 838 HG2 PRO A 477 32.856 -18.376 0.638 1.00 0.00 H ATOM 839 HB2 PRO A 477 34.181 -18.417 2.567 1.00 0.00 H ATOM 840 HB3 PRO A 477 33.600 -16.735 2.575 1.00 0.00 H ATOM 841 N GLU A 478 37.015 -18.744 2.805 1.00 85.76 N ATOM 842 CA GLU A 478 37.887 -19.333 3.824 1.00 88.92 C ATOM 843 C GLU A 478 39.362 -18.943 3.621 1.00 82.44 C ATOM 844 O GLU A 478 40.196 -19.148 4.500 1.00 85.26 O ATOM 845 CB GLU A 478 37.711 -20.864 3.894 1.00101.02 C ATOM 846 CG GLU A 478 38.247 -21.662 2.682 1.00109.99 C ATOM 847 CD GLU A 478 37.373 -21.572 1.422 1.00102.82 C ATOM 848 OE1 GLU A 478 36.329 -20.879 1.442 1.00104.05 O ATOM 849 OE2 GLU A 478 37.741 -22.204 0.404 1.00 91.05 O ATOM 850 HA GLU A 478 37.581 -18.919 4.785 1.00 0.00 H ATOM 851 HB2 GLU A 478 38.230 -21.220 4.784 1.00 0.00 H ATOM 852 HB3 GLU A 478 36.646 -21.074 3.988 1.00 0.00 H ATOM 853 HG2 GLU A 478 39.239 -21.283 2.436 1.00 0.00 H ATOM 854 HG3 GLU A 478 38.322 -22.710 2.971 1.00 0.00 H ATOM 855 H GLU A 478 36.777 -19.294 1.955 1.00 0.00 H ATOM 856 N ALA A 479 39.680 -18.380 2.461 1.00 80.32 N ATOM 857 CA ALA A 479 41.040 -17.933 2.212 1.00 80.72 C ATOM 858 C ALA A 479 41.331 -16.689 3.029 1.00 87.12 C ATOM 859 O ALA A 479 40.453 -15.844 3.246 1.00 87.35 O ATOM 860 CB ALA A 479 41.261 -17.665 0.738 1.00 70.47 C ATOM 861 HA ALA A 479 41.726 -18.724 2.514 1.00 0.00 H ATOM 862 HB1 ALA A 479 41.084 -18.580 0.173 1.00 0.00 H ATOM 863 HB2 ALA A 479 40.571 -16.891 0.403 1.00 0.00 H ATOM 864 HB3 ALA A 479 42.287 -17.332 0.580 1.00 0.00 H ATOM 865 H ALA A 479 38.953 -18.259 1.728 1.00 0.00 H ATOM 866 N ARG A 480 42.567 -16.602 3.498 1.00 92.58 N ATOM 867 CA ARG A 480 43.047 -15.427 4.216 1.00 94.83 C ATOM 868 C ARG A 480 44.252 -14.870 3.453 1.00 84.43 C ATOM 869 O ARG A 480 45.397 -15.243 3.706 1.00 90.96 O ATOM 870 CB ARG A 480 43.393 -15.775 5.669 1.00 90.60 C ATOM 871 CG ARG A 480 42.765 -14.825 6.676 1.00100.17 C ATOM 872 CD ARG A 480 42.504 -15.493 8.018 1.00108.84 C ATOM 873 NE ARG A 480 41.935 -16.838 7.899 1.00121.07 N ATOM 874 CZ ARG A 480 40.706 -17.112 7.464 1.00131.04 C ATOM 875 NH1 ARG A 480 40.293 -18.373 7.407 1.00133.97 N ATOM 876 NH2 ARG A 480 39.889 -16.138 7.078 1.00135.39 N ATOM 877 HA ARG A 480 42.269 -14.665 4.265 1.00 0.00 H ATOM 878 HB2 ARG A 480 43.040 -16.785 5.878 1.00 0.00 H ATOM 879 HB3 ARG A 480 44.476 -15.739 5.786 1.00 0.00 H ATOM 880 HG2 ARG A 480 43.438 -13.982 6.829 1.00 0.00 H ATOM 881 HG3 ARG A 480 41.818 -14.464 6.274 1.00 0.00 H ATOM 882 HD2 ARG A 480 41.809 -14.872 8.584 1.00 0.00 H ATOM 883 HD3 ARG A 480 43.448 -15.564 8.558 1.00 0.00 H ATOM 884 HE ARG A 480 42.537 -17.640 8.175 1.00 0.00 H ATOM 885 HH12 ARG A 480 39.334 -18.591 7.068 1.00 0.00 H ATOM 886 HH11 ARG A 480 40.928 -19.142 7.701 1.00 0.00 H ATOM 887 HH22 ARG A 480 38.932 -16.365 6.740 1.00 0.00 H ATOM 888 HH21 ARG A 480 40.207 -15.148 7.113 1.00 0.00 H ATOM 889 H ARG A 480 43.218 -17.400 3.349 1.00 0.00 H ATOM 890 N PRO A 481 43.981 -13.981 2.499 1.00 73.56 N ATOM 891 CA PRO A 481 44.949 -13.575 1.472 1.00 82.20 C ATOM 892 C PRO A 481 45.928 -12.511 1.935 1.00 82.60 C ATOM 893 O PRO A 481 45.515 -11.462 2.410 1.00 91.57 O ATOM 894 CB PRO A 481 44.055 -13.008 0.368 1.00 73.01 C ATOM 895 CG PRO A 481 42.870 -12.465 1.109 1.00 74.18 C ATOM 896 CD PRO A 481 42.675 -13.318 2.336 1.00 67.16 C ATOM 897 HA PRO A 481 45.580 -14.413 1.174 1.00 0.00 H ATOM 898 HD3 PRO A 481 42.437 -12.704 3.205 1.00 0.00 H ATOM 899 HD2 PRO A 481 41.882 -14.050 2.181 1.00 0.00 H ATOM 900 HG3 PRO A 481 41.982 -12.511 0.478 1.00 0.00 H ATOM 901 HG2 PRO A 481 43.054 -11.431 1.400 1.00 0.00 H ATOM 902 HB2 PRO A 481 44.567 -12.216 -0.179 1.00 0.00 H ATOM 903 HB3 PRO A 481 43.753 -13.791 -0.328 1.00 0.00 H ATOM 904 N GLU A 482 47.216 -12.798 1.805 1.00 89.77 N ATOM 905 CA GLU A 482 48.255 -11.805 2.030 1.00 96.27 C ATOM 906 C GLU A 482 49.149 -11.815 0.807 1.00 95.25 C ATOM 907 O GLU A 482 49.707 -12.849 0.446 1.00110.32 O ATOM 908 CB GLU A 482 49.089 -12.137 3.268 1.00106.81 C ATOM 909 CG GLU A 482 48.346 -12.089 4.599 1.00128.52 C ATOM 910 CD GLU A 482 49.258 -12.391 5.791 1.00152.68 C ATOM 911 OE1 GLU A 482 50.455 -12.023 5.744 1.00164.90 O ATOM 912 OE2 GLU A 482 48.780 -13.000 6.775 1.00157.23 O ATOM 913 HA GLU A 482 47.801 -10.828 2.194 1.00 0.00 H ATOM 914 HB2 GLU A 482 49.488 -13.144 3.143 1.00 0.00 H ATOM 915 HB3 GLU A 482 49.913 -11.425 3.318 1.00 0.00 H ATOM 916 HG2 GLU A 482 47.921 -11.093 4.727 1.00 0.00 H ATOM 917 HG3 GLU A 482 47.543 -12.825 4.578 1.00 0.00 H ATOM 918 H GLU A 482 47.492 -13.763 1.534 1.00 0.00 H ATOM 919 N VAL A 483 49.271 -10.671 0.153 1.00 76.29 N ATOM 920 CA VAL A 483 50.085 -10.578 -1.043 1.00 74.26 C ATOM 921 C VAL A 483 50.962 -9.348 -0.965 1.00 72.61 C ATOM 922 O VAL A 483 50.454 -8.236 -1.059 1.00 77.48 O ATOM 923 CB VAL A 483 49.207 -10.440 -2.298 1.00 78.47 C ATOM 924 CG1 VAL A 483 50.064 -10.477 -3.554 1.00 82.21 C ATOM 925 CG2 VAL A 483 48.166 -11.535 -2.333 1.00 90.09 C ATOM 926 HA VAL A 483 50.684 -11.487 -1.109 1.00 0.00 H ATOM 927 HB VAL A 483 48.696 -9.478 -2.260 1.00 0.00 H ATOM 928 HG11 VAL A 483 50.779 -9.655 -3.529 1.00 0.00 H ATOM 929 HG12 VAL A 483 50.600 -11.425 -3.599 1.00 0.00 H ATOM 930 HG13 VAL A 483 49.425 -10.378 -4.431 1.00 0.00 H ATOM 931 HG21 VAL A 483 48.662 -12.506 -2.350 1.00 0.00 H ATOM 932 HG22 VAL A 483 47.535 -11.463 -1.447 1.00 0.00 H ATOM 933 HG23 VAL A 483 47.553 -11.423 -3.227 1.00 0.00 H ATOM 934 H VAL A 483 48.775 -9.826 0.502 1.00 0.00 H ATOM 935 N ALA A 484 52.271 -9.543 -0.818 1.00 74.08 N ATOM 936 CA ALA A 484 53.217 -8.428 -0.737 1.00 79.77 C ATOM 937 C ALA A 484 53.112 -7.541 -1.975 1.00 80.73 C ATOM 938 O ALA A 484 52.927 -8.047 -3.075 1.00 83.56 O ATOM 939 CB ALA A 484 54.627 -8.944 -0.565 1.00 68.06 C ATOM 940 HA ALA A 484 52.964 -7.824 0.134 1.00 0.00 H ATOM 941 HB1 ALA A 484 54.689 -9.530 0.352 1.00 0.00 H ATOM 942 HB2 ALA A 484 54.889 -9.571 -1.417 1.00 0.00 H ATOM 943 HB3 ALA A 484 55.316 -8.102 -0.507 1.00 0.00 H ATOM 944 H ALA A 484 52.632 -10.516 -0.759 1.00 0.00 H ATOM 945 N GLY A 485 53.194 -6.222 -1.787 1.00 74.76 N ATOM 946 CA GLY A 485 52.963 -5.268 -2.870 1.00 68.09 C ATOM 947 C GLY A 485 51.517 -4.843 -3.143 1.00 63.22 C ATOM 948 O GLY A 485 51.275 -3.976 -3.961 1.00 84.40 O ATOM 949 HA3 GLY A 485 53.351 -5.714 -3.786 1.00 0.00 H ATOM 950 HA2 GLY A 485 53.530 -4.367 -2.638 1.00 0.00 H ATOM 951 H GLY A 485 53.430 -5.862 -0.840 1.00 0.00 H ATOM 952 N LEU A 486 50.549 -5.454 -2.472 1.00 63.14 N ATOM 953 CA LEU A 486 49.140 -5.115 -2.672 1.00 66.79 C ATOM 954 C LEU A 486 48.417 -4.882 -1.355 1.00 76.04 C ATOM 955 O LEU A 486 48.756 -5.487 -0.332 1.00 70.11 O ATOM 956 CB LEU A 486 48.417 -6.252 -3.378 1.00 75.51 C ATOM 957 CG LEU A 486 48.690 -6.379 -4.861 1.00 83.32 C ATOM 958 CD1 LEU A 486 47.748 -7.404 -5.425 1.00 79.11 C ATOM 959 CD2 LEU A 486 48.487 -5.035 -5.498 1.00 92.12 C ATOM 960 HA LEU A 486 49.126 -4.202 -3.268 1.00 0.00 H ATOM 961 HB2 LEU A 486 48.714 -7.186 -2.901 1.00 0.00 H ATOM 962 HB3 LEU A 486 47.346 -6.102 -3.246 1.00 0.00 H ATOM 963 HG LEU A 486 49.713 -6.701 -5.056 1.00 0.00 H ATOM 964 HD21 LEU A 486 47.460 -4.708 -5.334 1.00 0.00 H ATOM 965 HD22 LEU A 486 49.174 -4.316 -5.052 1.00 0.00 H ATOM 966 HD23 LEU A 486 48.680 -5.109 -6.568 1.00 0.00 H ATOM 967 HD11 LEU A 486 47.915 -8.360 -4.929 1.00 0.00 H ATOM 968 HD12 LEU A 486 46.720 -7.081 -5.259 1.00 0.00 H ATOM 969 HD13 LEU A 486 47.928 -7.511 -6.495 1.00 0.00 H ATOM 970 H LEU A 486 50.799 -6.194 -1.785 1.00 0.00 H ATOM 971 N ARG A 487 47.397 -4.030 -1.382 1.00 73.29 N ATOM 972 CA ARG A 487 46.511 -3.928 -0.237 1.00 70.27 C ATOM 973 C ARG A 487 45.204 -4.625 -0.605 1.00 66.28 C ATOM 974 O ARG A 487 44.639 -4.373 -1.661 1.00 68.56 O ATOM 975 CB ARG A 487 46.287 -2.464 0.182 1.00 57.49 C ATOM 976 CG ARG A 487 45.555 -2.315 1.523 1.00 60.23 C ATOM 977 CD ARG A 487 45.514 -0.873 1.971 1.00 68.20 C ATOM 978 NE ARG A 487 44.842 -0.044 0.970 1.00 78.17 N ATOM 979 CZ ARG A 487 43.569 0.341 1.034 1.00 75.44 C ATOM 980 NH1 ARG A 487 43.059 1.086 0.059 1.00 67.86 N ATOM 981 NH2 ARG A 487 42.813 -0.003 2.076 1.00 77.10 N ATOM 982 HA ARG A 487 46.959 -4.413 0.630 1.00 0.00 H ATOM 983 HB2 ARG A 487 47.258 -1.976 0.263 1.00 0.00 H ATOM 984 HB3 ARG A 487 45.697 -1.970 -0.590 1.00 0.00 H ATOM 985 HG2 ARG A 487 44.534 -2.682 1.413 1.00 0.00 H ATOM 986 HG3 ARG A 487 46.073 -2.907 2.278 1.00 0.00 H ATOM 987 HD2 ARG A 487 46.533 -0.512 2.111 1.00 0.00 H ATOM 988 HD3 ARG A 487 44.973 -0.806 2.915 1.00 0.00 H ATOM 989 HE ARG A 487 45.399 0.267 0.149 1.00 0.00 H ATOM 990 HH12 ARG A 487 42.065 1.390 0.102 1.00 0.00 H ATOM 991 HH11 ARG A 487 43.653 1.365 -0.748 1.00 0.00 H ATOM 992 HH22 ARG A 487 41.819 0.301 2.120 1.00 0.00 H ATOM 993 HH21 ARG A 487 43.217 -0.575 2.845 1.00 0.00 H ATOM 994 H ARG A 487 47.234 -3.438 -2.221 1.00 0.00 H ATOM 995 N LEU A 488 44.741 -5.520 0.257 1.00 70.82 N ATOM 996 CA LEU A 488 43.484 -6.228 0.028 1.00 69.53 C ATOM 997 C LEU A 488 42.530 -5.992 1.188 1.00 67.09 C ATOM 998 O LEU A 488 42.924 -6.048 2.348 1.00 88.03 O ATOM 999 CB LEU A 488 43.738 -7.724 -0.099 1.00 65.00 C ATOM 1000 CG LEU A 488 44.378 -8.182 -1.388 1.00 59.24 C ATOM 1001 CD1 LEU A 488 44.705 -9.668 -1.317 1.00 67.66 C ATOM 1002 CD2 LEU A 488 43.374 -7.917 -2.448 1.00 55.78 C ATOM 1003 HA LEU A 488 43.043 -5.850 -0.894 1.00 0.00 H ATOM 1004 HB2 LEU A 488 44.391 -8.022 0.722 1.00 0.00 H ATOM 1005 HB3 LEU A 488 42.780 -8.234 -0.003 1.00 0.00 H ATOM 1006 HG LEU A 488 45.314 -7.660 -1.584 1.00 0.00 H ATOM 1007 HD21 LEU A 488 42.465 -8.479 -2.234 1.00 0.00 H ATOM 1008 HD22 LEU A 488 43.147 -6.851 -2.473 1.00 0.00 H ATOM 1009 HD23 LEU A 488 43.775 -8.227 -3.413 1.00 0.00 H ATOM 1010 HD11 LEU A 488 45.395 -9.848 -0.493 1.00 0.00 H ATOM 1011 HD12 LEU A 488 43.787 -10.233 -1.154 1.00 0.00 H ATOM 1012 HD13 LEU A 488 45.166 -9.983 -2.253 1.00 0.00 H ATOM 1013 H LEU A 488 45.287 -5.723 1.119 1.00 0.00 H ATOM 1014 N GLU A 489 41.280 -5.709 0.869 1.00 61.93 N ATOM 1015 CA GLU A 489 40.258 -5.520 1.885 1.00 75.66 C ATOM 1016 C GLU A 489 38.919 -5.980 1.314 1.00 75.81 C ATOM 1017 O GLU A 489 38.639 -5.730 0.139 1.00 78.52 O ATOM 1018 CB GLU A 489 40.191 -4.049 2.339 1.00 82.95 C ATOM 1019 CG GLU A 489 39.743 -3.044 1.263 1.00104.06 C ATOM 1020 CD GLU A 489 39.433 -1.645 1.817 1.00128.78 C ATOM 1021 OE1 GLU A 489 39.337 -1.477 3.060 1.00133.46 O ATOM 1022 OE2 GLU A 489 39.285 -0.711 0.994 1.00132.06 O ATOM 1023 HA GLU A 489 40.504 -6.112 2.766 1.00 0.00 H ATOM 1024 HB2 GLU A 489 39.490 -3.986 3.171 1.00 0.00 H ATOM 1025 HB3 GLU A 489 41.184 -3.757 2.679 1.00 0.00 H ATOM 1026 HG2 GLU A 489 40.539 -2.953 0.524 1.00 0.00 H ATOM 1027 HG3 GLU A 489 38.845 -3.431 0.782 1.00 0.00 H ATOM 1028 H GLU A 489 41.021 -5.619 -0.134 1.00 0.00 H ATOM 1029 N PRO A 490 38.096 -6.656 2.138 1.00 77.84 N ATOM 1030 CA PRO A 490 36.751 -7.074 1.723 1.00 73.19 C ATOM 1031 C PRO A 490 35.973 -5.856 1.257 1.00 76.04 C ATOM 1032 O PRO A 490 35.953 -4.834 1.941 1.00 80.88 O ATOM 1033 CB PRO A 490 36.111 -7.596 3.019 1.00 78.55 C ATOM 1034 CG PRO A 490 37.228 -7.773 3.977 1.00 81.44 C ATOM 1035 CD PRO A 490 38.284 -6.786 3.592 1.00 86.74 C ATOM 1036 HA PRO A 490 36.764 -7.808 0.918 1.00 0.00 H ATOM 1037 HD3 PRO A 490 38.131 -5.831 4.095 1.00 0.00 H ATOM 1038 HD2 PRO A 490 39.279 -7.164 3.827 1.00 0.00 H ATOM 1039 HG3 PRO A 490 37.621 -8.788 3.914 1.00 0.00 H ATOM 1040 HG2 PRO A 490 36.886 -7.580 4.994 1.00 0.00 H ATOM 1041 HB2 PRO A 490 35.390 -6.875 3.404 1.00 0.00 H ATOM 1042 HB3 PRO A 490 35.610 -8.547 2.839 1.00 0.00 H ATOM 1043 N ALA A 491 35.354 -5.952 0.092 1.00 70.19 N ATOM 1044 CA ALA A 491 34.648 -4.813 -0.438 1.00 74.61 C ATOM 1045 C ALA A 491 33.343 -4.677 0.316 1.00 88.84 C ATOM 1046 O ALA A 491 32.633 -5.657 0.529 1.00 93.10 O ATOM 1047 CB ALA A 491 34.400 -4.992 -1.922 1.00 83.54 C ATOM 1048 HA ALA A 491 35.241 -3.907 -0.313 1.00 0.00 H ATOM 1049 HB1 ALA A 491 35.354 -5.092 -2.439 1.00 0.00 H ATOM 1050 HB2 ALA A 491 33.802 -5.889 -2.084 1.00 0.00 H ATOM 1051 HB3 ALA A 491 33.866 -4.123 -2.307 1.00 0.00 H ATOM 1052 H ALA A 491 35.377 -6.846 -0.439 1.00 0.00 H ATOM 1053 N ARG A 492 33.035 -3.464 0.743 1.00 94.25 N ATOM 1054 CA ARG A 492 31.751 -3.229 1.361 1.00114.55 C ATOM 1055 C ARG A 492 30.764 -2.902 0.245 1.00111.36 C ATOM 1056 O ARG A 492 29.808 -3.638 0.026 1.00112.50 O ATOM 1057 CB ARG A 492 31.867 -2.119 2.406 1.00136.33 C ATOM 1058 CG ARG A 492 33.034 -2.346 3.371 1.00138.55 C ATOM 1059 CD ARG A 492 33.189 -1.213 4.372 1.00145.86 C ATOM 1060 NE ARG A 492 32.231 -1.291 5.473 1.00153.25 N ATOM 1061 CZ ARG A 492 31.105 -0.585 5.545 1.00158.96 C ATOM 1062 NH1 ARG A 492 30.781 0.260 4.573 1.00159.59 N ATOM 1063 NH2 ARG A 492 30.302 -0.724 6.592 1.00165.32 N ATOM 1064 HA ARG A 492 31.392 -4.107 1.898 1.00 0.00 H ATOM 1065 HB2 ARG A 492 32.016 -1.169 1.893 1.00 0.00 H ATOM 1066 HB3 ARG A 492 30.941 -2.079 2.979 1.00 0.00 H ATOM 1067 HG2 ARG A 492 32.862 -3.274 3.916 1.00 0.00 H ATOM 1068 HG3 ARG A 492 33.954 -2.431 2.793 1.00 0.00 H ATOM 1069 HD2 ARG A 492 33.044 -0.266 3.851 1.00 0.00 H ATOM 1070 HD3 ARG A 492 34.197 -1.249 4.785 1.00 0.00 H ATOM 1071 HE ARG A 492 32.444 -1.943 6.254 1.00 0.00 H ATOM 1072 HH12 ARG A 492 29.900 0.809 4.634 1.00 0.00 H ATOM 1073 HH11 ARG A 492 31.408 0.372 3.751 1.00 0.00 H ATOM 1074 HH22 ARG A 492 29.422 -0.173 6.649 1.00 0.00 H ATOM 1075 HH21 ARG A 492 30.553 -1.384 7.356 1.00 0.00 H ATOM 1076 H ARG A 492 33.714 -2.683 0.634 1.00 0.00 H ATOM 1077 N ARG A 493 31.021 -1.817 -0.478 1.00113.27 N ATOM 1078 CA ARG A 493 30.253 -1.483 -1.675 1.00115.41 C ATOM 1079 C ARG A 493 31.149 -1.641 -2.919 1.00104.50 C ATOM 1080 O ARG A 493 32.370 -1.463 -2.847 1.00 98.92 O ATOM 1081 CB ARG A 493 29.705 -0.042 -1.596 1.00127.72 C ATOM 1082 CG ARG A 493 29.025 0.345 -0.273 1.00138.37 C ATOM 1083 CD ARG A 493 28.166 1.616 -0.413 1.00146.96 C ATOM 1084 NE ARG A 493 27.315 1.842 0.761 1.00168.11 N ATOM 1085 CZ ARG A 493 26.310 2.719 0.822 1.00181.29 C ATOM 1086 NH1 ARG A 493 26.003 3.470 -0.227 1.00184.38 N ATOM 1087 NH2 ARG A 493 25.600 2.846 1.939 1.00186.34 N ATOM 1088 HA ARG A 493 29.404 -2.163 -1.747 1.00 0.00 H ATOM 1089 HB2 ARG A 493 30.538 0.642 -1.756 1.00 0.00 H ATOM 1090 HB3 ARG A 493 28.975 0.083 -2.396 1.00 0.00 H ATOM 1091 HG2 ARG A 493 28.386 -0.478 0.048 1.00 0.00 H ATOM 1092 HG3 ARG A 493 29.794 0.521 0.479 1.00 0.00 H ATOM 1093 HD2 ARG A 493 27.531 1.516 -1.293 1.00 0.00 H ATOM 1094 HD3 ARG A 493 28.826 2.474 -0.539 1.00 0.00 H ATOM 1095 HE ARG A 493 27.510 1.275 1.611 1.00 0.00 H ATOM 1096 HH12 ARG A 493 25.218 4.150 -0.168 1.00 0.00 H ATOM 1097 HH11 ARG A 493 26.547 3.379 -1.109 1.00 0.00 H ATOM 1098 HH22 ARG A 493 24.818 3.530 1.983 1.00 0.00 H ATOM 1099 HH21 ARG A 493 25.827 2.261 2.769 1.00 0.00 H ATOM 1100 H ARG A 493 31.793 -1.186 -0.182 1.00 0.00 H ATOM 1101 N VAL A 494 30.557 -1.984 -4.056 1.00 89.14 N ATOM 1102 CA VAL A 494 31.304 -1.962 -5.303 1.00 86.74 C ATOM 1103 C VAL A 494 30.992 -0.687 -6.068 1.00106.12 C ATOM 1104 O VAL A 494 29.848 -0.454 -6.458 1.00118.00 O ATOM 1105 CB VAL A 494 30.977 -3.159 -6.176 1.00 86.75 C ATOM 1106 CG1 VAL A 494 31.421 -2.896 -7.606 1.00 77.39 C ATOM 1107 CG2 VAL A 494 31.653 -4.399 -5.617 1.00 87.65 C ATOM 1108 HA VAL A 494 32.364 -2.002 -5.052 1.00 0.00 H ATOM 1109 HB VAL A 494 29.900 -3.324 -6.179 1.00 0.00 H ATOM 1110 HG11 VAL A 494 30.902 -2.018 -7.991 1.00 0.00 H ATOM 1111 HG12 VAL A 494 32.497 -2.721 -7.625 1.00 0.00 H ATOM 1112 HG13 VAL A 494 31.182 -3.761 -8.224 1.00 0.00 H ATOM 1113 HG21 VAL A 494 32.732 -4.247 -5.600 1.00 0.00 H ATOM 1114 HG22 VAL A 494 31.295 -4.581 -4.604 1.00 0.00 H ATOM 1115 HG23 VAL A 494 31.415 -5.256 -6.247 1.00 0.00 H ATOM 1116 H VAL A 494 29.557 -2.269 -4.055 1.00 0.00 H ATOM 1117 N GLU A 495 32.012 0.140 -6.274 1.00109.89 N ATOM 1118 CA GLU A 495 31.814 1.445 -6.896 1.00111.17 C ATOM 1119 C GLU A 495 32.933 1.764 -7.887 1.00 98.78 C ATOM 1120 O GLU A 495 34.050 1.262 -7.770 1.00 96.58 O ATOM 1121 CB GLU A 495 31.708 2.534 -5.817 1.00121.08 C ATOM 1122 CG GLU A 495 31.067 3.845 -6.281 1.00139.75 C ATOM 1123 CD GLU A 495 30.475 4.646 -5.128 1.00155.39 C ATOM 1124 OE1 GLU A 495 30.401 5.896 -5.225 1.00165.89 O ATOM 1125 OE2 GLU A 495 30.078 4.015 -4.125 1.00155.53 O ATOM 1126 HA GLU A 495 30.880 1.418 -7.457 1.00 0.00 H ATOM 1127 HB2 GLU A 495 31.112 2.138 -4.994 1.00 0.00 H ATOM 1128 HB3 GLU A 495 32.714 2.757 -5.461 1.00 0.00 H ATOM 1129 HG2 GLU A 495 31.827 4.451 -6.774 1.00 0.00 H ATOM 1130 HG3 GLU A 495 30.272 3.614 -6.991 1.00 0.00 H ATOM 1131 H GLU A 495 32.969 -0.148 -5.987 1.00 0.00 H ATOM 1132 N GLY A 496 32.619 2.583 -8.882 1.00 88.57 N ATOM 1133 CA GLY A 496 33.627 3.063 -9.805 1.00 82.66 C ATOM 1134 C GLY A 496 34.070 2.045 -10.838 1.00 83.23 C ATOM 1135 O GLY A 496 35.179 2.140 -11.360 1.00 87.80 O ATOM 1136 HA3 GLY A 496 34.501 3.365 -9.228 1.00 0.00 H ATOM 1137 HA2 GLY A 496 33.223 3.928 -10.331 1.00 0.00 H ATOM 1138 H GLY A 496 31.631 2.886 -9.002 1.00 0.00 H ATOM 1139 N LEU A 497 33.210 1.075 -11.134 1.00 76.79 N ATOM 1140 CA LEU A 497 33.508 0.079 -12.157 1.00 81.87 C ATOM 1141 C LEU A 497 33.641 0.722 -13.530 1.00 86.64 C ATOM 1142 O LEU A 497 32.835 1.581 -13.907 1.00 87.53 O ATOM 1143 CB LEU A 497 32.413 -0.974 -12.206 1.00 77.03 C ATOM 1144 CG LEU A 497 32.531 -2.061 -11.155 1.00 76.22 C ATOM 1145 CD1 LEU A 497 31.301 -2.930 -11.213 1.00 67.62 C ATOM 1146 CD2 LEU A 497 33.779 -2.870 -11.427 1.00 68.66 C ATOM 1147 HA LEU A 497 34.457 -0.388 -11.893 1.00 0.00 H ATOM 1148 HB2 LEU A 497 31.454 -0.474 -12.071 1.00 0.00 H ATOM 1149 HB3 LEU A 497 32.440 -1.446 -13.188 1.00 0.00 H ATOM 1150 HG LEU A 497 32.606 -1.629 -10.157 1.00 0.00 H ATOM 1151 HD21 LEU A 497 33.710 -3.320 -12.418 1.00 0.00 H ATOM 1152 HD22 LEU A 497 34.651 -2.217 -11.383 1.00 0.00 H ATOM 1153 HD23 LEU A 497 33.873 -3.655 -10.676 1.00 0.00 H ATOM 1154 HD11 LEU A 497 30.418 -2.321 -11.018 1.00 0.00 H ATOM 1155 HD12 LEU A 497 31.222 -3.380 -12.203 1.00 0.00 H ATOM 1156 HD13 LEU A 497 31.377 -3.715 -10.461 1.00 0.00 H ATOM 1157 H LEU A 497 32.305 1.025 -10.625 1.00 0.00 H ATOM 1158 N LEU A 498 34.657 0.310 -14.277 1.00 74.78 N ATOM 1159 CA LEU A 498 34.844 0.849 -15.609 1.00 82.59 C ATOM 1160 C LEU A 498 33.708 0.365 -16.507 1.00 90.63 C ATOM 1161 O LEU A 498 33.177 1.133 -17.315 1.00 97.75 O ATOM 1162 CB LEU A 498 36.200 0.430 -16.162 1.00 80.70 C ATOM 1163 CG LEU A 498 37.384 0.862 -15.311 1.00 74.75 C ATOM 1164 CD1 LEU A 498 38.656 0.699 -16.109 1.00 80.28 C ATOM 1165 CD2 LEU A 498 37.199 2.307 -14.893 1.00 65.43 C ATOM 1166 HA LEU A 498 34.825 1.938 -15.573 1.00 0.00 H ATOM 1167 HB2 LEU A 498 36.215 -0.657 -16.242 1.00 0.00 H ATOM 1168 HB3 LEU A 498 36.314 0.868 -17.154 1.00 0.00 H ATOM 1169 HG LEU A 498 37.448 0.243 -14.416 1.00 0.00 H ATOM 1170 HD21 LEU A 498 37.138 2.936 -15.781 1.00 0.00 H ATOM 1171 HD22 LEU A 498 36.280 2.402 -14.315 1.00 0.00 H ATOM 1172 HD23 LEU A 498 38.047 2.619 -14.283 1.00 0.00 H ATOM 1173 HD11 LEU A 498 38.773 -0.346 -16.395 1.00 0.00 H ATOM 1174 HD12 LEU A 498 38.603 1.318 -17.005 1.00 0.00 H ATOM 1175 HD13 LEU A 498 39.507 1.008 -15.501 1.00 0.00 H ATOM 1176 H LEU A 498 35.320 -0.400 -13.906 1.00 0.00 H ATOM 1177 N GLU A 499 33.339 -0.905 -16.337 1.00 93.06 N ATOM 1178 CA GLU A 499 32.245 -1.543 -17.077 1.00108.04 C ATOM 1179 C GLU A 499 32.589 -1.808 -18.544 1.00114.58 C ATOM 1180 O GLU A 499 33.116 -2.869 -18.890 1.00111.58 O ATOM 1181 CB GLU A 499 30.946 -0.731 -16.961 1.00123.59 C ATOM 1182 CG GLU A 499 29.728 -1.386 -17.581 1.00139.09 C ATOM 1183 CD GLU A 499 29.144 -2.488 -16.709 1.00140.45 C ATOM 1184 OE1 GLU A 499 29.917 -3.319 -16.176 1.00134.23 O ATOM 1185 OE2 GLU A 499 27.904 -2.517 -16.553 1.00139.10 O ATOM 1186 HA GLU A 499 32.091 -2.516 -16.611 1.00 0.00 H ATOM 1187 HB2 GLU A 499 30.742 -0.568 -15.903 1.00 0.00 H ATOM 1188 HB3 GLU A 499 31.101 0.230 -17.452 1.00 0.00 H ATOM 1189 HG2 GLU A 499 28.964 -0.624 -17.738 1.00 0.00 H ATOM 1190 HG3 GLU A 499 30.014 -1.816 -18.541 1.00 0.00 H ATOM 1191 H GLU A 499 33.857 -1.476 -15.639 1.00 0.00 H TER 1192 GLU A 499 HETATM 1193 O HOH 1 42.038 -20.209 -2.104 1.00 64.97 O HETATM 1194 O HOH 2 46.356 -6.549 2.130 1.00 66.12 O HETATM 1195 O HOH 3 42.581 -1.952 -1.255 1.00 72.29 O HETATM 1196 O HOH 4 43.485 3.531 -2.211 1.00 72.52 O HETATM 1197 O HOH 5 37.596 -5.452 -15.963 1.00 79.17 O HETATM 1198 O HOH 6 37.399 2.769 -8.252 1.00 87.71 O HETATM 1199 O HOH 7 44.046 -4.468 4.640 1.00 80.24 O HETATM 1200 O HOH 8 43.214 -1.421 4.537 1.00 73.70 O HETATM 1201 O HOH 9 38.074 -3.459 5.285 1.00 96.53 O HETATM 1202 O HOH 10 45.374 0.637 -7.269 1.00 91.71 O HETATM 1203 O HOH 11 56.276 -9.556 -8.100 1.00 87.63 O HETATM 1204 OP3 G A 12 35.011 -15.228 -19.606 1.00 -0.55 O HETATM 1205 P G A 12 36.575 -15.513 -19.847 1.00 0.20 P HETATM 1206 OP1 G A 12 36.673 -16.698 -20.742 1.00 -0.55 O HETATM 1207 OP2 G A 12 37.221 -14.233 -20.252 1.00 -0.55 O HETATM 1208 O5' G A 12 37.123 -15.941 -18.406 1.00 -0.27 O HETATM 1209 C5' G A 12 38.527 -16.008 -18.147 1.00 0.11 C HETATM 1210 C4' G A 12 38.858 -16.492 -16.749 1.00 0.12 C HETATM 1211 O4' G A 12 38.094 -15.737 -15.769 1.00 -0.33 O HETATM 1212 C1' G A 12 37.306 -16.618 -14.995 1.00 0.22 C HETATM 1213 C2' G A 12 37.216 -17.920 -15.791 1.00 0.15 C HETATM 1214 C3' G A 12 38.579 -17.966 -16.462 1.00 0.15 C HETATM 1215 O3' G A 12 39.532 -18.447 -15.517 1.00 -0.25 O HETATM 1216 P G A 12 40.857 -19.201 -16.014 1.00 0.26 P HETATM 1217 OP1 G A 12 40.443 -20.349 -16.864 1.00 -0.62 O HETATM 1218 OP2 G A 12 41.703 -19.416 -14.812 1.00 -0.62 O HETATM 1219 O5' G A 12 41.591 -18.131 -16.941 1.00 -0.25 O HETATM 1220 C5' G A 12 42.676 -17.364 -16.430 1.00 0.11 C HETATM 1221 C4' G A 12 43.136 -16.300 -17.397 1.00 0.12 C HETATM 1222 O4' G A 12 42.036 -15.390 -17.678 1.00 -0.33 O HETATM 1223 C1' G A 12 42.409 -14.069 -17.337 1.00 0.22 C HETATM 1224 C2' G A 12 43.552 -14.210 -16.341 1.00 0.15 C HETATM 1225 C3' G A 12 44.279 -15.432 -16.887 1.00 0.15 C HETATM 1226 O3' G A 12 45.108 -15.046 -17.981 1.00 -0.25 O HETATM 1227 P G A 12 46.557 -15.718 -18.161 1.00 0.26 P HETATM 1228 OP1 G A 12 47.311 -14.915 -19.154 1.00 -0.62 O HETATM 1229 OP2 G A 12 46.377 -17.190 -18.291 1.00 -0.62 O HETATM 1230 O5' G A 12 47.263 -15.460 -16.765 1.00 -0.25 O HETATM 1231 C5' G A 12 47.664 -14.152 -16.387 1.00 0.11 C HETATM 1232 C4' G A 12 48.944 -14.197 -15.597 1.00 0.12 C HETATM 1233 O4' G A 12 48.796 -15.143 -14.505 1.00 -0.33 O HETATM 1234 C1' G A 12 49.801 -16.137 -14.592 1.00 0.22 C HETATM 1235 C2' G A 12 50.274 -16.126 -16.037 1.00 0.15 C HETATM 1236 C3' G A 12 50.163 -14.647 -16.383 1.00 0.15 C HETATM 1237 O3' G A 12 51.296 -13.979 -15.869 1.00 -0.25 O HETATM 1238 P G A 12 52.471 -13.584 -16.866 1.00 0.26 P HETATM 1239 OP1 G A 12 53.391 -14.748 -16.992 1.00 -0.62 O HETATM 1240 O5' G A 12 53.239 -12.426 -16.111 1.00 -0.25 O HETATM 1241 C5' G A 12 53.576 -11.243 -16.807 1.00 0.11 C HETATM 1242 C4' G A 12 53.186 -10.031 -16.017 1.00 0.12 C HETATM 1243 C3' G A 12 54.234 -8.929 -16.029 1.00 0.15 C HETATM 1244 O3' G A 12 53.575 -7.675 -15.902 1.00 -0.27 O HETATM 1245 P2 G A 12 54.260 -6.358 -16.494 1.00 0.20 P HETATM 1246 OP4 G A 12 54.332 -5.388 -15.371 1.00 -0.55 O HETATM 1247 OP5 G A 12 53.213 -5.841 -17.587 1.00 -0.55 O HETATM 1248 OP6 G A 12 55.485 -6.801 -17.208 1.00 -0.55 O HETATM 1249 C2' G A 12 55.033 -9.228 -14.766 1.00 0.14 C HETATM 1250 O2' G A 12 55.761 -8.133 -14.247 1.00 -0.38 O HETATM 1251 H42 G A 12 56.227 -8.406 -13.465 1.00 0.21 H HETATM 1252 C1' G A 12 53.926 -9.685 -13.820 1.00 0.20 C HETATM 1253 O4' G A 12 53.013 -10.411 -14.622 1.00 -0.34 O HETATM 1254 N1 G A 12 54.380 -10.546 -12.720 1.00 -0.18 N HETATM 1255 C6 G A 12 54.294 -11.907 -12.774 1.00 0.03 C HETATM 1256 C5 G A 12 54.712 -12.669 -11.749 1.00 0.00 C HETATM 1257 C4 G A 12 55.239 -12.012 -10.599 1.00 0.25 C HETATM 1258 N4 G A 12 55.661 -12.727 -9.549 1.00 -0.23 N HETATM 1259 H46 G A 12 56.041 -12.249 -8.720 1.00 0.46 H HETATM 1260 H47 G A 12 55.605 -13.755 -9.570 1.00 0.46 H HETATM 1261 N3 G A 12 55.330 -10.683 -10.537 1.00 -0.20 N HETATM 1262 C2 G A 12 54.901 -9.926 -11.583 1.00 0.30 C HETATM 1263 O2 G A 12 54.958 -8.685 -11.580 1.00 -0.39 O HETATM 1264 H48 G A 12 55.712 -10.244 -9.724 1.00 0.19 H HETATM 1265 H45 G A 12 54.650 -13.755 -11.796 1.00 0.02 H HETATM 1266 H44 G A 12 53.880 -12.383 -13.662 1.00 0.10 H HETATM 1267 H43 G A 12 53.434 -8.800 -13.389 1.00 0.10 H HETATM 1268 H41 G A 12 55.743 -10.047 -14.955 1.00 0.07 H HETATM 1269 H40 G A 12 54.861 -8.954 -16.933 1.00 0.07 H HETATM 1270 H39 G A 12 52.242 -9.636 -16.422 1.00 0.07 H HETATM 1271 H37 G A 12 53.048 -11.230 -17.772 1.00 0.06 H HETATM 1272 H38 G A 12 54.662 -11.225 -16.983 1.00 0.06 H HETATM 1273 OP2 G A 12 51.822 -12.970 -18.053 1.00 -0.62 O HETATM 1274 H28 G A 12 50.053 -14.476 -17.464 1.00 0.07 H HETATM 1275 O2' G A 12 51.581 -16.641 -16.144 1.00 -0.38 O HETATM 1276 H30 G A 12 52.155 -16.169 -15.552 1.00 0.21 H HETATM 1277 H29 G A 12 49.607 -16.722 -16.677 1.00 0.07 H HETATM 1278 N9 G A 12 49.221 -17.414 -14.162 1.00 -0.10 N HETATM 1279 C8 G A 12 48.153 -18.074 -14.733 1.00 0.19 C HETATM 1280 N7 G A 12 47.845 -19.191 -14.127 1.00 -0.19 N HETATM 1281 C5 G A 12 48.764 -19.278 -13.087 1.00 0.26 C HETATM 1282 C6 G A 12 48.922 -20.284 -12.093 1.00 0.26 C HETATM 1283 O6 G A 12 48.261 -21.319 -11.935 1.00 -0.36 O HETATM 1284 N1 G A 12 49.976 -19.986 -11.235 1.00 -0.25 N HETATM 1285 C2 G A 12 50.769 -18.868 -11.325 1.00 0.20 C HETATM 1286 N2 G A 12 51.723 -18.778 -10.393 1.00 -0.33 N HETATM 1287 H34 G A 12 52.363 -17.971 -10.387 1.00 0.18 H HETATM 1288 H35 G A 12 51.818 -19.516 -9.681 1.00 0.18 H HETATM 1289 N3 G A 12 50.643 -17.917 -12.250 1.00 -0.19 N HETATM 1290 C4 G A 12 49.620 -18.185 -13.092 1.00 0.33 C HETATM 1291 H36 G A 12 51.247 -17.085 -12.315 1.00 0.25 H HETATM 1292 H33 G A 12 50.171 -20.634 -10.498 1.00 0.18 H HETATM 1293 H32 G A 12 47.618 -17.701 -15.605 1.00 0.18 H HETATM 1294 H31 G A 12 50.645 -15.890 -13.931 1.00 0.10 H HETATM 1295 H27 G A 12 49.135 -13.190 -15.196 1.00 0.07 H HETATM 1296 H25 G A 12 46.875 -13.696 -15.771 1.00 0.06 H HETATM 1297 H26 G A 12 47.819 -13.546 -17.292 1.00 0.06 H HETATM 1298 H16 G A 12 44.871 -15.941 -16.112 1.00 0.07 H HETATM 1299 O2' G A 12 44.345 -13.053 -16.281 1.00 -0.38 O HETATM 1300 H18 G A 12 44.648 -12.833 -17.154 1.00 0.21 H HETATM 1301 H17 G A 12 43.165 -14.415 -15.332 1.00 0.07 H HETATM 1302 N9 G A 12 41.215 -13.393 -16.818 1.00 -0.10 N HETATM 1303 C8 G A 12 40.508 -12.431 -17.498 1.00 0.19 C HETATM 1304 N7 G A 12 39.468 -11.993 -16.847 1.00 -0.19 N HETATM 1305 C5 G A 12 39.472 -12.712 -15.652 1.00 0.26 C HETATM 1306 C6 G A 12 38.568 -12.662 -14.548 1.00 0.26 C HETATM 1307 O6 G A 12 37.564 -11.950 -14.378 1.00 -0.36 O HETATM 1308 N1 G A 12 38.938 -13.550 -13.551 1.00 -0.25 N HETATM 1309 C2 G A 12 40.024 -14.384 -13.611 1.00 0.20 C HETATM 1310 N2 G A 12 40.204 -15.165 -12.538 1.00 -0.33 N HETATM 1311 H22 G A 12 40.998 -15.820 -12.505 1.00 0.18 H HETATM 1312 H23 G A 12 39.548 -15.110 -11.745 1.00 0.18 H HETATM 1313 N3 G A 12 40.869 -14.443 -14.629 1.00 -0.19 N HETATM 1314 C4 G A 12 40.545 -13.583 -15.616 1.00 0.33 C HETATM 1315 H24 G A 12 41.682 -15.075 -14.663 1.00 0.25 H HETATM 1316 H21 G A 12 38.371 -13.585 -12.728 1.00 0.18 H HETATM 1317 H20 G A 12 40.790 -12.069 -18.486 1.00 0.18 H HETATM 1318 H19 G A 12 42.767 -13.525 -18.223 1.00 0.10 H HETATM 1319 H15 G A 12 43.455 -16.797 -18.325 1.00 0.07 H HETATM 1320 H13 G A 12 43.519 -18.040 -16.222 1.00 0.06 H HETATM 1321 H14 G A 12 42.356 -16.878 -15.496 1.00 0.06 H HETATM 1322 H4 G A 12 38.579 -18.579 -17.375 1.00 0.07 H HETATM 1323 O2' G A 12 36.935 -19.022 -14.951 1.00 -0.38 O HETATM 1324 H6 G A 12 37.583 -19.063 -14.257 1.00 0.21 H HETATM 1325 H5 G A 12 36.423 -17.857 -16.551 1.00 0.07 H HETATM 1326 N9 G A 12 36.004 -15.992 -14.818 1.00 -0.10 N HETATM 1327 C8 G A 12 35.380 -15.125 -15.683 1.00 0.19 C HETATM 1328 N7 G A 12 34.202 -14.747 -15.268 1.00 -0.19 N HETATM 1329 C5 G A 12 34.044 -15.419 -14.065 1.00 0.26 C HETATM 1330 C6 G A 12 32.964 -15.404 -13.156 1.00 0.26 C HETATM 1331 O6 G A 12 31.904 -14.770 -13.243 1.00 -0.36 O HETATM 1332 N1 G A 12 33.224 -16.233 -12.065 1.00 -0.25 N HETATM 1333 C2 G A 12 34.369 -16.977 -11.875 1.00 0.20 C HETATM 1334 N2 G A 12 34.422 -17.713 -10.755 1.00 -0.33 N HETATM 1335 H10 G A 12 35.252 -18.290 -10.557 1.00 0.18 H HETATM 1336 H11 G A 12 33.633 -17.701 -10.093 1.00 0.18 H HETATM 1337 N3 G A 12 35.387 -17.001 -12.719 1.00 -0.19 N HETATM 1338 C4 G A 12 35.150 -16.196 -13.776 1.00 0.33 C HETATM 1339 H12 G A 12 36.243 -17.558 -12.588 1.00 0.25 H HETATM 1340 H9 G A 12 32.518 -16.293 -11.359 1.00 0.18 H HETATM 1341 H8 G A 12 35.823 -14.788 -16.619 1.00 0.18 H HETATM 1342 H7 G A 12 37.768 -16.805 -14.014 1.00 0.10 H HETATM 1343 H3 G A 12 39.931 -16.313 -16.588 1.00 0.07 H HETATM 1344 H1 G A 12 38.954 -15.003 -18.279 1.00 0.06 H HETATM 1345 H2 G A 12 38.983 -16.698 -18.872 1.00 0.06 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 1204 1205 CONECT 1205 1204 1206 1207 1208 CONECT 1206 1205 CONECT 1207 1205 CONECT 1208 1205 1209 CONECT 1209 1208 1210 1344 1345 CONECT 1210 1209 1211 1214 1343 CONECT 1211 1210 1212 CONECT 1212 1211 1213 1326 1342 CONECT 1213 1212 1214 1323 1325 CONECT 1214 1210 1213 1215 1322 CONECT 1215 1214 1216 CONECT 1216 1215 1217 1218 1219 CONECT 1217 1216 CONECT 1218 1216 CONECT 1219 1216 1220 CONECT 1220 1219 1221 1320 1321 CONECT 1221 1220 1222 1225 1319 CONECT 1222 1221 1223 CONECT 1223 1222 1224 1302 1318 CONECT 1224 1223 1225 1299 1301 CONECT 1225 1221 1224 1226 1298 CONECT 1226 1225 1227 CONECT 1227 1226 1228 1229 1230 CONECT 1228 1227 CONECT 1229 1227 CONECT 1230 1227 1231 CONECT 1231 1230 1232 1296 1297 CONECT 1232 1231 1233 1236 1295 CONECT 1233 1232 1234 CONECT 1234 1233 1235 1278 1294 CONECT 1235 1234 1236 1275 1277 CONECT 1236 1232 1235 1237 1274 CONECT 1237 1236 1238 CONECT 1238 1237 1239 1240 1273 CONECT 1239 1238 CONECT 1240 1238 1241 CONECT 1241 1240 1242 1271 1272 CONECT 1242 1241 1243 1253 1270 CONECT 1243 1242 1244 1249 1269 CONECT 1244 1243 1245 CONECT 1245 1244 1246 1247 1248 CONECT 1246 1245 CONECT 1247 1245 CONECT 1248 1245 CONECT 1249 1243 1250 1252 1268 CONECT 1250 1249 1251 CONECT 1251 1250 CONECT 1252 1249 1253 1254 1267 CONECT 1253 1242 1252 CONECT 1254 1252 1255 1262 CONECT 1255 1254 1256 1266 CONECT 1256 1255 1257 1265 CONECT 1257 1256 1258 1261 CONECT 1258 1257 1259 1260 CONECT 1259 1258 CONECT 1260 1258 CONECT 1261 1257 1262 1264 CONECT 1262 1254 1261 1263 CONECT 1263 1262 CONECT 1264 1261 CONECT 1265 1256 CONECT 1266 1255 CONECT 1267 1252 CONECT 1268 1249 CONECT 1269 1243 CONECT 1270 1242 CONECT 1271 1241 CONECT 1272 1241 CONECT 1273 1238 CONECT 1274 1236 CONECT 1275 1235 1276 CONECT 1276 1275 CONECT 1277 1235 CONECT 1278 1234 1279 1290 CONECT 1279 1278 1280 1293 CONECT 1280 1279 1281 CONECT 1281 1280 1282 1290 CONECT 1282 1281 1283 1284 CONECT 1283 1282 CONECT 1284 1282 1285 1292 CONECT 1285 1284 1286 1289 CONECT 1286 1285 1287 1288 CONECT 1287 1286 CONECT 1288 1286 CONECT 1289 1285 1290 1291 CONECT 1290 1278 1281 1289 CONECT 1291 1289 CONECT 1292 1284 CONECT 1293 1279 CONECT 1294 1234 CONECT 1295 1232 CONECT 1296 1231 CONECT 1297 1231 CONECT 1298 1225 CONECT 1299 1224 1300 CONECT 1300 1299 CONECT 1301 1224 CONECT 1302 1223 1303 1314 CONECT 1303 1302 1304 1317 CONECT 1304 1303 1305 CONECT 1305 1304 1306 1314 CONECT 1306 1305 1307 1308 CONECT 1307 1306 CONECT 1308 1306 1309 1316 CONECT 1309 1308 1310 1313 CONECT 1310 1309 1311 1312 CONECT 1311 1310 CONECT 1312 1310 CONECT 1313 1309 1314 1315 CONECT 1314 1302 1305 1313 CONECT 1315 1313 CONECT 1316 1308 CONECT 1317 1303 CONECT 1318 1223 CONECT 1319 1221 CONECT 1320 1220 CONECT 1321 1220 CONECT 1322 1214 CONECT 1323 1213 1324 CONECT 1324 1323 CONECT 1325 1213 CONECT 1326 1212 1327 1338 CONECT 1327 1326 1328 1341 CONECT 1328 1327 1329 CONECT 1329 1328 1330 1338 CONECT 1330 1329 1331 1332 CONECT 1331 1330 CONECT 1332 1330 1333 1340 CONECT 1333 1332 1334 1337 CONECT 1334 1333 1335 1336 CONECT 1335 1334 CONECT 1336 1334 CONECT 1337 1333 1338 1339 CONECT 1338 1326 1329 1337 CONECT 1339 1337 CONECT 1340 1332 CONECT 1341 1327 CONECT 1342 1212 CONECT 1343 1210 CONECT 1344 1209 CONECT 1345 1209 MASTER 0 0 0 0 0 0 0 0 1344 1 146 6 END
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Entry Information
PDB ID
4i67
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Heat resistant RNA dependent ATPase
Ligand Name
4-mer
EC.Number
E.C.3.6.4.13
Resolution
2.33(Å)
Affinity (Kd/Ki/IC50)
Kd=0.45uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Nucleic Acids Res. Vol. 41: pp. 6259-6272
Ligand Properties
Formula
C
3
9
H
6
0
N
1
8
O
3
2
P
5
Molecular Weight
1447.860
Exact Mass
1447.230
No. of atoms
154
No. of bonds
164
Polar Surface Area
838.29
LOGP Value
-10.74 (
Computed with XLOGP3
)
-11.08 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 23
No. of Rotatable Bonds: 26
No. of Nitrogen and Oxygen Atoms: 50
No. of Rings: 11
Canonical SMILES
Nc1[nH+]c(=O)c2c([nH]1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)OP(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(O)(O)O)O)n1ccc(=[NH2+])[nH]c1=O)(O)O)O)n1cnc2c1[nH]c(N)[nH+]c2=O)(O)O)COP(O[C@@H]1[C@@H](COP(O)(O)O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(N)[nH+]c2=O)(O)O
InChI String
InChI=1S/C39H61N18O32P5/c40-14-1-2-54(39(65)47-14)32-18(58)22(86-91(69,70)71)11(82-32)4-79-92(72,73)88-24-13(85-34(20(24)60)56-8-45-16-27(56)49-37(42)52-30(16)63)6-81-94(76,77)89-25-12(84-35(21(25)61)57-9-46-17-28(57)50-38(43)53-31(17)64)5-80-93(74,75)87-23-10(3-78-90(66,67)68)83-33(19(23)59)55-7-44-15-26(55)48-36(41)51-29(15)62/h1-2,7-13,18-25,32-35,58-61,66-77,90-94H,3-6H2,(H2,40,47,65)(H3,41,48,51,62)(H3,42,49,52,63)(H3,43,50,53,64)/p+4/t10-,11-,12-,13-,18-,19-,20-,21-,22-,23-,24-,25-,32-,33-,34-,35-/m1/s1
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UniProtKB AC
UniProt accession number (AC):
Q72GF3
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
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