Browse entries in the PDBbind-CN Database
HEADER 4ODL_COMPLEX COMPND 4ODL_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 150 MET LYS VAL GLY GLN ASP LYS VAL VAL THR ILE ARG TYR SEQRES 2 A 150 THR LEU GLN VAL GLU GLY GLU VAL LEU ASP GLN GLY GLU SEQRES 3 A 150 LEU SER TYR LEU HIS GLY HIS ARG ASN LEU ILE PRO GLY SEQRES 4 A 150 LEU GLU GLU ALA LEU GLU GLY ARG GLU GLU GLY GLU ALA SEQRES 5 A 150 PHE GLN ALA HIS VAL PRO ALA GLU LYS ALA TYR GLY PRO SEQRES 6 A 150 HIS ASP PRO GLU GLY VAL GLN VAL VAL PRO LEU SER ALA SEQRES 7 A 150 PHE PRO GLU ASP ALA GLU VAL VAL PRO GLY ALA GLN PHE SEQRES 8 A 150 TYR ALA GLN ASP MET GLU GLY ASN PRO MET PRO LEU THR SEQRES 9 A 150 VAL VAL ALA VAL GLU GLY GLU GLU VAL THR VAL ASP PHE SEQRES 10 A 150 ASN HIS PRO LEU ALA GLY LYS ASP LEU ASP PHE GLN VAL SEQRES 11 A 150 GLU VAL VAL LYS VAL ARG GLU ALA THR PRO GLU GLU LEU SEQRES 12 A 150 LEU HIS GLY HIS ALA HIS PRO HET THR A 153 267 ATOM 1 N MET A 1 19.319 -29.454 44.303 1.00 91.06 N ATOM 2 CA MET A 1 19.504 -30.894 44.185 1.00 80.76 C ATOM 3 C MET A 1 20.119 -31.457 45.462 1.00 71.66 C ATOM 4 O MET A 1 21.176 -31.007 45.904 1.00 75.63 O ATOM 5 CB MET A 1 20.381 -31.222 42.977 1.00 82.46 C ATOM 6 CG MET A 1 20.473 -32.704 42.662 1.00 82.69 C ATOM 7 SD MET A 1 21.385 -33.039 41.143 1.00 66.00 S ATOM 8 CE MET A 1 20.318 -32.253 39.941 1.00 41.62 C ATOM 9 HN3 MET A 1 20.240 -28.999 44.465 1.00 0.00 H ATOM 10 HN2 MET A 1 18.686 -29.251 45.103 1.00 0.00 H ATOM 11 HN1 MET A 1 18.899 -29.087 43.425 1.00 0.00 H ATOM 12 N LYS A 2 19.449 -32.442 46.052 1.00 59.75 N ATOM 13 CA LYS A 2 19.870 -32.992 47.338 1.00 51.32 C ATOM 14 C LYS A 2 20.890 -34.116 47.199 1.00 59.14 C ATOM 15 O LYS A 2 20.822 -34.924 46.270 1.00 55.93 O ATOM 16 CB LYS A 2 18.658 -33.489 48.129 1.00 45.50 C ATOM 17 CG LYS A 2 17.770 -32.379 48.652 1.00 65.82 C ATOM 18 CD LYS A 2 16.451 -32.921 49.173 1.00 72.26 C ATOM 19 CE LYS A 2 15.549 -31.796 49.653 1.00 79.96 C ATOM 20 NZ LYS A 2 14.167 -32.276 49.938 1.00 79.12 N ATOM 21 HZ1 LYS A 2 13.755 -32.678 49.072 1.00 0.00 H ATOM 22 HZ2 LYS A 2 14.201 -33.006 50.678 1.00 0.00 H ATOM 23 HZ3 LYS A 2 13.584 -31.478 50.263 1.00 0.00 H ATOM 24 H LYS A 2 18.604 -32.831 45.586 1.00 0.00 H ATOM 25 N VAL A 3 21.833 -34.156 48.136 1.00 57.22 N ATOM 26 CA VAL A 3 22.815 -35.231 48.199 1.00 50.68 C ATOM 27 C VAL A 3 22.112 -36.562 48.409 1.00 45.21 C ATOM 28 O VAL A 3 21.292 -36.705 49.318 1.00 45.28 O ATOM 29 CB VAL A 3 23.818 -35.017 49.347 1.00 51.09 C ATOM 30 CG1 VAL A 3 24.636 -36.278 49.585 1.00 45.86 C ATOM 31 CG2 VAL A 3 24.722 -33.836 49.053 1.00 61.70 C ATOM 32 H VAL A 3 21.871 -33.397 48.846 1.00 0.00 H ATOM 33 N GLY A 4 22.430 -37.532 47.562 1.00 37.06 N ATOM 34 CA GLY A 4 21.840 -38.849 47.671 1.00 31.25 C ATOM 35 C GLY A 4 22.563 -39.851 46.800 1.00 40.63 C ATOM 36 O GLY A 4 23.647 -39.570 46.289 1.00 41.43 O ATOM 37 H GLY A 4 23.117 -37.342 46.805 1.00 0.00 H ATOM 38 N GLN A 5 21.954 -41.019 46.627 1.00 35.60 N ATOM 39 CA GLN A 5 22.542 -42.094 45.837 1.00 33.71 C ATOM 40 C GLN A 5 22.948 -41.640 44.437 1.00 41.18 C ATOM 41 O GLN A 5 22.208 -40.919 43.767 1.00 44.39 O ATOM 42 CB GLN A 5 21.568 -43.266 45.741 1.00 27.67 C ATOM 43 CG GLN A 5 22.172 -44.530 45.157 1.00 39.38 C ATOM 44 CD GLN A 5 23.221 -45.148 46.062 1.00 36.59 C ATOM 45 OE1 GLN A 5 23.066 -45.179 47.281 1.00 42.01 O ATOM 46 NE2 GLN A 5 24.298 -45.641 45.465 1.00 50.00 N ATOM 47 HE22 GLN A 5 24.387 -45.593 44.430 1.00 0.00 H ATOM 48 HE21 GLN A 5 25.054 -46.076 46.032 1.00 0.00 H ATOM 49 H GLN A 5 21.026 -41.172 47.070 1.00 0.00 H ATOM 50 N ASP A 6 24.142 -42.056 44.021 1.00 42.82 N ATOM 51 CA ASP A 6 24.665 -41.805 42.673 1.00 37.20 C ATOM 52 C ASP A 6 24.864 -40.333 42.315 1.00 33.48 C ATOM 53 O ASP A 6 25.061 -39.995 41.149 1.00 38.09 O ATOM 54 CB ASP A 6 23.807 -42.501 41.613 1.00 25.82 C ATOM 55 CG ASP A 6 23.866 -44.011 41.716 1.00 52.03 C ATOM 56 OD1 ASP A 6 24.814 -44.531 42.340 1.00 29.99 O ATOM 57 OD2 ASP A 6 22.966 -44.681 41.164 1.00 70.46 O ATOM 58 H ASP A 6 24.737 -42.588 44.688 1.00 0.00 H ATOM 59 N LYS A 7 24.815 -39.462 43.316 1.00 42.93 N ATOM 60 CA LYS A 7 25.095 -38.048 43.100 1.00 37.04 C ATOM 61 C LYS A 7 26.585 -37.790 43.281 1.00 34.59 C ATOM 62 O LYS A 7 27.199 -38.301 44.219 1.00 32.79 O ATOM 63 CB LYS A 7 24.306 -37.187 44.088 1.00 29.78 C ATOM 64 CG LYS A 7 22.803 -37.221 43.903 1.00 47.34 C ATOM 65 CD LYS A 7 22.366 -36.285 42.790 1.00 47.93 C ATOM 66 CE LYS A 7 20.853 -36.263 42.658 1.00 43.21 C ATOM 67 NZ LYS A 7 20.315 -37.601 42.294 1.00 39.10 N ATOM 68 HZ1 LYS A 7 20.720 -37.900 41.384 1.00 0.00 H ATOM 69 HZ2 LYS A 7 20.571 -38.288 43.031 1.00 0.00 H ATOM 70 HZ3 LYS A 7 19.280 -37.547 42.213 1.00 0.00 H ATOM 71 H LYS A 7 24.573 -39.795 44.271 1.00 0.00 H ATOM 72 N VAL A 8 27.173 -37.012 42.380 1.00 30.62 N ATOM 73 CA VAL A 8 28.535 -36.544 42.589 1.00 35.36 C ATOM 74 C VAL A 8 28.492 -35.296 43.464 1.00 41.62 C ATOM 75 O VAL A 8 27.941 -34.266 43.073 1.00 44.93 O ATOM 76 CB VAL A 8 29.263 -36.238 41.271 1.00 36.43 C ATOM 77 CG1 VAL A 8 30.581 -35.534 41.553 1.00 30.74 C ATOM 78 CG2 VAL A 8 29.500 -37.520 40.491 1.00 28.81 C ATOM 79 H VAL A 8 26.657 -36.736 41.520 1.00 0.00 H ATOM 80 N VAL A 9 29.068 -35.401 44.656 1.00 34.98 N ATOM 81 CA VAL A 9 28.988 -34.329 45.639 1.00 40.87 C ATOM 82 C VAL A 9 30.348 -33.688 45.890 1.00 50.65 C ATOM 83 O VAL A 9 31.337 -34.379 46.128 1.00 54.45 O ATOM 84 CB VAL A 9 28.426 -34.847 46.976 1.00 45.90 C ATOM 85 CG1 VAL A 9 28.346 -33.721 47.992 1.00 44.39 C ATOM 86 CG2 VAL A 9 27.059 -35.494 46.770 1.00 43.32 C ATOM 87 H VAL A 9 29.589 -36.269 44.893 1.00 0.00 H ATOM 88 N THR A 10 30.385 -32.361 45.834 1.00 57.95 N ATOM 89 CA THR A 10 31.609 -31.613 46.087 1.00 57.59 C ATOM 90 C THR A 10 31.524 -30.907 47.435 1.00 47.19 C ATOM 91 O THR A 10 30.570 -30.178 47.700 1.00 43.39 O ATOM 92 CB THR A 10 31.857 -30.570 44.987 1.00 48.75 C ATOM 93 OG1 THR A 10 31.751 -31.199 43.706 1.00 50.13 O ATOM 94 CG2 THR A 10 33.238 -29.951 45.134 1.00 44.63 C ATOM 95 HG1 THR A 10 32.425 -31.921 43.637 1.00 0.00 H ATOM 96 H THR A 10 29.514 -31.841 45.603 1.00 0.00 H ATOM 97 N ILE A 11 32.518 -31.129 48.290 1.00 45.68 N ATOM 98 CA ILE A 11 32.511 -30.525 49.620 1.00 52.21 C ATOM 99 C ILE A 11 33.794 -29.765 49.941 1.00 54.88 C ATOM 100 O ILE A 11 34.882 -30.144 49.504 1.00 54.85 O ATOM 101 CB ILE A 11 32.281 -31.580 50.731 1.00 50.51 C ATOM 102 CG1 ILE A 11 33.470 -32.542 50.819 1.00 44.29 C ATOM 103 CG2 ILE A 11 30.981 -32.339 50.501 1.00 37.52 C ATOM 104 CD1 ILE A 11 33.354 -33.554 51.934 1.00 42.03 C ATOM 105 H ILE A 11 33.311 -31.741 48.008 1.00 0.00 H ATOM 106 N ARG A 12 33.651 -28.674 50.689 1.00 68.30 N ATOM 107 CA ARG A 12 34.789 -28.037 51.344 1.00 66.84 C ATOM 108 C ARG A 12 34.755 -28.472 52.797 1.00 61.09 C ATOM 109 O ARG A 12 33.701 -28.445 53.435 1.00 66.86 O ATOM 110 CB ARG A 12 34.722 -26.512 51.249 1.00 65.03 C ATOM 111 CG ARG A 12 35.081 -25.952 49.885 1.00 85.57 C ATOM 112 CD ARG A 12 35.196 -24.433 49.918 1.00 98.33 C ATOM 113 NE ARG A 12 35.356 -23.877 48.577 1.00108.09 N ATOM 114 CZ ARG A 12 34.357 -23.394 47.844 1.00110.18 C ATOM 115 NH1 ARG A 12 33.122 -23.386 48.327 1.00113.43 N ATOM 116 NH2 ARG A 12 34.593 -22.911 46.632 1.00106.20 N ATOM 117 HE ARG A 12 36.312 -23.858 48.169 1.00 0.00 H ATOM 118 HH12 ARG A 12 32.342 -23.008 47.753 1.00 0.00 H ATOM 119 HH11 ARG A 12 32.934 -23.758 49.280 1.00 0.00 H ATOM 120 HH22 ARG A 12 33.810 -22.534 46.061 1.00 0.00 H ATOM 121 HH21 ARG A 12 35.561 -22.909 46.252 1.00 0.00 H ATOM 122 H ARG A 12 32.703 -28.264 50.810 1.00 0.00 H ATOM 123 N TYR A 13 35.901 -28.885 53.320 1.00 52.60 N ATOM 124 CA TYR A 13 35.931 -29.462 54.654 1.00 61.71 C ATOM 125 C TYR A 13 37.083 -28.948 55.505 1.00 68.76 C ATOM 126 O TYR A 13 38.090 -28.458 54.992 1.00 64.28 O ATOM 127 CB TYR A 13 35.995 -30.988 54.567 1.00 59.96 C ATOM 128 CG TYR A 13 37.316 -31.517 54.054 1.00 66.88 C ATOM 129 CD1 TYR A 13 37.592 -31.553 52.693 1.00 67.58 C ATOM 130 CD2 TYR A 13 38.285 -31.986 54.932 1.00 72.57 C ATOM 131 CE1 TYR A 13 38.797 -32.038 52.220 1.00 66.72 C ATOM 132 CE2 TYR A 13 39.492 -32.472 54.469 1.00 76.85 C ATOM 133 CZ TYR A 13 39.743 -32.496 53.114 1.00 72.72 C ATOM 134 OH TYR A 13 40.944 -32.980 52.652 1.00 74.79 O ATOM 135 HH TYR A 13 41.683 -32.438 53.026 1.00 0.00 H ATOM 136 H TYR A 13 36.782 -28.796 52.774 1.00 0.00 H ATOM 137 N THR A 14 36.913 -29.068 56.817 1.00 71.52 N ATOM 138 CA THR A 14 37.987 -28.815 57.763 1.00 67.24 C ATOM 139 C THR A 14 38.008 -29.950 58.773 1.00 66.37 C ATOM 140 O THR A 14 37.022 -30.192 59.471 1.00 63.66 O ATOM 141 CB THR A 14 37.807 -27.478 58.497 1.00 64.21 C ATOM 142 OG1 THR A 14 37.897 -26.402 57.557 1.00 57.67 O ATOM 143 CG2 THR A 14 38.887 -27.306 59.548 1.00 73.35 C ATOM 144 HG1 THR A 14 37.781 -25.541 58.031 1.00 0.00 H ATOM 145 H THR A 14 35.981 -29.352 57.179 1.00 0.00 H ATOM 146 N LEU A 15 39.131 -30.655 58.834 1.00 63.94 N ATOM 147 CA LEU A 15 39.259 -31.795 59.730 1.00 71.59 C ATOM 148 C LEU A 15 39.948 -31.406 61.031 1.00 81.62 C ATOM 149 O LEU A 15 41.058 -30.880 61.026 1.00 93.12 O ATOM 150 CB LEU A 15 40.023 -32.933 59.049 1.00 64.14 C ATOM 151 CG LEU A 15 40.379 -34.137 59.924 1.00 72.07 C ATOM 152 CD1 LEU A 15 39.140 -34.727 60.577 1.00 80.88 C ATOM 153 CD2 LEU A 15 41.103 -35.195 59.110 1.00 71.23 C ATOM 154 H LEU A 15 39.935 -30.388 58.230 1.00 0.00 H ATOM 155 N GLN A 16 39.276 -31.670 62.145 1.00 77.76 N ATOM 156 CA GLN A 16 39.859 -31.436 63.455 1.00 91.25 C ATOM 157 C GLN A 16 39.897 -32.709 64.290 1.00 84.35 C ATOM 158 O GLN A 16 38.981 -33.530 64.238 1.00 71.56 O ATOM 159 CB GLN A 16 39.096 -30.343 64.204 1.00108.69 C ATOM 160 CG GLN A 16 39.347 -28.939 63.685 1.00110.53 C ATOM 161 CD GLN A 16 38.621 -27.887 64.496 1.00 98.03 C ATOM 162 OE1 GLN A 16 38.936 -26.700 64.420 1.00 84.89 O ATOM 163 NE2 GLN A 16 37.641 -28.319 65.280 1.00 98.40 N ATOM 164 HE22 GLN A 16 37.409 -29.332 65.312 1.00 0.00 H ATOM 165 HE21 GLN A 16 37.105 -27.644 65.862 1.00 0.00 H ATOM 166 H GLN A 16 38.311 -32.053 62.079 1.00 0.00 H ATOM 167 N VAL A 17 40.975 -32.873 65.049 1.00 89.62 N ATOM 168 CA VAL A 17 41.075 -33.957 66.014 1.00 88.48 C ATOM 169 C VAL A 17 41.555 -33.394 67.345 1.00104.89 C ATOM 170 O VAL A 17 42.711 -32.983 67.467 1.00108.62 O ATOM 171 CB VAL A 17 42.055 -35.052 65.549 1.00 71.54 C ATOM 172 CG1 VAL A 17 42.038 -36.219 66.522 1.00 76.64 C ATOM 173 CG2 VAL A 17 41.697 -35.528 64.160 1.00 50.15 C ATOM 174 H VAL A 17 41.769 -32.208 64.951 1.00 0.00 H ATOM 175 N GLU A 18 40.653 -33.361 68.323 1.00110.87 N ATOM 176 CA GLU A 18 40.943 -32.855 69.665 1.00115.83 C ATOM 177 C GLU A 18 41.312 -31.367 69.694 1.00115.87 C ATOM 178 O GLU A 18 41.875 -30.883 70.677 1.00135.56 O ATOM 179 CB GLU A 18 42.044 -33.679 70.340 1.00119.97 C ATOM 180 CG GLU A 18 41.805 -35.182 70.344 1.00126.77 C ATOM 181 CD GLU A 18 43.027 -35.960 70.799 1.00136.61 C ATOM 182 OE1 GLU A 18 43.869 -35.378 71.516 1.00141.03 O ATOM 183 OE2 GLU A 18 43.148 -37.148 70.432 1.00135.17 O ATOM 184 H GLU A 18 39.695 -33.712 68.124 1.00 0.00 H ATOM 185 N GLY A 19 41.003 -30.648 68.617 1.00 96.63 N ATOM 186 CA GLY A 19 41.246 -29.215 68.556 1.00 91.42 C ATOM 187 C GLY A 19 42.308 -28.853 67.537 1.00 90.75 C ATOM 188 O GLY A 19 42.410 -27.705 67.100 1.00 94.38 O ATOM 189 H GLY A 19 40.576 -31.124 67.797 1.00 0.00 H ATOM 190 N GLU A 20 43.106 -29.846 67.161 1.00 93.80 N ATOM 191 CA GLU A 20 44.137 -29.660 66.148 1.00105.01 C ATOM 192 C GLU A 20 43.545 -29.723 64.743 1.00106.85 C ATOM 193 O GLU A 20 43.056 -30.768 64.312 1.00 97.95 O ATOM 194 CB GLU A 20 45.239 -30.713 66.297 1.00110.07 C ATOM 195 CG GLU A 20 46.619 -30.127 66.553 1.00114.91 C ATOM 196 CD GLU A 20 47.721 -31.169 66.529 1.00120.36 C ATOM 197 OE1 GLU A 20 47.431 -32.346 66.221 1.00113.88 O ATOM 198 OE2 GLU A 20 48.879 -30.804 66.819 1.00133.38 O ATOM 199 H GLU A 20 42.992 -30.781 67.601 1.00 0.00 H ATOM 200 N VAL A 21 43.588 -28.600 64.033 1.00108.91 N ATOM 201 CA VAL A 21 43.105 -28.549 62.660 1.00 95.41 C ATOM 202 C VAL A 21 44.089 -29.285 61.759 1.00 97.63 C ATOM 203 O VAL A 21 45.035 -28.693 61.239 1.00101.51 O ATOM 204 CB VAL A 21 42.936 -27.096 62.176 1.00 87.27 C ATOM 205 CG1 VAL A 21 42.346 -27.063 60.775 1.00 75.05 C ATOM 206 CG2 VAL A 21 42.057 -26.320 63.144 1.00 94.59 C ATOM 207 H VAL A 21 43.975 -27.738 64.468 1.00 0.00 H ATOM 208 N LEU A 22 43.868 -30.584 61.589 1.00102.29 N ATOM 209 CA LEU A 22 44.802 -31.423 60.845 1.00104.02 C ATOM 210 C LEU A 22 44.851 -31.104 59.352 1.00107.77 C ATOM 211 O LEU A 22 45.927 -30.882 58.798 1.00109.41 O ATOM 212 CB LEU A 22 44.498 -32.910 61.060 1.00 93.42 C ATOM 213 CG LEU A 22 44.881 -33.512 62.414 1.00 90.41 C ATOM 214 CD1 LEU A 22 44.819 -35.033 62.366 1.00 84.59 C ATOM 215 CD2 LEU A 22 46.262 -33.045 62.847 1.00 91.05 C ATOM 216 H LEU A 22 43.011 -31.012 61.995 1.00 0.00 H ATOM 217 N ASP A 23 43.692 -31.079 58.701 1.00104.64 N ATOM 218 CA ASP A 23 43.661 -30.909 57.252 1.00 96.83 C ATOM 219 C ASP A 23 42.494 -30.052 56.761 1.00 84.51 C ATOM 220 O ASP A 23 41.456 -29.949 57.417 1.00 80.03 O ATOM 221 CB ASP A 23 43.656 -32.277 56.562 1.00100.14 C ATOM 222 CG ASP A 23 43.751 -32.172 55.053 1.00111.95 C ATOM 223 OD1 ASP A 23 44.807 -31.729 54.553 1.00118.78 O ATOM 224 OD2 ASP A 23 42.772 -32.536 54.368 1.00115.34 O ATOM 225 H ASP A 23 42.801 -31.181 59.228 1.00 0.00 H ATOM 226 N GLN A 24 42.688 -29.434 55.600 1.00 78.61 N ATOM 227 CA GLN A 24 41.671 -28.609 54.969 1.00 86.90 C ATOM 228 C GLN A 24 41.652 -28.946 53.484 1.00 92.11 C ATOM 229 O GLN A 24 42.509 -29.689 53.005 1.00 96.40 O ATOM 230 CB GLN A 24 42.008 -27.132 55.167 1.00 87.32 C ATOM 231 CG GLN A 24 40.810 -26.204 55.205 1.00 93.84 C ATOM 232 CD GLN A 24 41.186 -24.806 55.655 1.00103.95 C ATOM 233 OE1 GLN A 24 42.326 -24.373 55.485 1.00108.58 O ATOM 234 NE2 GLN A 24 40.231 -24.096 56.245 1.00105.38 N ATOM 235 HE22 GLN A 24 39.281 -24.502 56.368 1.00 0.00 H ATOM 236 HE21 GLN A 24 40.433 -23.134 56.584 1.00 0.00 H ATOM 237 H GLN A 24 43.606 -29.545 55.123 1.00 0.00 H ATOM 238 N GLY A 25 40.679 -28.412 52.753 1.00 81.88 N ATOM 239 CA GLY A 25 40.644 -28.617 51.317 1.00 77.54 C ATOM 240 C GLY A 25 39.275 -28.869 50.716 1.00 73.88 C ATOM 241 O GLY A 25 38.243 -28.567 51.317 1.00 66.62 O ATOM 242 H GLY A 25 39.939 -27.844 53.213 1.00 0.00 H ATOM 243 N GLU A 26 39.274 -29.436 49.515 1.00 71.48 N ATOM 244 CA GLU A 26 38.048 -29.610 48.752 1.00 70.22 C ATOM 245 C GLU A 26 38.105 -30.906 47.946 1.00 64.52 C ATOM 246 O GLU A 26 39.115 -31.203 47.307 1.00 67.97 O ATOM 247 CB GLU A 26 37.856 -28.413 47.817 1.00 68.32 C ATOM 248 CG GLU A 26 36.449 -28.242 47.275 1.00 78.98 C ATOM 249 CD GLU A 26 36.358 -27.140 46.231 1.00 85.13 C ATOM 250 OE1 GLU A 26 35.548 -26.208 46.417 1.00 86.36 O ATOM 251 OE2 GLU A 26 37.091 -27.210 45.222 1.00 82.62 O ATOM 252 H GLU A 26 40.174 -29.764 49.109 1.00 0.00 H ATOM 253 N LEU A 27 37.023 -31.678 47.980 1.00 55.44 N ATOM 254 CA LEU A 27 36.953 -32.914 47.204 1.00 50.60 C ATOM 255 C LEU A 27 35.587 -33.129 46.570 1.00 47.55 C ATOM 256 O LEU A 27 34.607 -32.475 46.930 1.00 49.00 O ATOM 257 CB LEU A 27 37.327 -34.134 48.061 1.00 37.30 C ATOM 258 CG LEU A 27 36.519 -34.487 49.317 1.00 42.18 C ATOM 259 CD1 LEU A 27 35.265 -35.288 48.999 1.00 39.81 C ATOM 260 CD2 LEU A 27 37.390 -35.255 50.296 1.00 51.20 C ATOM 261 H LEU A 27 36.213 -31.397 48.569 1.00 0.00 H ATOM 262 N SER A 28 35.539 -34.055 45.621 1.00 44.13 N ATOM 263 CA SER A 28 34.279 -34.552 45.097 1.00 40.84 C ATOM 264 C SER A 28 34.275 -36.071 45.203 1.00 45.55 C ATOM 265 O SER A 28 35.312 -36.715 45.043 1.00 57.29 O ATOM 266 CB SER A 28 34.077 -34.106 43.652 1.00 41.99 C ATOM 267 OG SER A 28 34.001 -32.696 43.574 1.00 49.15 O ATOM 268 HG SER A 28 33.238 -32.377 44.119 1.00 0.00 H ATOM 269 H SER A 28 36.429 -34.436 45.241 1.00 0.00 H ATOM 270 N TYR A 29 33.114 -36.641 45.493 1.00 37.24 N ATOM 271 CA TYR A 29 32.997 -38.086 45.610 1.00 40.26 C ATOM 272 C TYR A 29 31.678 -38.564 45.019 1.00 47.23 C ATOM 273 O TYR A 29 30.728 -37.791 44.884 1.00 45.36 O ATOM 274 CB TYR A 29 33.098 -38.514 47.078 1.00 38.53 C ATOM 275 CG TYR A 29 31.862 -38.208 47.897 1.00 34.53 C ATOM 276 CD1 TYR A 29 30.948 -39.206 48.209 1.00 39.31 C ATOM 277 CD2 TYR A 29 31.610 -36.925 48.359 1.00 31.23 C ATOM 278 CE1 TYR A 29 29.820 -38.936 48.958 1.00 37.56 C ATOM 279 CE2 TYR A 29 30.485 -36.643 49.108 1.00 37.87 C ATOM 280 CZ TYR A 29 29.592 -37.653 49.403 1.00 38.89 C ATOM 281 OH TYR A 29 28.467 -37.380 50.147 1.00 39.69 O ATOM 282 HH TYR A 29 27.941 -38.210 50.264 1.00 0.00 H ATOM 283 H TYR A 29 32.274 -36.046 45.639 1.00 0.00 H ATOM 284 N LEU A 30 31.628 -39.841 44.659 1.00 42.72 N ATOM 285 CA LEU A 30 30.384 -40.451 44.222 1.00 29.71 C ATOM 286 C LEU A 30 29.671 -41.010 45.445 1.00 31.69 C ATOM 287 O LEU A 30 30.174 -41.915 46.113 1.00 42.18 O ATOM 288 CB LEU A 30 30.650 -41.548 43.192 1.00 29.41 C ATOM 289 CG LEU A 30 29.432 -42.260 42.604 1.00 33.27 C ATOM 290 CD1 LEU A 30 28.447 -41.251 42.045 1.00 26.32 C ATOM 291 CD2 LEU A 30 29.866 -43.242 41.528 1.00 25.80 C ATOM 292 H LEU A 30 32.495 -40.415 44.690 1.00 0.00 H ATOM 293 N HIS A 31 28.500 -40.453 45.736 1.00 33.05 N ATOM 294 CA HIS A 31 27.742 -40.800 46.935 1.00 37.54 C ATOM 295 C HIS A 31 27.075 -42.171 46.818 1.00 45.39 C ATOM 296 O HIS A 31 26.473 -42.493 45.792 1.00 51.57 O ATOM 297 CB HIS A 31 26.691 -39.721 47.210 1.00 28.81 C ATOM 298 CG HIS A 31 26.029 -39.839 48.547 1.00 33.24 C ATOM 299 ND1 HIS A 31 26.469 -39.153 49.659 1.00 35.27 N ATOM 300 CD2 HIS A 31 24.953 -40.558 48.951 1.00 37.01 C ATOM 301 CE1 HIS A 31 25.695 -39.445 50.689 1.00 47.08 C ATOM 302 NE2 HIS A 31 24.769 -40.298 50.287 1.00 31.08 N ATOM 303 H HIS A 31 28.108 -39.743 45.085 1.00 0.00 H ATOM 304 N GLY A 32 27.189 -42.975 47.872 1.00 32.13 N ATOM 305 CA GLY A 32 26.537 -44.270 47.921 1.00 34.85 C ATOM 306 C GLY A 32 27.326 -45.415 47.310 1.00 38.62 C ATOM 307 O GLY A 32 26.758 -46.465 47.008 1.00 33.50 O ATOM 308 H GLY A 32 27.762 -42.666 48.683 1.00 0.00 H ATOM 309 N HIS A 33 28.630 -45.221 47.133 1.00 38.53 N ATOM 310 CA HIS A 33 29.491 -46.263 46.575 1.00 31.35 C ATOM 311 C HIS A 33 30.651 -46.612 47.502 1.00 35.45 C ATOM 312 O HIS A 33 31.659 -47.168 47.061 1.00 39.13 O ATOM 313 CB HIS A 33 30.025 -45.837 45.209 1.00 29.34 C ATOM 314 CG HIS A 33 28.984 -45.819 44.135 1.00 28.48 C ATOM 315 ND1 HIS A 33 29.053 -46.630 43.021 1.00 30.60 N ATOM 316 CD2 HIS A 33 27.849 -45.094 44.003 1.00 25.47 C ATOM 317 CE1 HIS A 33 28.008 -46.400 42.249 1.00 41.67 C ATOM 318 NE2 HIS A 33 27.259 -45.474 42.822 1.00 28.05 N ATOM 319 H HIS A 33 29.047 -44.306 47.398 1.00 0.00 H ATOM 320 N ARG A 34 30.491 -46.281 48.782 1.00 34.53 N ATOM 321 CA ARG A 34 31.512 -46.506 49.804 1.00 34.97 C ATOM 322 C ARG A 34 32.840 -45.808 49.495 1.00 37.34 C ATOM 323 O ARG A 34 33.907 -46.349 49.778 1.00 28.21 O ATOM 324 CB ARG A 34 31.752 -48.003 50.039 1.00 28.18 C ATOM 325 CG ARG A 34 30.507 -48.807 50.325 1.00 28.44 C ATOM 326 CD ARG A 34 30.838 -50.156 50.955 1.00 29.25 C ATOM 327 NE ARG A 34 31.618 -51.011 50.072 1.00 29.09 N ATOM 328 CZ ARG A 34 32.058 -52.223 50.402 1.00 49.37 C ATOM 329 NH1 ARG A 34 31.794 -52.722 51.597 1.00 30.93 N ATOM 330 NH2 ARG A 34 32.764 -52.939 49.537 1.00 56.35 N ATOM 331 HE ARG A 34 31.846 -50.652 49.123 1.00 0.00 H ATOM 332 HH12 ARG A 34 32.139 -53.669 51.853 1.00 0.00 H ATOM 333 HH11 ARG A 34 31.241 -52.167 52.282 1.00 0.00 H ATOM 334 HH22 ARG A 34 33.105 -53.885 49.801 1.00 0.00 H ATOM 335 HH21 ARG A 34 32.977 -52.554 48.595 1.00 0.00 H ATOM 336 H ARG A 34 29.594 -45.840 49.069 1.00 0.00 H ATOM 337 N ASN A 35 32.774 -44.610 48.922 1.00 27.70 N ATOM 338 CA ASN A 35 33.988 -43.865 48.595 1.00 37.85 C ATOM 339 C ASN A 35 34.397 -42.903 49.700 1.00 35.24 C ATOM 340 O ASN A 35 35.565 -42.539 49.826 1.00 44.30 O ATOM 341 CB ASN A 35 33.820 -43.102 47.282 1.00 27.60 C ATOM 342 CG ASN A 35 33.707 -44.018 46.095 1.00 31.35 C ATOM 343 OD1 ASN A 35 34.276 -45.109 46.085 1.00 43.85 O ATOM 344 ND2 ASN A 35 32.963 -43.587 45.083 1.00 35.06 N ATOM 345 HD22 ASN A 35 32.501 -42.657 45.137 1.00 0.00 H ATOM 346 HD21 ASN A 35 32.842 -44.180 44.237 1.00 0.00 H ATOM 347 H ASN A 35 31.845 -44.197 48.703 1.00 0.00 H ATOM 348 N LEU A 36 33.417 -42.492 50.493 1.00 30.56 N ATOM 349 CA LEU A 36 33.645 -41.580 51.599 1.00 36.67 C ATOM 350 C LEU A 36 33.424 -42.354 52.885 1.00 43.69 C ATOM 351 O LEU A 36 32.698 -43.353 52.890 1.00 41.56 O ATOM 352 CB LEU A 36 32.657 -40.418 51.519 1.00 30.64 C ATOM 353 CG LEU A 36 32.916 -39.154 52.333 1.00 41.89 C ATOM 354 CD1 LEU A 36 34.158 -38.435 51.826 1.00 42.30 C ATOM 355 CD2 LEU A 36 31.696 -38.245 52.272 1.00 36.39 C ATOM 356 H LEU A 36 32.451 -42.835 50.316 1.00 0.00 H ATOM 357 N ILE A 37 34.046 -41.904 53.970 1.00 41.65 N ATOM 358 CA ILE A 37 33.857 -42.560 55.258 1.00 42.58 C ATOM 359 C ILE A 37 32.381 -42.525 55.654 1.00 47.02 C ATOM 360 O ILE A 37 31.713 -41.504 55.479 1.00 46.69 O ATOM 361 CB ILE A 37 34.740 -41.951 56.373 1.00 41.42 C ATOM 362 CG1 ILE A 37 34.497 -40.448 56.509 1.00 37.03 C ATOM 363 CG2 ILE A 37 36.214 -42.247 56.110 1.00 44.51 C ATOM 364 CD1 ILE A 37 35.267 -39.815 57.646 1.00 39.21 C ATOM 365 H ILE A 37 34.673 -41.077 53.899 1.00 0.00 H ATOM 366 N PRO A 38 31.867 -43.658 56.163 1.00 43.13 N ATOM 367 CA PRO A 38 30.453 -43.841 56.510 1.00 33.98 C ATOM 368 C PRO A 38 29.854 -42.673 57.291 1.00 52.00 C ATOM 369 O PRO A 38 28.867 -42.086 56.846 1.00 50.27 O ATOM 370 CB PRO A 38 30.480 -45.095 57.385 1.00 34.72 C ATOM 371 CG PRO A 38 31.615 -45.880 56.846 1.00 52.23 C ATOM 372 CD PRO A 38 32.656 -44.873 56.437 1.00 41.96 C ATOM 373 N GLY A 39 30.453 -42.343 58.432 1.00 44.65 N ATOM 374 CA GLY A 39 29.968 -41.270 59.282 1.00 45.28 C ATOM 375 C GLY A 39 29.747 -39.953 58.564 1.00 43.12 C ATOM 376 O GLY A 39 28.689 -39.338 58.691 1.00 53.91 O ATOM 377 H GLY A 39 31.299 -42.872 58.726 1.00 0.00 H ATOM 378 N LEU A 40 30.744 -39.521 57.803 1.00 42.51 N ATOM 379 CA LEU A 40 30.660 -38.256 57.085 1.00 48.70 C ATOM 380 C LEU A 40 29.649 -38.334 55.942 1.00 53.98 C ATOM 381 O LEU A 40 29.078 -37.322 55.534 1.00 51.06 O ATOM 382 CB LEU A 40 32.035 -37.857 56.551 1.00 48.06 C ATOM 383 CG LEU A 40 32.163 -36.456 55.956 1.00 50.83 C ATOM 384 CD1 LEU A 40 31.760 -35.405 56.981 1.00 45.39 C ATOM 385 CD2 LEU A 40 33.583 -36.214 55.458 1.00 54.59 C ATOM 386 H LEU A 40 31.605 -40.098 57.717 1.00 0.00 H ATOM 387 N GLU A 41 29.429 -39.540 55.431 1.00 52.89 N ATOM 388 CA GLU A 41 28.484 -39.739 54.341 1.00 39.80 C ATOM 389 C GLU A 41 27.056 -39.701 54.866 1.00 48.28 C ATOM 390 O GLU A 41 26.175 -39.092 54.256 1.00 51.18 O ATOM 391 CB GLU A 41 28.760 -41.062 53.625 1.00 44.39 C ATOM 392 CG GLU A 41 27.813 -41.356 52.469 1.00 48.23 C ATOM 393 CD GLU A 41 28.309 -42.478 51.573 1.00 46.01 C ATOM 394 OE1 GLU A 41 28.667 -43.552 52.102 1.00 42.75 O ATOM 395 OE2 GLU A 41 28.346 -42.281 50.340 1.00 49.59 O ATOM 396 H GLU A 41 29.942 -40.358 55.817 1.00 0.00 H ATOM 397 N GLU A 42 26.840 -40.354 56.004 1.00 51.27 N ATOM 398 CA GLU A 42 25.532 -40.379 56.649 1.00 43.91 C ATOM 399 C GLU A 42 25.099 -38.965 57.009 1.00 42.75 C ATOM 400 O GLU A 42 23.915 -38.633 56.963 1.00 48.16 O ATOM 401 CB GLU A 42 25.577 -41.246 57.909 1.00 38.68 C ATOM 402 CG GLU A 42 25.883 -42.718 57.663 1.00 61.10 C ATOM 403 CD GLU A 42 26.287 -43.449 58.935 1.00 79.67 C ATOM 404 OE1 GLU A 42 26.656 -44.641 58.848 1.00 78.51 O ATOM 405 OE2 GLU A 42 26.237 -42.831 60.022 1.00 82.92 O ATOM 406 H GLU A 42 27.630 -40.864 56.449 1.00 0.00 H ATOM 407 N ALA A 43 26.075 -38.137 57.364 1.00 39.82 N ATOM 408 CA ALA A 43 25.815 -36.757 57.745 1.00 48.25 C ATOM 409 C ALA A 43 25.477 -35.916 56.525 1.00 55.43 C ATOM 410 O ALA A 43 24.827 -34.878 56.636 1.00 70.15 O ATOM 411 CB ALA A 43 27.017 -36.174 58.477 1.00 42.69 C ATOM 412 H ALA A 43 27.055 -38.486 57.370 1.00 0.00 H ATOM 413 N LEU A 44 25.918 -36.372 55.358 1.00 60.29 N ATOM 414 CA LEU A 44 25.717 -35.628 54.119 1.00 58.96 C ATOM 415 C LEU A 44 24.420 -35.997 53.403 1.00 52.20 C ATOM 416 O LEU A 44 23.957 -35.258 52.534 1.00 48.19 O ATOM 417 CB LEU A 44 26.909 -35.825 53.184 1.00 36.65 C ATOM 418 CG LEU A 44 28.088 -34.884 53.422 1.00 45.77 C ATOM 419 CD1 LEU A 44 29.336 -35.390 52.721 1.00 35.94 C ATOM 420 CD2 LEU A 44 27.736 -33.487 52.940 1.00 46.88 C ATOM 421 H LEU A 44 26.419 -37.283 55.327 1.00 0.00 H ATOM 422 N GLU A 45 23.841 -37.136 53.772 1.00 42.30 N ATOM 423 CA GLU A 45 22.629 -37.630 53.126 1.00 47.04 C ATOM 424 C GLU A 45 21.475 -36.635 53.226 1.00 63.37 C ATOM 425 O GLU A 45 21.096 -36.219 54.321 1.00 78.32 O ATOM 426 CB GLU A 45 22.213 -38.973 53.731 1.00 42.95 C ATOM 427 CG GLU A 45 20.982 -39.593 53.087 1.00 44.31 C ATOM 428 CD GLU A 45 21.271 -40.181 51.716 1.00 56.63 C ATOM 429 OE1 GLU A 45 22.463 -40.387 51.395 1.00 54.72 O ATOM 430 OE2 GLU A 45 20.307 -40.441 50.961 1.00 49.50 O ATOM 431 H GLU A 45 24.264 -37.691 54.543 1.00 0.00 H ATOM 432 N GLY A 46 20.933 -36.251 52.073 1.00 60.71 N ATOM 433 CA GLY A 46 19.770 -35.383 52.016 1.00 50.40 C ATOM 434 C GLY A 46 20.071 -33.896 51.999 1.00 51.95 C ATOM 435 O GLY A 46 19.167 -33.081 51.822 1.00 42.88 O ATOM 436 H GLY A 46 21.356 -36.583 51.183 1.00 0.00 H ATOM 437 N ARG A 47 21.338 -33.537 52.180 1.00 59.14 N ATOM 438 CA ARG A 47 21.735 -32.133 52.245 1.00 67.28 C ATOM 439 C ARG A 47 21.592 -31.422 50.900 1.00 68.50 C ATOM 440 O ARG A 47 21.712 -32.041 49.843 1.00 75.09 O ATOM 441 CB ARG A 47 23.176 -32.009 52.741 1.00 77.75 C ATOM 442 CG ARG A 47 23.417 -32.585 54.130 1.00 77.54 C ATOM 443 CD ARG A 47 22.854 -31.693 55.221 1.00 75.69 C ATOM 444 NE ARG A 47 23.337 -32.096 56.538 1.00 76.54 N ATOM 445 CZ ARG A 47 23.203 -31.366 57.640 1.00 66.64 C ATOM 446 NH1 ARG A 47 22.600 -30.186 57.586 1.00 63.52 N ATOM 447 NH2 ARG A 47 23.678 -31.815 58.795 1.00 59.07 N ATOM 448 HE ARG A 47 23.818 -33.015 56.619 1.00 0.00 H ATOM 449 HH12 ARG A 47 22.496 -29.615 58.449 1.00 0.00 H ATOM 450 HH11 ARG A 47 22.232 -29.831 56.680 1.00 0.00 H ATOM 451 HH22 ARG A 47 23.573 -31.244 59.658 1.00 0.00 H ATOM 452 HH21 ARG A 47 24.155 -32.738 58.837 1.00 0.00 H ATOM 453 H ARG A 47 22.065 -34.274 52.278 1.00 0.00 H ATOM 454 N GLU A 48 21.338 -30.117 50.953 1.00 68.76 N ATOM 455 CA GLU A 48 21.200 -29.301 49.750 1.00 64.84 C ATOM 456 C GLU A 48 22.486 -28.549 49.427 1.00 66.70 C ATOM 457 O GLU A 48 23.378 -28.438 50.269 1.00 63.72 O ATOM 458 CB GLU A 48 20.048 -28.304 49.908 1.00 64.48 C ATOM 459 CG GLU A 48 18.699 -28.813 49.429 1.00 80.46 C ATOM 460 CD GLU A 48 18.568 -28.792 47.914 1.00 98.65 C ATOM 461 OE1 GLU A 48 17.545 -29.291 47.397 1.00 95.81 O ATOM 462 OE2 GLU A 48 19.483 -28.270 47.240 1.00105.21 O ATOM 463 H GLU A 48 21.234 -29.663 51.883 1.00 0.00 H ATOM 464 N GLU A 49 22.575 -28.036 48.203 1.00 71.04 N ATOM 465 CA GLU A 49 23.704 -27.205 47.799 1.00 70.54 C ATOM 466 C GLU A 49 23.754 -25.925 48.625 1.00 75.66 C ATOM 467 O GLU A 49 22.798 -25.149 48.643 1.00 82.75 O ATOM 468 CB GLU A 49 23.613 -26.849 46.313 1.00 69.21 C ATOM 469 CG GLU A 49 24.165 -27.903 45.372 1.00 79.54 C ATOM 470 CD GLU A 49 24.039 -27.499 43.914 1.00 91.03 C ATOM 471 OE1 GLU A 49 23.122 -28.007 43.233 1.00 96.30 O ATOM 472 OE2 GLU A 49 24.854 -26.672 43.449 1.00 84.29 O ATOM 473 H GLU A 49 21.820 -28.233 47.516 1.00 0.00 H ATOM 474 N GLY A 50 24.870 -25.710 49.312 1.00 67.48 N ATOM 475 CA GLY A 50 25.062 -24.493 50.075 1.00 70.65 C ATOM 476 C GLY A 50 25.049 -24.693 51.577 1.00 70.63 C ATOM 477 O GLY A 50 25.641 -23.904 52.311 1.00 76.05 O ATOM 478 H GLY A 50 25.621 -26.429 49.302 1.00 0.00 H ATOM 479 N GLU A 51 24.376 -25.747 52.033 1.00 70.06 N ATOM 480 CA GLU A 51 24.256 -26.025 53.463 1.00 66.83 C ATOM 481 C GLU A 51 25.611 -26.161 54.149 1.00 70.69 C ATOM 482 O GLU A 51 26.539 -26.757 53.602 1.00 70.12 O ATOM 483 CB GLU A 51 23.435 -27.295 53.706 1.00 62.69 C ATOM 484 CG GLU A 51 21.979 -27.205 53.285 1.00 63.88 C ATOM 485 CD GLU A 51 21.117 -28.246 53.972 1.00 69.77 C ATOM 486 OE1 GLU A 51 20.031 -28.567 53.446 1.00 71.65 O ATOM 487 OE2 GLU A 51 21.524 -28.740 55.045 1.00 75.93 O ATOM 488 H GLU A 51 23.923 -26.390 51.353 1.00 0.00 H ATOM 489 N ALA A 52 25.716 -25.600 55.349 1.00 80.24 N ATOM 490 CA ALA A 52 26.926 -25.719 56.154 1.00 81.71 C ATOM 491 C ALA A 52 26.590 -26.321 57.512 1.00 79.62 C ATOM 492 O ALA A 52 25.620 -25.918 58.154 1.00 79.30 O ATOM 493 CB ALA A 52 27.592 -24.365 56.321 1.00 81.87 C ATOM 494 H ALA A 52 24.911 -25.060 55.725 1.00 0.00 H ATOM 495 N PHE A 53 27.393 -27.285 57.946 1.00 77.89 N ATOM 496 CA PHE A 53 27.121 -27.988 59.192 1.00 83.29 C ATOM 497 C PHE A 53 28.385 -28.574 59.815 1.00 83.13 C ATOM 498 O PHE A 53 29.456 -28.560 59.207 1.00 77.52 O ATOM 499 CB PHE A 53 26.079 -29.090 58.964 1.00 81.97 C ATOM 500 CG PHE A 53 26.558 -30.209 58.079 1.00 91.42 C ATOM 501 CD1 PHE A 53 26.936 -31.426 58.624 1.00 93.64 C ATOM 502 CD2 PHE A 53 26.630 -30.046 56.704 1.00 95.67 C ATOM 503 CE1 PHE A 53 27.377 -32.459 57.815 1.00 93.25 C ATOM 504 CE2 PHE A 53 27.072 -31.074 55.890 1.00 88.36 C ATOM 505 CZ PHE A 53 27.445 -32.282 56.446 1.00 88.36 C ATOM 506 H PHE A 53 28.231 -27.543 57.386 1.00 0.00 H ATOM 507 N GLN A 54 28.249 -29.079 61.037 1.00 84.59 N ATOM 508 CA GLN A 54 29.352 -29.738 61.725 1.00 79.72 C ATOM 509 C GLN A 54 29.031 -31.210 61.952 1.00 73.52 C ATOM 510 O GLN A 54 27.864 -31.585 62.085 1.00 64.30 O ATOM 511 CB GLN A 54 29.659 -29.041 63.051 1.00 82.78 C ATOM 512 CG GLN A 54 30.154 -27.615 62.888 1.00 98.28 C ATOM 513 CD GLN A 54 30.596 -26.990 64.196 1.00113.81 C ATOM 514 OE1 GLN A 54 30.092 -27.336 65.266 1.00124.82 O ATOM 515 NE2 GLN A 54 31.547 -26.066 64.118 1.00111.04 N ATOM 516 HE22 GLN A 54 31.944 -25.805 63.193 1.00 0.00 H ATOM 517 HE21 GLN A 54 31.895 -25.603 64.982 1.00 0.00 H ATOM 518 H GLN A 54 27.329 -29.002 61.516 1.00 0.00 H ATOM 519 N ALA A 55 30.067 -32.042 61.992 1.00 67.56 N ATOM 520 CA ALA A 55 29.878 -33.481 62.121 1.00 58.93 C ATOM 521 C ALA A 55 30.940 -34.142 62.992 1.00 66.36 C ATOM 522 O ALA A 55 32.139 -33.959 62.780 1.00 67.28 O ATOM 523 CB ALA A 55 29.847 -34.132 60.747 1.00 52.55 C ATOM 524 H ALA A 55 31.032 -31.658 61.930 1.00 0.00 H ATOM 525 N HIS A 56 30.485 -34.910 63.976 1.00 71.06 N ATOM 526 CA HIS A 56 31.378 -35.707 64.806 1.00 72.11 C ATOM 527 C HIS A 56 31.362 -37.150 64.314 1.00 64.41 C ATOM 528 O HIS A 56 30.305 -37.777 64.242 1.00 63.25 O ATOM 529 CB HIS A 56 30.950 -35.646 66.273 1.00 75.60 C ATOM 530 CG HIS A 56 31.799 -36.477 67.186 1.00 77.58 C ATOM 531 ND1 HIS A 56 32.949 -35.998 67.773 1.00 82.51 N ATOM 532 CD2 HIS A 56 31.664 -37.757 67.607 1.00 75.49 C ATOM 533 CE1 HIS A 56 33.487 -36.947 68.521 1.00 87.97 C ATOM 534 NE2 HIS A 56 32.728 -38.023 68.437 1.00 86.65 N ATOM 535 H HIS A 56 29.462 -34.943 64.159 1.00 0.00 H ATOM 536 N VAL A 57 32.533 -37.672 63.967 1.00 54.05 N ATOM 537 CA VAL A 57 32.625 -39.027 63.440 1.00 55.10 C ATOM 538 C VAL A 57 33.535 -39.907 64.291 1.00 52.97 C ATOM 539 O VAL A 57 34.746 -39.695 64.336 1.00 48.11 O ATOM 540 CB VAL A 57 33.136 -39.035 61.985 1.00 42.86 C ATOM 541 CG1 VAL A 57 33.138 -40.449 61.437 1.00 41.14 C ATOM 542 CG2 VAL A 57 32.278 -38.132 61.118 1.00 43.93 C ATOM 543 H VAL A 57 33.398 -37.104 64.073 1.00 0.00 H ATOM 544 N PRO A 58 32.949 -40.905 64.969 1.00 54.33 N ATOM 545 CA PRO A 58 33.716 -41.854 65.782 1.00 54.83 C ATOM 546 C PRO A 58 34.601 -42.721 64.897 1.00 60.82 C ATOM 547 O PRO A 58 34.383 -42.770 63.687 1.00 73.65 O ATOM 548 CB PRO A 58 32.631 -42.717 66.439 1.00 54.83 C ATOM 549 CG PRO A 58 31.364 -41.930 66.306 1.00 59.50 C ATOM 550 CD PRO A 58 31.503 -41.173 65.028 1.00 54.45 C ATOM 551 N ALA A 59 35.581 -43.392 65.493 1.00 65.31 N ATOM 552 CA ALA A 59 36.480 -44.261 64.741 1.00 43.97 C ATOM 553 C ALA A 59 35.705 -45.368 64.032 1.00 58.27 C ATOM 554 O ALA A 59 36.024 -45.728 62.900 1.00 59.03 O ATOM 555 CB ALA A 59 37.541 -44.851 65.654 1.00 45.20 C ATOM 556 H ALA A 59 35.710 -43.295 66.520 1.00 0.00 H ATOM 557 N GLU A 60 34.686 -45.893 64.707 1.00 52.22 N ATOM 558 CA GLU A 60 33.834 -46.943 64.155 1.00 56.14 C ATOM 559 C GLU A 60 33.273 -46.587 62.775 1.00 58.48 C ATOM 560 O GLU A 60 33.166 -47.447 61.899 1.00 60.59 O ATOM 561 CB GLU A 60 32.696 -47.264 65.130 1.00 68.58 C ATOM 562 CG GLU A 60 31.468 -47.915 64.500 1.00 82.62 C ATOM 563 CD GLU A 60 31.718 -49.344 64.058 1.00 90.33 C ATOM 564 OE1 GLU A 60 32.396 -50.085 64.803 1.00 97.57 O ATOM 565 OE2 GLU A 60 31.237 -49.724 62.967 1.00 73.07 O ATOM 566 H GLU A 60 34.488 -45.542 65.666 1.00 0.00 H ATOM 567 N LYS A 61 32.928 -45.318 62.582 1.00 55.54 N ATOM 568 CA LYS A 61 32.356 -44.876 61.316 1.00 63.80 C ATOM 569 C LYS A 61 33.353 -44.038 60.518 1.00 61.85 C ATOM 570 O LYS A 61 32.991 -43.391 59.532 1.00 48.81 O ATOM 571 CB LYS A 61 31.049 -44.114 61.559 1.00 59.43 C ATOM 572 CG LYS A 61 30.032 -44.919 62.357 1.00 57.17 C ATOM 573 CD LYS A 61 28.604 -44.480 62.075 1.00 55.68 C ATOM 574 CE LYS A 61 27.610 -45.495 62.621 1.00 65.56 C ATOM 575 NZ LYS A 61 26.217 -45.241 62.156 1.00 73.76 N ATOM 576 HZ1 LYS A 61 25.915 -44.297 62.470 1.00 0.00 H ATOM 577 HZ2 LYS A 61 26.185 -45.289 61.118 1.00 0.00 H ATOM 578 HZ3 LYS A 61 25.582 -45.961 62.557 1.00 0.00 H ATOM 579 H LYS A 61 33.069 -44.628 63.348 1.00 0.00 H ATOM 580 N ALA A 62 34.612 -44.064 60.946 1.00 51.77 N ATOM 581 CA ALA A 62 35.674 -43.375 60.221 1.00 46.14 C ATOM 582 C ALA A 62 36.637 -44.345 59.540 1.00 51.61 C ATOM 583 O ALA A 62 36.385 -44.798 58.424 1.00 58.20 O ATOM 584 CB ALA A 62 36.431 -42.449 61.147 1.00 44.08 C ATOM 585 H ALA A 62 34.844 -44.586 61.815 1.00 0.00 H ATOM 586 N TYR A 63 37.749 -44.651 60.203 1.00 50.25 N ATOM 587 CA TYR A 63 38.714 -45.601 59.655 1.00 49.04 C ATOM 588 C TYR A 63 38.935 -46.773 60.605 1.00 53.37 C ATOM 589 O TYR A 63 39.982 -47.424 60.591 1.00 38.33 O ATOM 590 CB TYR A 63 40.033 -44.912 59.306 1.00 36.92 C ATOM 591 CG TYR A 63 39.898 -43.910 58.181 1.00 62.79 C ATOM 592 CD1 TYR A 63 40.101 -44.286 56.856 1.00 34.70 C ATOM 593 CD2 TYR A 63 39.563 -42.589 58.442 1.00 36.43 C ATOM 594 CE1 TYR A 63 39.975 -43.374 55.825 1.00 58.97 C ATOM 595 CE2 TYR A 63 39.438 -41.668 57.418 1.00 54.07 C ATOM 596 CZ TYR A 63 39.644 -42.065 56.111 1.00 51.46 C ATOM 597 OH TYR A 63 39.516 -41.155 55.088 1.00 45.13 O ATOM 598 HH TYR A 63 39.696 -41.604 54.224 1.00 0.00 H ATOM 599 H TYR A 63 37.934 -44.207 61.125 1.00 0.00 H ATOM 600 N GLY A 64 37.926 -47.033 61.429 1.00 59.43 N ATOM 601 CA GLY A 64 37.917 -48.194 62.293 1.00 70.05 C ATOM 602 C GLY A 64 38.907 -48.168 63.434 1.00 73.97 C ATOM 603 O GLY A 64 39.485 -47.128 63.751 1.00 42.23 O ATOM 604 H GLY A 64 37.116 -46.381 61.454 1.00 0.00 H ATOM 605 N PRO A 65 39.097 -49.334 64.069 1.00 70.05 N ATOM 606 CA PRO A 65 39.980 -49.510 65.222 1.00 44.84 C ATOM 607 C PRO A 65 41.428 -49.508 64.789 1.00 44.41 C ATOM 608 O PRO A 65 41.713 -49.442 63.599 1.00 71.64 O ATOM 609 CB PRO A 65 39.591 -50.895 65.756 1.00 46.12 C ATOM 610 CG PRO A 65 39.031 -51.613 64.579 1.00 58.50 C ATOM 611 CD PRO A 65 38.392 -50.577 63.711 1.00 56.14 C ATOM 612 N HIS A 66 42.330 -49.576 65.756 1.00 75.91 N ATOM 613 CA HIS A 66 43.753 -49.603 65.485 1.00 57.76 C ATOM 614 C HIS A 66 44.281 -50.966 65.896 1.00 56.13 C ATOM 615 O HIS A 66 44.575 -51.193 67.067 1.00 61.33 O ATOM 616 CB HIS A 66 44.436 -48.506 66.297 1.00 58.04 C ATOM 617 CG HIS A 66 45.921 -48.434 66.110 1.00 62.11 C ATOM 618 ND1 HIS A 66 46.791 -49.329 66.693 1.00 59.55 N ATOM 619 CD2 HIS A 66 46.690 -47.551 65.429 1.00 59.98 C ATOM 620 CE1 HIS A 66 48.031 -49.011 66.366 1.00 63.37 C ATOM 621 NE2 HIS A 66 47.997 -47.936 65.601 1.00 59.05 N ATOM 622 H HIS A 66 42.006 -49.611 66.744 1.00 0.00 H ATOM 623 N ASP A 67 44.381 -51.882 64.939 1.00 59.82 N ATOM 624 CA ASP A 67 44.861 -53.225 65.235 1.00 61.79 C ATOM 625 C ASP A 67 46.331 -53.170 65.630 1.00 66.65 C ATOM 626 O ASP A 67 47.172 -52.723 64.851 1.00 62.39 O ATOM 627 CB ASP A 67 44.663 -54.157 64.035 1.00 58.74 C ATOM 628 CG ASP A 67 44.864 -55.630 64.390 1.00 85.47 C ATOM 629 OD1 ASP A 67 45.540 -55.934 65.395 1.00 92.93 O ATOM 630 OD2 ASP A 67 44.345 -56.495 63.654 1.00 96.41 O ATOM 631 H ASP A 67 44.113 -51.637 63.965 1.00 0.00 H ATOM 632 N PRO A 68 46.643 -53.623 66.852 1.00 73.72 N ATOM 633 CA PRO A 68 48.030 -53.661 67.318 1.00 73.95 C ATOM 634 C PRO A 68 48.881 -54.637 66.510 1.00 76.35 C ATOM 635 O PRO A 68 50.102 -54.486 66.477 1.00 73.86 O ATOM 636 CB PRO A 68 47.897 -54.133 68.768 1.00 77.44 C ATOM 637 CG PRO A 68 46.587 -54.843 68.818 1.00 75.89 C ATOM 638 CD PRO A 68 45.703 -54.087 67.886 1.00 77.96 C ATOM 639 N GLU A 69 48.248 -55.615 65.865 1.00 85.04 N ATOM 640 CA GLU A 69 48.966 -56.538 64.988 1.00 93.91 C ATOM 641 C GLU A 69 49.426 -55.848 63.704 1.00 84.05 C ATOM 642 O GLU A 69 50.244 -56.384 62.954 1.00 86.85 O ATOM 643 CB GLU A 69 48.113 -57.766 64.655 1.00 97.08 C ATOM 644 CG GLU A 69 48.176 -58.868 65.703 1.00106.60 C ATOM 645 CD GLU A 69 47.716 -60.210 65.164 1.00114.64 C ATOM 646 OE1 GLU A 69 47.027 -60.230 64.121 1.00113.11 O ATOM 647 OE2 GLU A 69 48.052 -61.246 65.779 1.00115.39 O ATOM 648 H GLU A 69 47.221 -55.724 65.988 1.00 0.00 H ATOM 649 N GLY A 70 48.895 -54.655 63.457 1.00 61.95 N ATOM 650 CA GLY A 70 49.316 -53.857 62.322 1.00 60.47 C ATOM 651 C GLY A 70 50.672 -53.213 62.549 1.00 60.76 C ATOM 652 O GLY A 70 51.272 -52.666 61.625 1.00 51.80 O ATOM 653 H GLY A 70 48.160 -54.285 64.093 1.00 0.00 H ATOM 654 N VAL A 71 51.156 -53.274 63.785 1.00 64.58 N ATOM 655 CA VAL A 71 52.459 -52.714 64.123 1.00 58.52 C ATOM 656 C VAL A 71 53.527 -53.804 64.128 1.00 62.63 C ATOM 657 O VAL A 71 53.569 -54.642 65.028 1.00 65.32 O ATOM 658 CB VAL A 71 52.437 -52.012 65.490 1.00 58.50 C ATOM 659 CG1 VAL A 71 53.803 -51.428 65.805 1.00 52.95 C ATOM 660 CG2 VAL A 71 51.372 -50.927 65.508 1.00 50.42 C ATOM 661 H VAL A 71 50.592 -53.732 64.529 1.00 0.00 H ATOM 662 N GLN A 72 54.387 -53.783 63.114 1.00 54.54 N ATOM 663 CA GLN A 72 55.385 -54.828 62.926 1.00 63.01 C ATOM 664 C GLN A 72 56.794 -54.255 62.853 1.00 69.28 C ATOM 665 O GLN A 72 56.982 -53.070 62.571 1.00 66.11 O ATOM 666 CB GLN A 72 55.087 -55.620 61.650 1.00 78.86 C ATOM 667 CG GLN A 72 53.895 -56.560 61.750 1.00 97.33 C ATOM 668 CD GLN A 72 54.301 -57.976 62.109 1.00111.09 C ATOM 669 OE1 GLN A 72 55.297 -58.496 61.604 1.00108.46 O ATOM 670 NE2 GLN A 72 53.532 -58.608 62.989 1.00120.90 N ATOM 671 HE22 GLN A 72 52.700 -58.130 63.390 1.00 0.00 H ATOM 672 HE21 GLN A 72 53.762 -59.581 63.277 1.00 0.00 H ATOM 673 H GLN A 72 54.346 -52.997 62.434 1.00 0.00 H ATOM 674 N VAL A 73 57.781 -55.108 63.105 1.00 67.14 N ATOM 675 CA VAL A 73 59.180 -54.722 62.997 1.00 66.29 C ATOM 676 C VAL A 73 59.797 -55.335 61.747 1.00 68.09 C ATOM 677 O VAL A 73 59.690 -56.540 61.520 1.00 74.90 O ATOM 678 CB VAL A 73 59.986 -55.172 64.228 1.00 63.49 C ATOM 679 CG1 VAL A 73 61.453 -54.832 64.053 1.00 62.47 C ATOM 680 CG2 VAL A 73 59.435 -54.526 65.484 1.00 64.51 C ATOM 681 H VAL A 73 57.547 -56.081 63.388 1.00 0.00 H ATOM 682 N VAL A 74 60.435 -54.500 60.934 1.00 67.27 N ATOM 683 CA VAL A 74 61.069 -54.963 59.706 1.00 73.99 C ATOM 684 C VAL A 74 62.518 -54.492 59.642 1.00 76.20 C ATOM 685 O VAL A 74 62.850 -53.431 60.172 1.00 88.35 O ATOM 686 CB VAL A 74 60.306 -54.472 58.456 1.00 80.58 C ATOM 687 CG1 VAL A 74 58.901 -55.056 58.430 1.00 70.80 C ATOM 688 CG2 VAL A 74 60.258 -52.951 58.417 1.00 87.34 C ATOM 689 H VAL A 74 60.483 -53.491 61.180 1.00 0.00 H ATOM 690 N PRO A 75 63.392 -55.290 59.006 1.00 69.97 N ATOM 691 CA PRO A 75 64.805 -54.913 58.872 1.00 65.36 C ATOM 692 C PRO A 75 65.002 -53.642 58.049 1.00 64.34 C ATOM 693 O PRO A 75 64.262 -53.397 57.098 1.00 69.46 O ATOM 694 CB PRO A 75 65.427 -56.116 58.150 1.00 67.62 C ATOM 695 CG PRO A 75 64.276 -56.851 57.538 1.00 93.39 C ATOM 696 CD PRO A 75 63.126 -56.633 58.466 1.00 64.33 C ATOM 697 N LEU A 76 65.998 -52.845 58.424 1.00 81.92 N ATOM 698 CA LEU A 76 66.299 -51.594 57.733 1.00 82.42 C ATOM 699 C LEU A 76 66.812 -51.844 56.315 1.00 84.03 C ATOM 700 O LEU A 76 66.732 -50.972 55.450 1.00 82.30 O ATOM 701 CB LEU A 76 67.323 -50.783 58.536 1.00 86.40 C ATOM 702 CG LEU A 76 67.799 -49.442 57.969 1.00 66.37 C ATOM 703 CD1 LEU A 76 66.623 -48.510 57.727 1.00 63.75 C ATOM 704 CD2 LEU A 76 68.817 -48.795 58.890 1.00 68.03 C ATOM 705 H LEU A 76 66.583 -53.122 59.238 1.00 0.00 H ATOM 706 N SER A 77 67.331 -53.045 56.082 1.00 85.66 N ATOM 707 CA SER A 77 67.895 -53.402 54.785 1.00 82.41 C ATOM 708 C SER A 77 66.819 -53.636 53.721 1.00 81.45 C ATOM 709 O SER A 77 67.109 -53.641 52.525 1.00 76.27 O ATOM 710 CB SER A 77 68.782 -54.642 54.917 1.00 77.30 C ATOM 711 OG SER A 77 68.044 -55.748 55.410 1.00 81.27 O ATOM 712 HG SER A 77 68.641 -56.534 55.485 1.00 0.00 H ATOM 713 H SER A 77 67.335 -53.750 56.846 1.00 0.00 H ATOM 714 N ALA A 78 65.579 -53.826 54.163 1.00 79.13 N ATOM 715 CA ALA A 78 64.474 -54.100 53.250 1.00 64.03 C ATOM 716 C ALA A 78 63.986 -52.834 52.553 1.00 82.19 C ATOM 717 O ALA A 78 63.167 -52.894 51.635 1.00 86.55 O ATOM 718 CB ALA A 78 63.330 -54.771 53.993 1.00 62.48 C ATOM 719 H ALA A 78 65.392 -53.778 55.185 1.00 0.00 H ATOM 720 N PHE A 79 64.500 -51.690 52.993 1.00 72.42 N ATOM 721 CA PHE A 79 64.104 -50.398 52.442 1.00 69.68 C ATOM 722 C PHE A 79 64.973 -49.991 51.254 1.00 70.72 C ATOM 723 O PHE A 79 66.127 -50.414 51.156 1.00 69.24 O ATOM 724 CB PHE A 79 64.153 -49.327 53.536 1.00 59.88 C ATOM 725 CG PHE A 79 63.075 -49.475 54.570 1.00 70.02 C ATOM 726 CD1 PHE A 79 61.880 -48.786 54.447 1.00 65.12 C ATOM 727 CD2 PHE A 79 63.250 -50.312 55.659 1.00 70.74 C ATOM 728 CE1 PHE A 79 60.883 -48.922 55.394 1.00 64.68 C ATOM 729 CE2 PHE A 79 62.256 -50.453 56.609 1.00 68.40 C ATOM 730 CZ PHE A 79 61.071 -49.757 56.476 1.00 65.47 C ATOM 731 H PHE A 79 65.207 -51.716 53.755 1.00 0.00 H ATOM 732 N PRO A 80 64.408 -49.185 50.336 1.00 71.38 N ATOM 733 CA PRO A 80 65.143 -48.642 49.190 1.00 82.30 C ATOM 734 C PRO A 80 66.462 -48.010 49.619 1.00 88.68 C ATOM 735 O PRO A 80 66.512 -47.330 50.643 1.00 79.50 O ATOM 736 CB PRO A 80 64.194 -47.573 48.652 1.00 70.55 C ATOM 737 CG PRO A 80 62.847 -48.108 48.967 1.00 67.28 C ATOM 738 CD PRO A 80 62.983 -48.811 50.292 1.00 67.93 C ATOM 739 N GLU A 81 67.510 -48.248 48.837 1.00 98.74 N ATOM 740 CA GLU A 81 68.861 -47.830 49.188 1.00107.49 C ATOM 741 C GLU A 81 68.955 -46.345 49.525 1.00 95.99 C ATOM 742 O GLU A 81 69.580 -45.967 50.514 1.00 85.53 O ATOM 743 CB GLU A 81 69.830 -48.166 48.051 1.00127.93 C ATOM 744 CG GLU A 81 69.780 -49.617 47.588 1.00136.15 C ATOM 745 CD GLU A 81 70.388 -50.580 48.591 1.00139.42 C ATOM 746 OE1 GLU A 81 71.058 -50.116 49.539 1.00138.04 O ATOM 747 OE2 GLU A 81 70.199 -51.804 48.430 1.00141.00 O ATOM 748 H GLU A 81 67.360 -48.752 47.940 1.00 0.00 H ATOM 749 N ASP A 82 68.323 -45.508 48.709 1.00 96.04 N ATOM 750 CA ASP A 82 68.442 -44.064 48.874 1.00 92.46 C ATOM 751 C ASP A 82 67.144 -43.402 49.315 1.00 80.95 C ATOM 752 O ASP A 82 66.767 -42.350 48.800 1.00 76.92 O ATOM 753 CB ASP A 82 68.958 -43.424 47.586 1.00102.03 C ATOM 754 CG ASP A 82 70.367 -43.870 47.240 1.00113.90 C ATOM 755 OD1 ASP A 82 71.323 -43.343 47.848 1.00117.24 O ATOM 756 OD2 ASP A 82 70.517 -44.745 46.361 1.00111.91 O ATOM 757 H ASP A 82 67.734 -45.889 47.941 1.00 0.00 H ATOM 758 N ALA A 83 66.471 -44.019 50.281 1.00 78.28 N ATOM 759 CA ALA A 83 65.244 -43.460 50.832 1.00 79.97 C ATOM 760 C ALA A 83 65.421 -43.104 52.304 1.00 84.52 C ATOM 761 O ALA A 83 66.075 -43.831 53.050 1.00 62.09 O ATOM 762 CB ALA A 83 64.091 -44.436 50.656 1.00 80.12 C ATOM 763 H ALA A 83 66.829 -44.922 50.652 1.00 0.00 H ATOM 764 N GLU A 84 64.841 -41.980 52.714 1.00 89.12 N ATOM 765 CA GLU A 84 64.876 -41.557 54.111 1.00 87.73 C ATOM 766 C GLU A 84 63.952 -42.415 54.965 1.00 74.99 C ATOM 767 O GLU A 84 62.730 -42.293 54.882 1.00 91.71 O ATOM 768 CB GLU A 84 64.468 -40.087 54.239 1.00 95.86 C ATOM 769 CG GLU A 84 65.627 -39.117 54.397 1.00103.18 C ATOM 770 CD GLU A 84 65.169 -37.671 54.424 1.00106.08 C ATOM 771 OE1 GLU A 84 64.541 -37.261 55.424 1.00102.38 O ATOM 772 OE2 GLU A 84 65.432 -36.947 53.440 1.00108.35 O ATOM 773 H GLU A 84 64.348 -41.384 52.019 1.00 0.00 H ATOM 774 N VAL A 85 64.533 -43.283 55.786 1.00 60.68 N ATOM 775 CA VAL A 85 63.743 -44.134 56.669 1.00 63.71 C ATOM 776 C VAL A 85 63.659 -43.520 58.063 1.00 71.55 C ATOM 777 O VAL A 85 64.474 -43.813 58.937 1.00 73.28 O ATOM 778 CB VAL A 85 64.321 -45.557 56.755 1.00 63.25 C ATOM 779 CG1 VAL A 85 63.354 -46.479 57.485 1.00 62.57 C ATOM 780 CG2 VAL A 85 64.605 -46.090 55.361 1.00 62.09 C ATOM 781 H VAL A 85 65.570 -43.357 55.799 1.00 0.00 H ATOM 782 N VAL A 86 62.664 -42.659 58.255 1.00 74.40 N ATOM 783 CA VAL A 86 62.505 -41.899 59.490 1.00 73.80 C ATOM 784 C VAL A 86 61.035 -41.921 59.906 1.00 73.65 C ATOM 785 O VAL A 86 60.179 -42.280 59.100 1.00 69.97 O ATOM 786 CB VAL A 86 62.975 -40.440 59.291 1.00 73.86 C ATOM 787 CG1 VAL A 86 64.479 -40.390 59.072 1.00 60.03 C ATOM 788 CG2 VAL A 86 62.233 -39.795 58.127 1.00 62.86 C ATOM 789 H VAL A 86 61.970 -42.522 57.493 1.00 0.00 H ATOM 790 N PRO A 87 60.737 -41.561 61.170 1.00 70.96 N ATOM 791 CA PRO A 87 59.336 -41.510 61.608 1.00 70.26 C ATOM 792 C PRO A 87 58.457 -40.641 60.708 1.00 69.63 C ATOM 793 O PRO A 87 58.847 -39.532 60.341 1.00 67.38 O ATOM 794 CB PRO A 87 59.434 -40.884 63.000 1.00 64.82 C ATOM 795 CG PRO A 87 60.760 -41.311 63.496 1.00 56.75 C ATOM 796 CD PRO A 87 61.666 -41.342 62.294 1.00 62.66 C ATOM 797 N GLY A 88 57.285 -41.155 60.353 1.00 50.54 N ATOM 798 CA GLY A 88 56.352 -40.415 59.525 1.00 52.44 C ATOM 799 C GLY A 88 56.507 -40.691 58.041 1.00 54.25 C ATOM 800 O GLY A 88 55.608 -40.398 57.254 1.00 52.55 O ATOM 801 H GLY A 88 57.030 -42.110 60.676 1.00 0.00 H ATOM 802 N ALA A 89 57.652 -41.250 57.657 1.00 56.36 N ATOM 803 CA ALA A 89 57.905 -41.589 56.264 1.00 49.39 C ATOM 804 C ALA A 89 56.968 -42.701 55.819 1.00 67.48 C ATOM 805 O ALA A 89 56.708 -43.641 56.572 1.00 64.01 O ATOM 806 CB ALA A 89 59.351 -42.003 56.070 1.00 52.85 C ATOM 807 H ALA A 89 58.383 -41.449 58.369 1.00 0.00 H ATOM 808 N GLN A 90 56.460 -42.590 54.594 1.00 63.30 N ATOM 809 CA GLN A 90 55.507 -43.565 54.077 1.00 71.03 C ATOM 810 C GLN A 90 56.103 -44.423 52.964 1.00 46.08 C ATOM 811 O GLN A 90 56.755 -43.915 52.054 1.00 81.41 O ATOM 812 CB GLN A 90 54.241 -42.860 53.586 1.00 84.95 C ATOM 813 CG GLN A 90 53.553 -42.014 54.647 1.00 88.99 C ATOM 814 CD GLN A 90 52.229 -41.450 54.173 1.00 90.86 C ATOM 815 OE1 GLN A 90 51.537 -42.061 53.357 1.00 95.16 O ATOM 816 NE2 GLN A 90 51.872 -40.274 54.678 1.00 87.59 N ATOM 817 HE22 GLN A 90 52.488 -39.794 55.365 1.00 0.00 H ATOM 818 HE21 GLN A 90 50.976 -39.833 54.387 1.00 0.00 H ATOM 819 H GLN A 90 56.749 -41.792 53.993 1.00 0.00 H ATOM 820 N PHE A 91 55.878 -45.730 53.051 1.00 61.46 N ATOM 821 CA PHE A 91 56.327 -46.660 52.020 1.00 55.42 C ATOM 822 C PHE A 91 55.235 -47.680 51.729 1.00 53.63 C ATOM 823 O PHE A 91 54.124 -47.584 52.253 1.00 56.07 O ATOM 824 CB PHE A 91 57.602 -47.392 52.454 1.00 59.21 C ATOM 825 CG PHE A 91 58.776 -46.487 52.708 1.00 56.09 C ATOM 826 CD1 PHE A 91 58.950 -45.889 53.945 1.00 50.22 C ATOM 827 CD2 PHE A 91 59.715 -46.251 51.717 1.00 61.22 C ATOM 828 CE1 PHE A 91 60.029 -45.060 54.186 1.00 60.37 C ATOM 829 CE2 PHE A 91 60.800 -45.423 51.953 1.00 70.52 C ATOM 830 CZ PHE A 91 60.956 -44.828 53.190 1.00 66.23 C ATOM 831 H PHE A 91 55.367 -46.101 53.878 1.00 0.00 H ATOM 832 N TYR A 92 55.559 -48.661 50.893 1.00 52.21 N ATOM 833 CA TYR A 92 54.635 -49.746 50.585 1.00 56.14 C ATOM 834 C TYR A 92 55.300 -51.098 50.801 1.00 63.16 C ATOM 835 O TYR A 92 56.506 -51.248 50.601 1.00 58.29 O ATOM 836 CB TYR A 92 54.146 -49.651 49.140 1.00 57.03 C ATOM 837 CG TYR A 92 53.165 -48.533 48.879 1.00 65.48 C ATOM 838 CD1 TYR A 92 51.795 -48.739 49.013 1.00 60.37 C ATOM 839 CD2 TYR A 92 53.604 -47.274 48.485 1.00 60.30 C ATOM 840 CE1 TYR A 92 50.890 -47.720 48.770 1.00 58.35 C ATOM 841 CE2 TYR A 92 52.706 -46.247 48.238 1.00 65.68 C ATOM 842 CZ TYR A 92 51.350 -46.476 48.382 1.00 68.82 C ATOM 843 OH TYR A 92 50.452 -45.460 48.140 1.00 69.46 O ATOM 844 HH TYR A 92 49.531 -45.792 48.289 1.00 0.00 H ATOM 845 H TYR A 92 56.498 -48.655 50.446 1.00 0.00 H ATOM 846 N ALA A 93 54.505 -52.082 51.206 1.00 61.35 N ATOM 847 CA ALA A 93 54.991 -53.446 51.357 1.00 66.96 C ATOM 848 C ALA A 93 54.234 -54.367 50.407 1.00 71.19 C ATOM 849 O ALA A 93 53.055 -54.147 50.130 1.00 71.55 O ATOM 850 CB ALA A 93 54.832 -53.909 52.793 1.00 48.49 C ATOM 851 H ALA A 93 53.509 -51.873 51.421 1.00 0.00 H ATOM 852 N GLN A 94 54.910 -55.394 49.905 1.00 70.44 N ATOM 853 CA GLN A 94 54.283 -56.306 48.956 1.00 81.30 C ATOM 854 C GLN A 94 54.867 -57.710 49.063 1.00 81.15 C ATOM 855 O GLN A 94 56.050 -57.879 49.351 1.00 77.71 O ATOM 856 CB GLN A 94 54.426 -55.769 47.529 1.00 85.44 C ATOM 857 CG GLN A 94 53.491 -56.414 46.519 1.00 85.78 C ATOM 858 CD GLN A 94 53.574 -55.763 45.151 1.00 84.28 C ATOM 859 OE1 GLN A 94 53.683 -54.542 45.035 1.00 89.78 O ATOM 860 NE2 GLN A 94 53.528 -56.579 44.105 1.00 78.77 N ATOM 861 HE22 GLN A 94 53.435 -57.605 44.249 1.00 0.00 H ATOM 862 HE21 GLN A 94 53.585 -56.193 43.141 1.00 0.00 H ATOM 863 H GLN A 94 55.897 -55.549 50.192 1.00 0.00 H ATOM 864 N ASP A 95 54.026 -58.713 48.830 1.00 94.27 N ATOM 865 CA ASP A 95 54.440 -60.107 48.927 1.00101.85 C ATOM 866 C ASP A 95 53.817 -60.948 47.815 1.00111.92 C ATOM 867 O ASP A 95 53.394 -60.418 46.786 1.00110.22 O ATOM 868 CB ASP A 95 54.058 -60.676 50.296 1.00 97.77 C ATOM 869 CG ASP A 95 52.574 -60.542 50.594 1.00103.64 C ATOM 870 OD1 ASP A 95 52.062 -61.331 51.415 1.00 99.04 O ATOM 871 OD2 ASP A 95 51.923 -59.654 50.007 1.00111.55 O ATOM 872 H ASP A 95 53.042 -58.496 48.571 1.00 0.00 H ATOM 873 N MET A 96 53.761 -62.260 48.028 1.00117.09 N ATOM 874 CA MET A 96 53.195 -63.178 47.044 1.00115.82 C ATOM 875 C MET A 96 51.715 -62.905 46.794 1.00109.64 C ATOM 876 O MET A 96 51.183 -63.258 45.741 1.00108.11 O ATOM 877 CB MET A 96 53.387 -64.628 47.490 1.00125.36 C ATOM 878 CG MET A 96 54.839 -65.047 47.649 1.00132.30 C ATOM 879 SD MET A 96 55.731 -65.109 46.085 1.00199.38 S ATOM 880 CE MET A 96 54.814 -66.387 45.226 1.00 90.05 C ATOM 881 H MET A 96 54.131 -62.643 48.921 1.00 0.00 H ATOM 882 N GLU A 97 51.057 -62.282 47.769 1.00110.16 N ATOM 883 CA GLU A 97 49.653 -61.904 47.637 1.00111.46 C ATOM 884 C GLU A 97 49.433 -60.980 46.446 1.00110.02 C ATOM 885 O GLU A 97 48.364 -60.982 45.836 1.00108.58 O ATOM 886 CB GLU A 97 49.153 -61.224 48.913 1.00115.59 C ATOM 887 CG GLU A 97 48.571 -62.170 49.950 1.00119.09 C ATOM 888 CD GLU A 97 47.940 -61.428 51.115 1.00115.44 C ATOM 889 OE1 GLU A 97 48.445 -60.342 51.472 1.00120.11 O ATOM 890 OE2 GLU A 97 46.935 -61.925 51.666 1.00100.06 O ATOM 891 H GLU A 97 51.558 -62.058 48.652 1.00 0.00 H ATOM 892 N GLY A 98 50.449 -60.187 46.122 1.00112.35 N ATOM 893 CA GLY A 98 50.376 -59.278 44.994 1.00111.23 C ATOM 894 C GLY A 98 49.603 -58.014 45.313 1.00103.79 C ATOM 895 O GLY A 98 49.229 -57.261 44.414 1.00104.71 O ATOM 896 H GLY A 98 51.319 -60.219 46.692 1.00 0.00 H ATOM 897 N ASN A 99 49.363 -57.780 46.600 1.00 95.28 N ATOM 898 CA ASN A 99 48.641 -56.592 47.039 1.00 90.15 C ATOM 899 C ASN A 99 49.523 -55.618 47.810 1.00 92.04 C ATOM 900 O ASN A 99 49.884 -55.878 48.958 1.00100.35 O ATOM 901 CB ASN A 99 47.428 -56.977 47.888 1.00 87.72 C ATOM 902 CG ASN A 99 46.293 -57.548 47.060 1.00 94.08 C ATOM 903 OD1 ASN A 99 45.892 -58.697 47.246 1.00100.73 O ATOM 904 ND2 ASN A 99 45.765 -56.744 46.142 1.00 86.84 N ATOM 905 HD22 ASN A 99 46.136 -55.780 46.020 1.00 0.00 H ATOM 906 HD21 ASN A 99 44.981 -57.079 45.546 1.00 0.00 H ATOM 907 H ASN A 99 49.699 -58.461 47.311 1.00 0.00 H ATOM 908 N PRO A 100 49.881 -54.494 47.173 1.00 83.78 N ATOM 909 CA PRO A 100 50.645 -53.429 47.827 1.00 76.46 C ATOM 910 C PRO A 100 49.844 -52.790 48.953 1.00 75.48 C ATOM 911 O PRO A 100 48.771 -52.239 48.708 1.00 82.87 O ATOM 912 CB PRO A 100 50.862 -52.413 46.701 1.00 71.24 C ATOM 913 CG PRO A 100 50.727 -53.199 45.444 1.00 74.36 C ATOM 914 CD PRO A 100 49.683 -54.229 45.738 1.00 80.05 C ATOM 915 N MET A 101 50.360 -52.873 50.174 1.00 71.64 N ATOM 916 CA MET A 101 49.721 -52.246 51.325 1.00 62.68 C ATOM 917 C MET A 101 50.653 -51.212 51.943 1.00 63.51 C ATOM 918 O MET A 101 51.837 -51.479 52.144 1.00 74.97 O ATOM 919 CB MET A 101 49.319 -53.302 52.355 1.00 61.94 C ATOM 920 CG MET A 101 50.299 -54.456 52.464 1.00 68.35 C ATOM 921 SD MET A 101 49.640 -55.840 53.412 1.00152.52 S ATOM 922 CE MET A 101 50.715 -57.161 52.856 1.00 68.89 C ATOM 923 H MET A 101 51.245 -53.400 50.313 1.00 0.00 H ATOM 924 N PRO A 102 50.115 -50.023 52.250 1.00 55.07 N ATOM 925 CA PRO A 102 50.925 -48.893 52.716 1.00 58.02 C ATOM 926 C PRO A 102 51.260 -48.954 54.204 1.00 55.50 C ATOM 927 O PRO A 102 50.556 -49.600 54.984 1.00 57.99 O ATOM 928 CB PRO A 102 50.039 -47.680 52.413 1.00 52.63 C ATOM 929 CG PRO A 102 48.635 -48.221 52.279 1.00 37.97 C ATOM 930 CD PRO A 102 48.676 -49.722 52.292 1.00 50.90 C ATOM 931 N LEU A 103 52.336 -48.273 54.583 1.00 47.16 N ATOM 932 CA LEU A 103 52.806 -48.270 55.962 1.00 51.45 C ATOM 933 C LEU A 103 53.433 -46.930 56.325 1.00 54.86 C ATOM 934 O LEU A 103 53.924 -46.204 55.459 1.00 54.10 O ATOM 935 CB LEU A 103 53.828 -49.392 56.179 1.00 44.97 C ATOM 936 CG LEU A 103 55.165 -49.267 55.436 1.00 48.89 C ATOM 937 CD1 LEU A 103 56.240 -48.618 56.301 1.00 55.38 C ATOM 938 CD2 LEU A 103 55.636 -50.617 54.926 1.00 49.52 C ATOM 939 H LEU A 103 52.860 -47.724 53.872 1.00 0.00 H ATOM 940 N THR A 104 53.424 -46.617 57.616 1.00 52.09 N ATOM 941 CA THR A 104 54.101 -45.433 58.124 1.00 51.20 C ATOM 942 C THR A 104 55.186 -45.870 59.097 1.00 54.20 C ATOM 943 O THR A 104 54.933 -46.667 60.001 1.00 55.04 O ATOM 944 CB THR A 104 53.128 -44.495 58.857 1.00 51.64 C ATOM 945 OG1 THR A 104 51.940 -44.323 58.075 1.00 58.17 O ATOM 946 CG2 THR A 104 53.775 -43.141 59.101 1.00 45.52 C ATOM 947 HG1 THR A 104 51.317 -43.718 58.551 1.00 0.00 H ATOM 948 H THR A 104 52.919 -47.235 58.282 1.00 0.00 H ATOM 949 N VAL A 105 56.397 -45.362 58.905 1.00 55.18 N ATOM 950 CA VAL A 105 57.489 -45.667 59.816 1.00 58.60 C ATOM 951 C VAL A 105 57.243 -44.988 61.156 1.00 50.40 C ATOM 952 O VAL A 105 57.051 -43.774 61.219 1.00 52.91 O ATOM 953 CB VAL A 105 58.846 -45.210 59.247 1.00 57.71 C ATOM 954 CG1 VAL A 105 59.953 -45.409 60.276 1.00 53.26 C ATOM 955 CG2 VAL A 105 59.156 -45.956 57.956 1.00 51.27 C ATOM 956 H VAL A 105 56.568 -44.737 58.092 1.00 0.00 H ATOM 957 N VAL A 106 57.237 -45.775 62.224 1.00 61.75 N ATOM 958 CA VAL A 106 57.024 -45.234 63.557 1.00 69.37 C ATOM 959 C VAL A 106 58.350 -44.865 64.212 1.00 73.11 C ATOM 960 O VAL A 106 58.595 -43.701 64.536 1.00 69.30 O ATOM 961 CB VAL A 106 56.285 -46.242 64.458 1.00 65.78 C ATOM 962 CG1 VAL A 106 56.064 -45.649 65.842 1.00 63.16 C ATOM 963 CG2 VAL A 106 54.964 -46.644 63.820 1.00 66.66 C ATOM 964 H VAL A 106 57.387 -46.797 62.106 1.00 0.00 H ATOM 965 N ALA A 107 59.206 -45.864 64.394 1.00 75.15 N ATOM 966 CA ALA A 107 60.485 -45.662 65.060 1.00 77.59 C ATOM 967 C ALA A 107 61.594 -46.458 64.388 1.00 72.28 C ATOM 968 O ALA A 107 61.354 -47.522 63.819 1.00 66.94 O ATOM 969 CB ALA A 107 60.378 -46.041 66.529 1.00 79.88 C ATOM 970 H ALA A 107 58.957 -46.814 64.052 1.00 0.00 H ATOM 971 N VAL A 108 62.810 -45.929 64.458 1.00 68.49 N ATOM 972 CA VAL A 108 63.978 -46.615 63.930 1.00 69.33 C ATOM 973 C VAL A 108 64.960 -46.874 65.064 1.00 79.70 C ATOM 974 O VAL A 108 65.475 -45.939 65.679 1.00 78.49 O ATOM 975 CB VAL A 108 64.671 -45.787 62.836 1.00 66.86 C ATOM 976 CG1 VAL A 108 65.825 -46.571 62.227 1.00 69.06 C ATOM 977 CG2 VAL A 108 63.671 -45.390 61.767 1.00 59.23 C ATOM 978 H VAL A 108 62.930 -44.997 64.903 1.00 0.00 H ATOM 979 N GLU A 109 65.201 -48.149 65.349 1.00 82.30 N ATOM 980 CA GLU A 109 66.110 -48.538 66.417 1.00 79.79 C ATOM 981 C GLU A 109 67.150 -49.519 65.891 1.00 78.78 C ATOM 982 O GLU A 109 66.881 -50.713 65.763 1.00 73.72 O ATOM 983 CB GLU A 109 65.330 -49.153 67.581 1.00 72.65 C ATOM 984 CG GLU A 109 64.307 -48.210 68.199 1.00 75.09 C ATOM 985 CD GLU A 109 63.416 -48.895 69.215 1.00 91.95 C ATOM 986 OE1 GLU A 109 63.568 -50.118 69.412 1.00 94.09 O ATOM 987 OE2 GLU A 109 62.560 -48.211 69.815 1.00102.57 O ATOM 988 H GLU A 109 64.727 -48.890 64.794 1.00 0.00 H ATOM 989 N GLY A 110 68.336 -49.004 65.581 1.00 81.05 N ATOM 990 CA GLY A 110 69.401 -49.819 65.029 1.00 82.75 C ATOM 991 C GLY A 110 69.038 -50.372 63.665 1.00 85.38 C ATOM 992 O GLY A 110 68.775 -49.618 62.729 1.00 69.33 O ATOM 993 H GLY A 110 68.504 -47.990 65.739 1.00 0.00 H ATOM 994 N GLU A 111 69.022 -51.697 63.556 1.00 89.23 N ATOM 995 CA GLU A 111 68.635 -52.362 62.319 1.00 79.35 C ATOM 996 C GLU A 111 67.164 -52.752 62.354 1.00 76.72 C ATOM 997 O GLU A 111 66.670 -53.431 61.453 1.00 86.71 O ATOM 998 CB GLU A 111 69.501 -53.601 62.081 1.00 73.30 C ATOM 999 CG GLU A 111 70.948 -53.293 61.732 1.00 96.30 C ATOM 1000 CD GLU A 111 71.102 -52.670 60.356 1.00102.26 C ATOM 1001 OE1 GLU A 111 70.175 -52.806 59.526 1.00103.21 O ATOM 1002 OE2 GLU A 111 72.153 -52.043 60.103 1.00100.12 O ATOM 1003 H GLU A 111 69.293 -52.275 64.377 1.00 0.00 H ATOM 1004 N GLU A 112 66.466 -52.318 63.398 1.00 79.41 N ATOM 1005 CA GLU A 112 65.053 -52.641 63.559 1.00 89.47 C ATOM 1006 C GLU A 112 64.163 -51.427 63.316 1.00 81.98 C ATOM 1007 O GLU A 112 64.259 -50.423 64.020 1.00 85.61 O ATOM 1008 CB GLU A 112 64.792 -53.211 64.953 1.00102.61 C ATOM 1009 CG GLU A 112 65.525 -54.510 65.237 1.00123.86 C ATOM 1010 CD GLU A 112 65.238 -55.043 66.625 1.00139.68 C ATOM 1011 OE1 GLU A 112 64.416 -54.429 67.337 1.00140.39 O ATOM 1012 OE2 GLU A 112 65.832 -56.074 67.005 1.00149.73 O ATOM 1013 H GLU A 112 66.938 -51.734 64.117 1.00 0.00 H ATOM 1014 N VAL A 113 63.295 -51.530 62.314 1.00 71.34 N ATOM 1015 CA VAL A 113 62.376 -50.449 61.980 1.00 64.81 C ATOM 1016 C VAL A 113 60.943 -50.820 62.340 1.00 65.18 C ATOM 1017 O VAL A 113 60.411 -51.819 61.857 1.00 68.20 O ATOM 1018 CB VAL A 113 62.445 -50.082 60.483 1.00 58.32 C ATOM 1019 CG1 VAL A 113 61.416 -49.016 60.149 1.00 56.15 C ATOM 1020 CG2 VAL A 113 63.845 -49.610 60.116 1.00 60.08 C ATOM 1021 H VAL A 113 63.271 -52.406 61.753 1.00 0.00 H ATOM 1022 N THR A 114 60.328 -50.011 63.196 1.00 65.44 N ATOM 1023 CA THR A 114 58.949 -50.232 63.611 1.00 62.83 C ATOM 1024 C THR A 114 57.998 -49.480 62.691 1.00 67.25 C ATOM 1025 O THR A 114 58.051 -48.253 62.594 1.00 71.31 O ATOM 1026 CB THR A 114 58.718 -49.767 65.057 1.00 64.96 C ATOM 1027 OG1 THR A 114 59.718 -50.338 65.909 1.00 68.08 O ATOM 1028 CG2 THR A 114 57.338 -50.188 65.540 1.00 55.38 C ATOM 1029 HG1 THR A 114 59.567 -50.037 66.840 1.00 0.00 H ATOM 1030 H THR A 114 60.846 -49.196 63.581 1.00 0.00 H ATOM 1031 N VAL A 115 57.127 -50.222 62.018 1.00 52.22 N ATOM 1032 CA VAL A 115 56.209 -49.634 61.056 1.00 50.24 C ATOM 1033 C VAL A 115 54.762 -49.865 61.477 1.00 51.54 C ATOM 1034 O VAL A 115 54.474 -50.766 62.264 1.00 58.42 O ATOM 1035 CB VAL A 115 56.436 -50.220 59.653 1.00 73.77 C ATOM 1036 CG1 VAL A 115 57.866 -49.972 59.209 1.00 51.36 C ATOM 1037 CG2 VAL A 115 56.135 -51.707 59.650 1.00 50.45 C ATOM 1038 H VAL A 115 57.101 -51.249 62.183 1.00 0.00 H ATOM 1039 N ASP A 116 53.855 -49.045 60.953 1.00 53.29 N ATOM 1040 CA ASP A 116 52.437 -49.156 61.285 1.00 56.48 C ATOM 1041 C ASP A 116 51.583 -49.273 60.024 1.00 53.09 C ATOM 1042 O ASP A 116 51.550 -48.362 59.196 1.00 47.09 O ATOM 1043 CB ASP A 116 51.985 -47.950 62.114 1.00 48.74 C ATOM 1044 CG ASP A 116 50.669 -48.193 62.838 1.00 54.35 C ATOM 1045 OD1 ASP A 116 49.979 -49.190 62.531 1.00 45.50 O ATOM 1046 OD2 ASP A 116 50.325 -47.376 63.717 1.00 48.84 O ATOM 1047 H ASP A 116 54.164 -48.306 60.290 1.00 0.00 H ATOM 1048 N PHE A 117 50.888 -50.397 59.890 1.00 49.45 N ATOM 1049 CA PHE A 117 50.034 -50.636 58.733 1.00 50.26 C ATOM 1050 C PHE A 117 48.635 -50.047 58.899 1.00 45.55 C ATOM 1051 O PHE A 117 47.883 -49.944 57.932 1.00 40.47 O ATOM 1052 CB PHE A 117 49.946 -52.132 58.429 1.00 49.69 C ATOM 1053 CG PHE A 117 51.167 -52.683 57.757 1.00 47.09 C ATOM 1054 CD1 PHE A 117 52.166 -53.294 58.495 1.00 53.18 C ATOM 1055 CD2 PHE A 117 51.320 -52.581 56.385 1.00 50.34 C ATOM 1056 CE1 PHE A 117 53.291 -53.800 57.876 1.00 54.50 C ATOM 1057 CE2 PHE A 117 52.442 -53.082 55.761 1.00 49.79 C ATOM 1058 CZ PHE A 117 53.430 -53.693 56.507 1.00 57.78 C ATOM 1059 H PHE A 117 50.955 -51.125 60.629 1.00 0.00 H ATOM 1060 N ASN A 118 48.292 -49.665 60.125 1.00 43.57 N ATOM 1061 CA ASN A 118 47.013 -49.022 60.387 1.00 48.80 C ATOM 1062 C ASN A 118 46.899 -47.706 59.635 1.00 54.75 C ATOM 1063 O ASN A 118 47.905 -47.118 59.239 1.00 60.31 O ATOM 1064 CB ASN A 118 46.819 -48.773 61.886 1.00 59.08 C ATOM 1065 CG ASN A 118 46.593 -50.052 62.668 1.00 66.86 C ATOM 1066 OD1 ASN A 118 45.536 -50.674 62.567 1.00 61.09 O ATOM 1067 ND2 ASN A 118 47.584 -50.445 63.463 1.00 73.77 N ATOM 1068 HD22 ASN A 118 48.460 -49.887 63.516 1.00 0.00 H ATOM 1069 HD21 ASN A 118 47.483 -51.310 64.031 1.00 0.00 H ATOM 1070 H ASN A 118 48.951 -49.829 60.913 1.00 0.00 H ATOM 1071 N HIS A 119 45.668 -47.255 59.426 1.00 52.20 N ATOM 1072 CA HIS A 119 45.443 -45.934 58.867 1.00 49.25 C ATOM 1073 C HIS A 119 45.953 -44.918 59.879 1.00 50.99 C ATOM 1074 O HIS A 119 45.824 -45.127 61.084 1.00 55.47 O ATOM 1075 CB HIS A 119 43.955 -45.720 58.591 1.00 49.94 C ATOM 1076 CG HIS A 119 43.657 -44.488 57.795 1.00 54.98 C ATOM 1077 ND1 HIS A 119 43.520 -43.244 58.371 1.00 59.55 N ATOM 1078 CD2 HIS A 119 43.470 -44.309 56.466 1.00 53.16 C ATOM 1079 CE1 HIS A 119 43.262 -42.351 57.432 1.00 57.36 C ATOM 1080 NE2 HIS A 119 43.227 -42.972 56.266 1.00 48.30 N ATOM 1081 H HIS A 119 44.854 -47.856 59.666 1.00 0.00 H ATOM 1082 N PRO A 120 46.561 -43.826 59.395 1.00 52.35 N ATOM 1083 CA PRO A 120 47.071 -42.760 60.263 1.00 48.46 C ATOM 1084 C PRO A 120 46.037 -42.266 61.271 1.00 46.65 C ATOM 1085 O PRO A 120 46.409 -41.830 62.362 1.00 53.45 O ATOM 1086 CB PRO A 120 47.412 -41.649 59.271 1.00 40.85 C ATOM 1087 CG PRO A 120 47.792 -42.379 58.033 1.00 52.69 C ATOM 1088 CD PRO A 120 46.902 -43.593 57.981 1.00 55.37 C ATOM 1089 N LEU A 121 44.758 -42.345 60.914 1.00 42.16 N ATOM 1090 CA LEU A 121 43.693 -41.873 61.793 1.00 48.00 C ATOM 1091 C LEU A 121 42.904 -43.018 62.427 1.00 52.68 C ATOM 1092 O LEU A 121 41.863 -42.794 63.047 1.00 54.61 O ATOM 1093 CB LEU A 121 42.751 -40.934 61.037 1.00 45.19 C ATOM 1094 CG LEU A 121 43.394 -39.669 60.464 1.00 52.85 C ATOM 1095 CD1 LEU A 121 42.340 -38.730 59.906 1.00 58.32 C ATOM 1096 CD2 LEU A 121 44.237 -38.964 61.514 1.00 60.07 C ATOM 1097 H LEU A 121 44.512 -42.752 59.989 1.00 0.00 H ATOM 1098 N ALA A 122 43.404 -44.241 62.276 1.00 48.86 N ATOM 1099 CA ALA A 122 42.745 -45.402 62.859 1.00 47.66 C ATOM 1100 C ALA A 122 42.724 -45.317 64.382 1.00 60.12 C ATOM 1101 O ALA A 122 43.769 -45.355 65.030 1.00 68.84 O ATOM 1102 CB ALA A 122 43.424 -46.684 62.406 1.00 51.35 C ATOM 1103 H ALA A 122 44.281 -44.371 61.732 1.00 0.00 H ATOM 1104 N GLY A 123 41.527 -45.192 64.945 1.00 63.34 N ATOM 1105 CA GLY A 123 41.369 -45.113 66.385 1.00 70.89 C ATOM 1106 C GLY A 123 40.961 -43.734 66.866 1.00 72.48 C ATOM 1107 O GLY A 123 40.536 -43.567 68.010 1.00 75.07 O ATOM 1108 H GLY A 123 40.683 -45.150 64.339 1.00 0.00 H ATOM 1109 N LYS A 124 41.088 -42.740 65.992 1.00 61.80 N ATOM 1110 CA LYS A 124 40.747 -41.367 66.352 1.00 62.34 C ATOM 1111 C LYS A 124 39.290 -41.035 66.059 1.00 59.89 C ATOM 1112 O LYS A 124 38.659 -41.656 65.207 1.00 59.72 O ATOM 1113 CB LYS A 124 41.654 -40.371 65.625 1.00 52.31 C ATOM 1114 CG LYS A 124 43.094 -40.368 66.104 1.00 64.76 C ATOM 1115 CD LYS A 124 43.915 -39.322 65.366 1.00 79.33 C ATOM 1116 CE LYS A 124 45.335 -39.253 65.909 1.00 88.23 C ATOM 1117 NZ LYS A 124 46.160 -38.232 65.203 1.00 90.00 N ATOM 1118 HZ1 LYS A 124 46.212 -38.469 64.192 1.00 0.00 H ATOM 1119 HZ2 LYS A 124 45.724 -37.295 65.319 1.00 0.00 H ATOM 1120 HZ3 LYS A 124 47.118 -38.222 65.608 1.00 0.00 H ATOM 1121 H LYS A 124 41.437 -42.945 65.034 1.00 0.00 H ATOM 1122 N ASP A 125 38.760 -40.054 66.781 1.00 62.87 N ATOM 1123 CA ASP A 125 37.449 -39.503 66.472 1.00 60.73 C ATOM 1124 C ASP A 125 37.638 -38.207 65.697 1.00 68.23 C ATOM 1125 O ASP A 125 38.360 -37.312 66.136 1.00 76.56 O ATOM 1126 CB ASP A 125 36.644 -39.246 67.747 1.00 61.41 C ATOM 1127 CG ASP A 125 36.246 -40.526 68.455 1.00 71.17 C ATOM 1128 OD1 ASP A 125 36.239 -41.593 67.806 1.00 66.01 O ATOM 1129 OD2 ASP A 125 35.933 -40.465 69.664 1.00 76.94 O ATOM 1130 H ASP A 125 39.295 -39.671 67.586 1.00 0.00 H ATOM 1131 N LEU A 126 36.994 -38.109 64.541 1.00 64.69 N ATOM 1132 CA LEU A 126 37.176 -36.952 63.675 1.00 58.42 C ATOM 1133 C LEU A 126 36.040 -35.943 63.806 1.00 59.72 C ATOM 1134 O LEU A 126 34.866 -36.312 63.856 1.00 61.59 O ATOM 1135 CB LEU A 126 37.307 -37.395 62.216 1.00 51.56 C ATOM 1136 CG LEU A 126 38.324 -38.495 61.917 1.00 52.12 C ATOM 1137 CD1 LEU A 126 38.422 -38.738 60.416 1.00 40.42 C ATOM 1138 CD2 LEU A 126 39.682 -38.142 62.501 1.00 53.45 C ATOM 1139 H LEU A 126 36.349 -38.871 64.249 1.00 0.00 H ATOM 1140 N ASP A 127 36.401 -34.666 63.860 1.00 60.03 N ATOM 1141 CA ASP A 127 35.421 -33.588 63.852 1.00 71.89 C ATOM 1142 C ASP A 127 35.506 -32.834 62.531 1.00 71.73 C ATOM 1143 O ASP A 127 36.598 -32.513 62.060 1.00 73.22 O ATOM 1144 CB ASP A 127 35.648 -32.639 65.030 1.00 71.82 C ATOM 1145 CG ASP A 127 35.290 -33.270 66.361 1.00 72.66 C ATOM 1146 OD1 ASP A 127 34.222 -33.914 66.442 1.00 66.39 O ATOM 1147 OD2 ASP A 127 36.078 -33.130 67.322 1.00 79.17 O ATOM 1148 H ASP A 127 37.412 -34.429 63.909 1.00 0.00 H ATOM 1149 N PHE A 128 34.353 -32.556 61.933 1.00 59.04 N ATOM 1150 CA PHE A 128 34.322 -31.967 60.601 1.00 58.96 C ATOM 1151 C PHE A 128 33.548 -30.659 60.518 1.00 72.40 C ATOM 1152 O PHE A 128 32.458 -30.527 61.073 1.00 51.24 O ATOM 1153 CB PHE A 128 33.743 -32.960 59.590 1.00 55.43 C ATOM 1154 CG PHE A 128 34.697 -34.044 59.189 1.00 58.49 C ATOM 1155 CD1 PHE A 128 35.656 -33.812 58.216 1.00 57.61 C ATOM 1156 CD2 PHE A 128 34.633 -35.296 59.776 1.00 61.37 C ATOM 1157 CE1 PHE A 128 36.538 -34.807 57.841 1.00 46.91 C ATOM 1158 CE2 PHE A 128 35.511 -36.296 59.404 1.00 64.66 C ATOM 1159 CZ PHE A 128 36.466 -36.051 58.435 1.00 54.70 C ATOM 1160 H PHE A 128 33.459 -32.762 62.423 1.00 0.00 H ATOM 1161 N GLN A 129 34.130 -29.697 59.812 1.00 81.84 N ATOM 1162 CA GLN A 129 33.420 -28.493 59.410 1.00 84.96 C ATOM 1163 C GLN A 129 33.160 -28.609 57.913 1.00 78.18 C ATOM 1164 O GLN A 129 34.083 -28.500 57.105 1.00 74.20 O ATOM 1165 CB GLN A 129 34.253 -27.250 59.716 1.00 97.69 C ATOM 1166 CG GLN A 129 33.568 -25.945 59.355 1.00113.61 C ATOM 1167 CD GLN A 129 32.289 -25.726 60.136 1.00128.70 C ATOM 1168 OE1 GLN A 129 32.298 -25.698 61.368 1.00139.50 O ATOM 1169 NE2 GLN A 129 31.178 -25.575 59.423 1.00124.46 N ATOM 1170 HE22 GLN A 129 31.219 -25.606 58.384 1.00 0.00 H ATOM 1171 HE21 GLN A 129 30.268 -25.426 59.904 1.00 0.00 H ATOM 1172 H GLN A 129 35.127 -29.808 59.537 1.00 0.00 H ATOM 1173 N VAL A 130 31.905 -28.842 57.545 1.00 73.95 N ATOM 1174 CA VAL A 130 31.577 -29.193 56.166 1.00 69.05 C ATOM 1175 C VAL A 130 30.696 -28.164 55.466 1.00 71.19 C ATOM 1176 O VAL A 130 29.732 -27.659 56.042 1.00 80.82 O ATOM 1177 CB VAL A 130 30.870 -30.560 56.100 1.00 59.26 C ATOM 1178 CG1 VAL A 130 30.807 -31.057 54.667 1.00 45.90 C ATOM 1179 CG2 VAL A 130 31.587 -31.569 56.980 1.00 63.53 C ATOM 1180 H VAL A 130 31.144 -28.773 58.250 1.00 0.00 H ATOM 1181 N GLU A 131 31.033 -27.861 54.216 1.00 67.70 N ATOM 1182 CA GLU A 131 30.185 -27.028 53.371 1.00 76.26 C ATOM 1183 C GLU A 131 29.885 -27.740 52.055 1.00 70.95 C ATOM 1184 O GLU A 131 30.797 -28.055 51.289 1.00 59.88 O ATOM 1185 CB GLU A 131 30.848 -25.678 53.088 1.00 86.50 C ATOM 1186 CG GLU A 131 29.985 -24.741 52.249 1.00 93.83 C ATOM 1187 CD GLU A 131 30.759 -23.557 51.696 1.00102.73 C ATOM 1188 OE1 GLU A 131 32.004 -23.636 51.625 1.00107.70 O ATOM 1189 OE2 GLU A 131 30.120 -22.548 51.330 1.00102.40 O ATOM 1190 H GLU A 131 31.926 -28.228 53.830 1.00 0.00 H ATOM 1191 N VAL A 132 28.608 -27.996 51.796 1.00 45.63 N ATOM 1192 CA VAL A 132 28.203 -28.600 50.534 1.00 61.24 C ATOM 1193 C VAL A 132 28.310 -27.575 49.411 1.00 57.12 C ATOM 1194 O VAL A 132 27.495 -26.659 49.310 1.00 63.64 O ATOM 1195 CB VAL A 132 26.766 -29.150 50.593 1.00 63.75 C ATOM 1196 CG1 VAL A 132 26.376 -29.744 49.249 1.00 41.32 C ATOM 1197 CG2 VAL A 132 26.640 -30.191 51.694 1.00 42.58 C ATOM 1198 H VAL A 132 27.885 -27.761 52.506 1.00 0.00 H ATOM 1199 N VAL A 133 29.327 -27.735 48.572 1.00 54.87 N ATOM 1200 CA VAL A 133 29.584 -26.798 47.488 1.00 57.29 C ATOM 1201 C VAL A 133 28.643 -27.016 46.309 1.00 63.97 C ATOM 1202 O VAL A 133 27.928 -26.104 45.894 1.00 67.75 O ATOM 1203 CB VAL A 133 31.030 -26.919 46.983 1.00 58.59 C ATOM 1204 CG1 VAL A 133 31.244 -26.028 45.770 1.00 66.17 C ATOM 1205 CG2 VAL A 133 32.010 -26.577 48.094 1.00 58.52 C ATOM 1206 H VAL A 133 29.958 -28.553 48.693 1.00 0.00 H ATOM 1207 N LYS A 134 28.649 -28.229 45.771 1.00 65.82 N ATOM 1208 CA LYS A 134 27.872 -28.525 44.578 1.00 64.11 C ATOM 1209 C LYS A 134 27.326 -29.946 44.611 1.00 54.84 C ATOM 1210 O LYS A 134 27.928 -30.837 45.210 1.00 51.48 O ATOM 1211 CB LYS A 134 28.736 -28.324 43.329 1.00 60.88 C ATOM 1212 CG LYS A 134 27.958 -28.329 42.024 1.00 54.90 C ATOM 1213 CD LYS A 134 28.884 -28.298 40.822 1.00 60.22 C ATOM 1214 CE LYS A 134 28.086 -28.307 39.527 1.00 85.24 C ATOM 1215 NZ LYS A 134 28.953 -28.438 38.323 1.00 98.76 N ATOM 1216 HZ1 LYS A 134 29.616 -27.637 38.286 1.00 0.00 H ATOM 1217 HZ2 LYS A 134 29.487 -29.329 38.377 1.00 0.00 H ATOM 1218 HZ3 LYS A 134 28.360 -28.439 37.469 1.00 0.00 H ATOM 1219 H LYS A 134 29.219 -28.980 46.210 1.00 0.00 H ATOM 1220 N VAL A 135 26.176 -30.146 43.971 1.00 43.98 N ATOM 1221 CA VAL A 135 25.583 -31.470 43.829 1.00 41.93 C ATOM 1222 C VAL A 135 25.098 -31.672 42.400 1.00 51.69 C ATOM 1223 O VAL A 135 24.184 -30.987 41.946 1.00 69.67 O ATOM 1224 CB VAL A 135 24.391 -31.668 44.781 1.00 46.85 C ATOM 1225 CG1 VAL A 135 23.694 -32.996 44.494 1.00 34.65 C ATOM 1226 CG2 VAL A 135 24.844 -31.600 46.229 1.00 45.21 C ATOM 1227 H VAL A 135 25.683 -29.329 43.558 1.00 0.00 H ATOM 1228 N ARG A 136 25.714 -32.613 41.692 1.00 50.53 N ATOM 1229 CA ARG A 136 25.310 -32.921 40.326 1.00 44.82 C ATOM 1230 C ARG A 136 25.068 -34.411 40.146 1.00 42.14 C ATOM 1231 O ARG A 136 25.440 -35.221 40.996 1.00 50.20 O ATOM 1232 CB ARG A 136 26.373 -32.458 39.328 1.00 33.86 C ATOM 1233 CG ARG A 136 27.635 -33.292 39.352 1.00 32.87 C ATOM 1234 CD ARG A 136 28.562 -32.936 38.200 1.00 38.11 C ATOM 1235 NE ARG A 136 29.883 -33.536 38.371 1.00 42.37 N ATOM 1236 CZ ARG A 136 30.170 -34.807 38.106 1.00 40.77 C ATOM 1237 NH1 ARG A 136 29.228 -35.626 37.653 1.00 39.59 N ATOM 1238 NH2 ARG A 136 31.400 -35.262 38.298 1.00 31.69 N ATOM 1239 HE ARG A 136 30.650 -32.929 38.723 1.00 0.00 H ATOM 1240 HH12 ARG A 136 29.458 -36.619 37.447 1.00 0.00 H ATOM 1241 HH11 ARG A 136 28.261 -35.274 37.504 1.00 0.00 H ATOM 1242 HH22 ARG A 136 31.625 -36.256 38.091 1.00 0.00 H ATOM 1243 HH21 ARG A 136 32.140 -34.625 38.656 1.00 0.00 H ATOM 1244 H ARG A 136 26.501 -33.141 42.122 1.00 0.00 H ATOM 1245 N GLU A 137 24.441 -34.765 39.030 1.00 45.27 N ATOM 1246 CA GLU A 137 24.258 -36.163 38.671 1.00 48.66 C ATOM 1247 C GLU A 137 25.556 -36.747 38.136 1.00 50.66 C ATOM 1248 O GLU A 137 26.361 -36.040 37.525 1.00 47.05 O ATOM 1249 CB GLU A 137 23.150 -36.311 37.627 1.00 55.25 C ATOM 1250 CG GLU A 137 21.754 -36.391 38.215 1.00 69.55 C ATOM 1251 CD GLU A 137 21.536 -37.662 39.014 1.00 89.60 C ATOM 1252 OE1 GLU A 137 20.606 -37.689 39.847 1.00 96.70 O ATOM 1253 OE2 GLU A 137 22.291 -38.637 38.807 1.00 95.20 O ATOM 1254 H GLU A 137 24.072 -34.026 38.398 1.00 0.00 H ATOM 1255 N ALA A 138 25.760 -38.038 38.373 1.00 48.58 N ATOM 1256 CA ALA A 138 26.945 -38.718 37.870 1.00 49.32 C ATOM 1257 C ALA A 138 26.761 -39.127 36.413 1.00 42.43 C ATOM 1258 O ALA A 138 25.648 -39.414 35.968 1.00 37.98 O ATOM 1259 CB ALA A 138 27.277 -39.928 38.729 1.00 26.98 C ATOM 1260 H ALA A 138 25.061 -38.572 38.928 1.00 0.00 H ATOM 1261 N THR A 139 27.862 -39.138 35.673 1.00 34.96 N ATOM 1262 CA THR A 139 27.854 -39.574 34.288 1.00 28.73 C ATOM 1263 C THR A 139 27.851 -41.099 34.242 1.00 40.20 C ATOM 1264 O THR A 139 28.183 -41.746 35.235 1.00 47.34 O ATOM 1265 CB THR A 139 29.097 -39.053 33.566 1.00 29.86 C ATOM 1266 OG1 THR A 139 30.261 -39.672 34.129 1.00 32.17 O ATOM 1267 CG2 THR A 139 29.197 -37.546 33.720 1.00 30.87 C ATOM 1268 HG1 THR A 139 30.318 -39.451 35.092 1.00 0.00 H ATOM 1269 H THR A 139 28.758 -38.825 36.098 1.00 0.00 H ATOM 1270 N PRO A 140 27.454 -41.681 33.098 1.00 38.05 N ATOM 1271 CA PRO A 140 27.517 -43.139 32.940 1.00 34.97 C ATOM 1272 C PRO A 140 28.917 -43.692 33.204 1.00 33.51 C ATOM 1273 O PRO A 140 29.054 -44.749 33.819 1.00 28.74 O ATOM 1274 CB PRO A 140 27.143 -43.339 31.470 1.00 31.47 C ATOM 1275 CG PRO A 140 26.252 -42.192 31.163 1.00 33.73 C ATOM 1276 CD PRO A 140 26.779 -41.032 31.957 1.00 28.98 C ATOM 1277 N GLU A 141 29.938 -42.977 32.738 1.00 38.38 N ATOM 1278 CA GLU A 141 31.325 -43.373 32.956 1.00 39.61 C ATOM 1279 C GLU A 141 31.615 -43.482 34.444 1.00 39.77 C ATOM 1280 O GLU A 141 32.186 -44.471 34.906 1.00 41.19 O ATOM 1281 CB GLU A 141 32.284 -42.362 32.323 1.00 46.02 C ATOM 1282 CG GLU A 141 32.255 -42.304 30.799 1.00 55.63 C ATOM 1283 CD GLU A 141 31.097 -41.486 30.246 1.00 57.17 C ATOM 1284 OE1 GLU A 141 30.185 -41.121 31.018 1.00 59.50 O ATOM 1285 OE2 GLU A 141 31.101 -41.206 29.029 1.00 60.86 O ATOM 1286 H GLU A 141 29.741 -42.108 32.201 1.00 0.00 H ATOM 1287 N GLU A 142 31.211 -42.459 35.189 1.00 34.53 N ATOM 1288 CA GLU A 142 31.429 -42.421 36.628 1.00 42.92 C ATOM 1289 C GLU A 142 30.772 -43.606 37.334 1.00 41.63 C ATOM 1290 O GLU A 142 31.406 -44.273 38.157 1.00 32.51 O ATOM 1291 CB GLU A 142 30.940 -41.092 37.208 1.00 37.48 C ATOM 1292 CG GLU A 142 31.901 -39.938 36.964 1.00 30.19 C ATOM 1293 CD GLU A 142 31.281 -38.579 37.225 1.00 40.78 C ATOM 1294 OE1 GLU A 142 30.050 -38.439 37.059 1.00 33.30 O ATOM 1295 OE2 GLU A 142 32.030 -37.648 37.596 1.00 40.09 O ATOM 1296 H GLU A 142 30.725 -41.662 34.731 1.00 0.00 H ATOM 1297 N LEU A 143 29.512 -43.874 36.998 1.00 32.99 N ATOM 1298 CA LEU A 143 28.797 -45.015 37.565 1.00 25.84 C ATOM 1299 C LEU A 143 29.473 -46.326 37.187 1.00 26.14 C ATOM 1300 O LEU A 143 29.547 -47.247 37.996 1.00 45.01 O ATOM 1301 CB LEU A 143 27.337 -45.027 37.108 1.00 25.60 C ATOM 1302 CG LEU A 143 26.477 -43.860 37.593 1.00 35.86 C ATOM 1303 CD1 LEU A 143 25.071 -43.948 37.029 1.00 25.44 C ATOM 1304 CD2 LEU A 143 26.451 -43.823 39.115 1.00 25.27 C ATOM 1305 H LEU A 143 29.026 -43.257 36.316 1.00 0.00 H ATOM 1306 N LEU A 144 29.970 -46.404 35.958 1.00 26.84 N ATOM 1307 CA LEU A 144 30.681 -47.592 35.502 1.00 41.90 C ATOM 1308 C LEU A 144 31.946 -47.832 36.310 1.00 27.78 C ATOM 1309 O LEU A 144 32.273 -48.966 36.644 1.00 34.84 O ATOM 1310 CB LEU A 144 31.036 -47.475 34.020 1.00 28.56 C ATOM 1311 CG LEU A 144 30.049 -48.099 33.039 1.00 28.82 C ATOM 1312 CD1 LEU A 144 30.566 -47.964 31.623 1.00 36.15 C ATOM 1313 CD2 LEU A 144 29.831 -49.557 33.396 1.00 41.26 C ATOM 1314 H LEU A 144 29.850 -45.601 35.308 1.00 0.00 H ATOM 1315 N HIS A 145 32.657 -46.756 36.620 1.00 33.89 N ATOM 1316 CA HIS A 145 33.914 -46.861 37.349 1.00 34.61 C ATOM 1317 C HIS A 145 33.690 -46.869 38.859 1.00 38.29 C ATOM 1318 O HIS A 145 34.561 -47.281 39.621 1.00 43.17 O ATOM 1319 CB HIS A 145 34.860 -45.730 36.942 1.00 30.61 C ATOM 1320 CG HIS A 145 35.227 -45.748 35.490 1.00 49.98 C ATOM 1321 ND1 HIS A 145 35.763 -44.657 34.843 1.00 54.28 N ATOM 1322 CD2 HIS A 145 35.132 -46.730 34.562 1.00 47.81 C ATOM 1323 CE1 HIS A 145 35.985 -44.965 33.576 1.00 55.85 C ATOM 1324 NE2 HIS A 145 35.610 -46.216 33.381 1.00 53.52 N ATOM 1325 H HIS A 145 32.310 -45.818 36.337 1.00 0.00 H ATOM 1326 N GLY A 146 32.517 -46.415 39.286 1.00 29.07 N ATOM 1327 CA GLY A 146 32.183 -46.397 40.696 1.00 41.85 C ATOM 1328 C GLY A 146 32.927 -45.315 41.453 1.00 37.11 C ATOM 1329 O GLY A 146 32.937 -45.298 42.686 1.00 36.75 O ATOM 1330 H GLY A 146 31.824 -46.065 38.594 1.00 0.00 H ATOM 1331 N HIS A 147 33.554 -44.412 40.706 1.00 34.41 N ATOM 1332 CA HIS A 147 34.267 -43.284 41.290 1.00 37.80 C ATOM 1333 C HIS A 147 33.940 -42.000 40.538 1.00 43.93 C ATOM 1334 O HIS A 147 33.559 -42.033 39.368 1.00 41.28 O ATOM 1335 CB HIS A 147 35.777 -43.533 41.266 1.00 31.60 C ATOM 1336 CG HIS A 147 36.209 -44.696 42.101 1.00 41.88 C ATOM 1337 ND1 HIS A 147 36.218 -44.660 43.482 1.00 42.99 N ATOM 1338 CD2 HIS A 147 36.648 -45.929 41.758 1.00 44.42 C ATOM 1339 CE1 HIS A 147 36.643 -45.818 43.948 1.00 53.76 C ATOM 1340 NE2 HIS A 147 36.911 -46.609 42.922 1.00 53.90 N ATOM 1341 H HIS A 147 33.535 -44.514 39.671 1.00 0.00 H ATOM 1342 N ALA A 148 34.079 -40.868 41.218 1.00 45.49 N ATOM 1343 CA ALA A 148 33.888 -39.575 40.578 1.00 37.68 C ATOM 1344 C ALA A 148 35.075 -39.298 39.669 1.00 46.76 C ATOM 1345 O ALA A 148 36.166 -39.826 39.887 1.00 42.61 O ATOM 1346 CB ALA A 148 33.745 -38.480 41.623 1.00 41.94 C ATOM 1347 H ALA A 148 34.329 -40.906 42.227 1.00 0.00 H ATOM 1348 N HIS A 149 34.862 -38.476 38.649 1.00 64.39 N ATOM 1349 CA HIS A 149 35.933 -38.121 37.730 1.00 73.71 C ATOM 1350 C HIS A 149 36.714 -36.930 38.274 1.00 87.48 C ATOM 1351 O HIS A 149 36.163 -35.839 38.422 1.00 89.76 O ATOM 1352 CB HIS A 149 35.368 -37.797 36.348 1.00 87.74 C ATOM 1353 CG HIS A 149 36.395 -37.808 35.258 1.00107.83 C ATOM 1354 ND1 HIS A 149 36.935 -38.973 34.758 1.00116.06 N ATOM 1355 CD2 HIS A 149 36.981 -36.797 34.574 1.00111.11 C ATOM 1356 CE1 HIS A 149 37.809 -38.680 33.811 1.00116.21 C ATOM 1357 NE2 HIS A 149 37.855 -37.366 33.680 1.00114.53 N ATOM 1358 H HIS A 149 33.912 -38.078 38.504 1.00 0.00 H ATOM 1359 N PRO A 150 38.004 -37.140 38.580 1.00 97.09 N ATOM 1360 CA PRO A 150 38.865 -36.088 39.132 1.00100.13 C ATOM 1361 C PRO A 150 39.324 -35.102 38.061 1.00 97.77 C ATOM 1362 O PRO A 150 38.484 -34.431 37.458 1.00 89.21 O ATOM 1363 CB PRO A 150 40.062 -36.874 39.668 1.00 96.90 C ATOM 1364 CG PRO A 150 40.143 -38.063 38.774 1.00 93.36 C ATOM 1365 CD PRO A 150 38.720 -38.421 38.435 1.00 91.16 C TER 1366 PRO A 150 HETATM 1367 O HOH 1 19.871 -41.216 48.455 1.00 40.85 O HETATM 1368 O HOH 2 31.937 -52.728 63.436 1.00 49.79 O HETATM 1369 N THR A 3 45.793 -55.925 61.414 1.00 0.24 N HETATM 1370 CA THR A 3 45.361 -55.536 60.081 1.00 0.09 C HETATM 1371 C THR A 3 46.186 -54.366 59.558 1.00 0.23 C HETATM 1372 O THR A 3 45.896 -53.208 59.877 1.00 -0.39 O HETATM 1373 N THR A 3 47.215 -54.658 58.762 1.00 -0.26 N HETATM 1374 CA THR A 3 47.583 -56.021 58.374 1.00 0.13 C HETATM 1375 C THR A 3 49.036 -56.311 58.747 1.00 0.20 C HETATM 1376 O THR A 3 49.816 -55.389 58.985 1.00 -0.39 O HETATM 1377 N THR A 3 49.404 -57.588 58.797 1.00 -0.26 N HETATM 1378 CA THR A 3 50.759 -57.940 59.194 1.00 0.14 C HETATM 1379 C THR A 3 51.661 -58.297 58.025 1.00 0.21 C HETATM 1380 O THR A 3 51.294 -58.117 56.857 1.00 -0.39 O HETATM 1381 N THR A 3 52.838 -58.814 58.342 1.00 -0.26 N HETATM 1382 CA THR A 3 53.951 -58.716 57.410 1.00 0.14 C HETATM 1383 C THR A 3 54.344 -60.038 56.699 1.00 0.21 C HETATM 1384 O THR A 3 54.605 -60.022 55.491 1.00 -0.39 O HETATM 1385 N THR A 3 54.369 -61.150 57.439 1.00 -0.26 N HETATM 1386 CA THR A 3 54.523 -62.494 56.886 1.00 0.15 C HETATM 1387 C THR A 3 55.776 -62.791 56.073 1.00 0.21 C HETATM 1388 O THR A 3 55.763 -62.712 54.846 1.00 -0.39 O HETATM 1389 N THR A 3 56.861 -63.159 56.760 1.00 -0.25 N HETATM 1390 CA THR A 3 58.077 -63.587 56.068 1.00 0.13 C HETATM 1391 C THR A 3 57.884 -64.901 55.303 1.00 0.20 C HETATM 1392 O THR A 3 58.778 -65.283 54.550 1.00 -0.39 O HETATM 1393 N THR A 3 56.740 -65.567 55.471 1.00 -0.26 N HETATM 1394 CA THR A 3 56.476 -66.833 54.780 1.00 0.13 C HETATM 1395 C THR A 3 56.193 -66.646 53.289 1.00 0.20 C HETATM 1396 O THR A 3 55.669 -67.542 52.628 1.00 -0.39 O HETATM 1397 N THR A 3 56.540 -65.473 52.775 1.00 -0.26 N HETATM 1398 CA THR A 3 56.534 -65.203 51.348 1.00 0.13 C HETATM 1399 C THR A 3 57.943 -64.738 51.018 1.00 0.20 C HETATM 1400 O THR A 3 58.921 -65.431 51.300 1.00 -0.39 O HETATM 1401 N THR A 3 58.038 -63.557 50.421 1.00 -0.26 N HETATM 1402 CA THR A 3 59.291 -62.819 50.370 1.00 0.13 C HETATM 1403 C THR A 3 58.949 -61.339 50.274 1.00 0.21 C HETATM 1404 O THR A 3 59.060 -60.735 49.206 1.00 -0.39 O HETATM 1405 N THR A 3 58.510 -60.753 51.398 1.00 -0.25 N HETATM 1406 CA THR A 3 58.044 -59.364 51.435 1.00 0.13 C HETATM 1407 C THR A 3 59.159 -58.382 51.114 1.00 0.20 C HETATM 1408 O THR A 3 60.280 -58.530 51.605 1.00 -0.39 O HETATM 1409 N THR A 3 58.847 -57.389 50.290 1.00 -0.26 N HETATM 1410 CA THR A 3 59.800 -56.334 49.983 1.00 0.14 C HETATM 1411 C THR A 3 59.142 -54.972 50.148 1.00 0.21 C HETATM 1412 O THR A 3 57.935 -54.880 50.368 1.00 -0.39 O HETATM 1413 N THR A 3 59.941 -53.918 50.036 1.00 -0.26 N HETATM 1414 CA THR A 3 59.467 -52.564 50.284 1.00 0.13 C HETATM 1415 C THR A 3 59.974 -51.583 49.231 1.00 0.20 C HETATM 1416 O THR A 3 61.172 -51.527 48.950 1.00 -0.39 O HETATM 1417 N THR A 3 59.059 -50.814 48.649 1.00 -0.26 N HETATM 1418 CA THR A 3 59.438 -49.736 47.743 1.00 0.14 C HETATM 1419 C THR A 3 58.876 -48.410 48.234 1.00 0.21 C HETATM 1420 O THR A 3 57.944 -48.390 49.035 1.00 -0.39 O HETATM 1421 N THR A 3 59.444 -47.305 47.760 1.00 -0.27 N HETATM 1422 CA THR A 3 59.093 -45.996 48.283 1.00 0.12 C HETATM 1423 C THR A 3 58.526 -45.007 47.283 1.00 0.20 C HETATM 1424 O THR A 3 58.951 -43.850 47.239 1.00 -0.39 O HETATM 1425 N THR A 3 57.556 -45.450 46.490 1.00 -0.26 N HETATM 1426 CA THR A 3 56.930 -44.583 45.495 1.00 0.13 C HETATM 1427 C THR A 3 55.836 -43.720 46.122 1.00 0.20 C HETATM 1428 O THR A 3 55.170 -42.948 45.431 1.00 -0.39 O HETATM 1429 N THR A 3 55.662 -43.854 47.434 1.00 -0.30 N HETATM 1430 H134 THR A 3 54.961 -43.316 47.903 1.00 0.18 H HETATM 1431 H135 THR A 3 56.232 -44.492 47.951 1.00 0.18 H HETATM 1432 CB THR A 3 56.367 -45.409 44.346 1.00 -0.02 C HETATM 1433 H131 THR A 3 55.900 -44.740 43.608 1.00 0.03 H HETATM 1434 H132 THR A 3 55.613 -46.110 44.733 1.00 0.03 H HETATM 1435 H133 THR A 3 57.181 -45.973 43.867 1.00 0.03 H HETATM 1436 H130 THR A 3 57.703 -43.913 45.091 1.00 0.08 H HETATM 1437 H129 THR A 3 57.248 -46.398 46.576 1.00 0.19 H HETATM 1438 H127 THR A 3 60.002 -45.552 48.716 1.00 0.08 H HETATM 1439 H128 THR A 3 58.343 -46.141 49.075 1.00 0.08 H HETATM 1440 H126 THR A 3 60.125 -47.376 47.031 1.00 0.19 H HETATM 1441 CB THR A 3 58.991 -50.028 46.308 1.00 0.02 C HETATM 1442 CG THR A 3 57.521 -50.305 46.168 1.00 -0.04 C HETATM 1443 CD1 THR A 3 56.633 -49.282 45.877 1.00 -0.06 C HETATM 1444 CE1 THR A 3 55.284 -49.536 45.739 1.00 -0.07 C HETATM 1445 CZ THR A 3 54.807 -50.824 45.886 1.00 -0.07 C HETATM 1446 CE2 THR A 3 55.680 -51.852 46.171 1.00 -0.07 C HETATM 1447 CD2 THR A 3 57.029 -51.593 46.307 1.00 -0.06 C HETATM 1448 H122 THR A 3 57.711 -52.407 46.525 1.00 0.06 H HETATM 1449 H124 THR A 3 55.307 -52.863 46.288 1.00 0.06 H HETATM 1450 H125 THR A 3 53.748 -51.026 45.777 1.00 0.06 H HETATM 1451 H123 THR A 3 54.599 -48.726 45.516 1.00 0.06 H HETATM 1452 H121 THR A 3 57.003 -48.270 45.756 1.00 0.06 H HETATM 1453 H119 THR A 3 59.544 -50.907 45.946 1.00 0.05 H HETATM 1454 H120 THR A 3 59.239 -49.156 45.685 1.00 0.05 H HETATM 1455 H118 THR A 3 60.535 -49.662 47.745 1.00 0.08 H HETATM 1456 H117 THR A 3 58.090 -50.978 48.836 1.00 0.19 H HETATM 1457 CB THR A 3 59.917 -52.072 51.677 1.00 -0.00 C HETATM 1458 CG1 THR A 3 59.313 -52.946 52.779 1.00 -0.05 C HETATM 1459 CD1 THR A 3 59.725 -52.546 54.176 1.00 -0.06 C HETATM 1460 H114 THR A 3 59.251 -53.220 54.905 1.00 0.02 H HETATM 1461 H115 THR A 3 59.405 -51.512 54.371 1.00 0.02 H HETATM 1462 H116 THR A 3 60.819 -52.615 54.270 1.00 0.02 H HETATM 1463 H109 THR A 3 59.631 -53.985 52.609 1.00 0.03 H HETATM 1464 H110 THR A 3 58.217 -52.882 52.710 1.00 0.03 H HETATM 1465 CG2 THR A 3 59.538 -50.615 51.884 1.00 -0.06 C HETATM 1466 H111 THR A 3 59.980 -50.004 51.084 1.00 0.02 H HETATM 1467 H112 THR A 3 59.916 -50.273 52.858 1.00 0.02 H HETATM 1468 H113 THR A 3 58.443 -50.514 51.860 1.00 0.02 H HETATM 1469 H108 THR A 3 61.013 -52.154 51.733 1.00 0.03 H HETATM 1470 H107 THR A 3 58.368 -52.575 50.251 1.00 0.08 H HETATM 1471 H106 THR A 3 60.896 -54.058 49.774 1.00 0.19 H HETATM 1472 CB THR A 3 60.361 -56.497 48.569 1.00 0.02 C HETATM 1473 CG THR A 3 59.350 -56.277 47.485 1.00 -0.04 C HETATM 1474 CD1 THR A 3 59.188 -55.025 46.915 1.00 -0.06 C HETATM 1475 CE1 THR A 3 58.258 -54.819 45.919 1.00 -0.07 C HETATM 1476 CZ THR A 3 57.480 -55.869 45.478 1.00 -0.07 C HETATM 1477 CE2 THR A 3 57.633 -57.122 46.034 1.00 -0.07 C HETATM 1478 CD2 THR A 3 58.564 -57.322 47.032 1.00 -0.06 C HETATM 1479 H102 THR A 3 58.681 -58.308 47.466 1.00 0.06 H HETATM 1480 H104 THR A 3 57.023 -57.948 45.687 1.00 0.06 H HETATM 1481 H105 THR A 3 56.748 -55.709 44.694 1.00 0.06 H HETATM 1482 H103 THR A 3 58.138 -53.834 45.483 1.00 0.06 H HETATM 1483 H101 THR A 3 59.800 -54.198 47.256 1.00 0.06 H HETATM 1484 H99 THR A 3 60.758 -57.518 48.470 1.00 0.05 H HETATM 1485 H100 THR A 3 61.176 -55.771 48.434 1.00 0.05 H HETATM 1486 H98 THR A 3 60.636 -56.404 50.695 1.00 0.08 H HETATM 1487 H97 THR A 3 57.939 -57.366 49.872 1.00 0.19 H HETATM 1488 CB THR A 3 57.601 -59.178 52.892 1.00 -0.01 C HETATM 1489 CG THR A 3 57.434 -60.549 53.431 1.00 -0.03 C HETATM 1490 CD THR A 3 58.446 -61.383 52.726 1.00 0.04 C HETATM 1491 H95 THR A 3 59.421 -61.339 53.234 1.00 0.05 H HETATM 1492 H96 THR A 3 58.117 -62.430 52.654 1.00 0.05 H HETATM 1493 H93 THR A 3 56.419 -60.921 53.226 1.00 0.03 H HETATM 1494 H94 THR A 3 57.616 -60.560 54.516 1.00 0.03 H HETATM 1495 H91 THR A 3 56.650 -58.628 52.938 1.00 0.03 H HETATM 1496 H92 THR A 3 58.368 -58.632 53.461 1.00 0.03 H HETATM 1497 H90 THR A 3 57.206 -59.213 50.739 1.00 0.08 H HETATM 1498 CB THR A 3 60.168 -63.262 49.196 1.00 -0.01 C HETATM 1499 CG THR A 3 61.567 -62.644 49.200 1.00 -0.04 C HETATM 1500 CD THR A 3 62.653 -63.702 49.339 1.00 -0.01 C HETATM 1501 CE THR A 3 64.042 -63.075 49.364 1.00 -0.04 C HETATM 1502 NZ THR A 3 64.357 -62.344 48.102 1.00 0.22 N HETATM 1503 H87 THR A 3 65.282 -61.948 48.165 1.00 0.20 H HETATM 1504 H88 THR A 3 63.684 -61.606 47.964 1.00 0.20 H HETATM 1505 H89 THR A 3 64.318 -62.984 47.324 1.00 0.20 H HETATM 1506 H85 THR A 3 64.787 -63.872 49.507 1.00 0.08 H HETATM 1507 H86 THR A 3 64.096 -62.368 50.205 1.00 0.08 H HETATM 1508 H83 THR A 3 62.589 -64.395 48.487 1.00 0.03 H HETATM 1509 H84 THR A 3 62.494 -64.257 50.276 1.00 0.03 H HETATM 1510 H81 THR A 3 61.644 -61.942 50.044 1.00 0.03 H HETATM 1511 H82 THR A 3 61.719 -62.100 48.256 1.00 0.03 H HETATM 1512 H79 THR A 3 59.665 -62.975 48.261 1.00 0.03 H HETATM 1513 H80 THR A 3 60.273 -64.356 49.235 1.00 0.03 H HETATM 1514 H78 THR A 3 59.848 -62.999 51.301 1.00 0.08 H HETATM 1515 H77 THR A 3 57.225 -63.162 49.993 1.00 0.19 H HETATM 1516 CB THR A 3 55.541 -64.087 51.027 1.00 -0.00 C HETATM 1517 CG THR A 3 54.148 -64.288 51.611 1.00 -0.00 C HETATM 1518 SD THR A 3 53.270 -65.698 50.910 1.00 -0.16 S HETATM 1519 CE THR A 3 51.627 -65.448 51.581 1.00 -0.02 C HETATM 1520 H74 THR A 3 50.962 -66.252 51.231 1.00 0.03 H HETATM 1521 H75 THR A 3 51.237 -64.477 51.243 1.00 0.03 H HETATM 1522 H76 THR A 3 51.674 -65.463 52.680 1.00 0.03 H HETATM 1523 H72 THR A 3 53.557 -63.380 51.421 1.00 0.04 H HETATM 1524 H73 THR A 3 54.244 -64.442 52.696 1.00 0.04 H HETATM 1525 H70 THR A 3 55.447 -64.016 49.933 1.00 0.03 H HETATM 1526 H71 THR A 3 55.946 -63.144 51.423 1.00 0.03 H HETATM 1527 H69 THR A 3 56.277 -66.109 50.781 1.00 0.08 H HETATM 1528 H68 THR A 3 56.818 -64.742 53.398 1.00 0.19 H HETATM 1529 CB THR A 3 55.334 -67.600 55.455 1.00 -0.01 C HETATM 1530 CG THR A 3 55.698 -68.169 56.818 1.00 -0.04 C HETATM 1531 CD THR A 3 54.525 -68.895 57.453 1.00 -0.01 C HETATM 1532 CE THR A 3 54.927 -69.520 58.780 1.00 -0.04 C HETATM 1533 NZ THR A 3 53.766 -70.166 59.448 1.00 0.22 N HETATM 1534 H65 THR A 3 54.063 -70.570 60.322 1.00 0.20 H HETATM 1535 H66 THR A 3 53.396 -70.890 58.852 1.00 0.20 H HETATM 1536 H67 THR A 3 53.052 -69.476 59.622 1.00 0.20 H HETATM 1537 H63 THR A 3 55.328 -68.735 59.438 1.00 0.08 H HETATM 1538 H64 THR A 3 55.703 -70.278 58.598 1.00 0.08 H HETATM 1539 H61 THR A 3 54.180 -69.687 56.772 1.00 0.03 H HETATM 1540 H62 THR A 3 53.709 -68.178 57.625 1.00 0.03 H HETATM 1541 H59 THR A 3 56.007 -67.345 57.478 1.00 0.03 H HETATM 1542 H60 THR A 3 56.532 -68.876 56.698 1.00 0.03 H HETATM 1543 H57 THR A 3 55.040 -68.433 54.799 1.00 0.03 H HETATM 1544 H58 THR A 3 54.483 -66.915 55.581 1.00 0.03 H HETATM 1545 H56 THR A 3 57.385 -67.446 54.865 1.00 0.08 H HETATM 1546 H55 THR A 3 56.044 -65.193 56.084 1.00 0.19 H HETATM 1547 CB THR A 3 59.078 -63.783 57.211 1.00 -0.01 C HETATM 1548 CG THR A 3 58.541 -62.960 58.339 1.00 -0.03 C HETATM 1549 CD THR A 3 57.059 -63.053 58.215 1.00 0.04 C HETATM 1550 H53 THR A 3 56.673 -63.943 58.734 1.00 0.05 H HETATM 1551 H54 THR A 3 56.570 -62.153 58.617 1.00 0.05 H HETATM 1552 H51 THR A 3 58.872 -61.915 58.246 1.00 0.03 H HETATM 1553 H52 THR A 3 58.874 -63.365 59.306 1.00 0.03 H HETATM 1554 H49 THR A 3 60.077 -63.429 56.916 1.00 0.03 H HETATM 1555 H50 THR A 3 59.134 -64.843 57.498 1.00 0.03 H HETATM 1556 H48 THR A 3 58.420 -62.809 55.371 1.00 0.08 H HETATM 1557 CB THR A 3 53.297 -62.901 56.067 1.00 0.08 C HETATM 1558 CG THR A 3 52.021 -62.915 56.872 1.00 0.18 C HETATM 1559 OD1 THR A 3 51.978 -63.405 57.998 1.00 -0.40 O HETATM 1560 ND2 THR A 3 50.961 -62.360 56.288 1.00 -0.30 N HETATM 1561 H46 THR A 3 50.083 -62.335 56.766 1.00 0.18 H HETATM 1562 H47 THR A 3 51.043 -61.968 55.372 1.00 0.18 H HETATM 1563 H44 THR A 3 53.466 -63.910 55.663 1.00 0.06 H HETATM 1564 H45 THR A 3 53.179 -62.188 55.237 1.00 0.06 H HETATM 1565 H43 THR A 3 54.566 -63.163 57.758 1.00 0.08 H HETATM 1566 H42 THR A 3 54.277 -61.057 58.430 1.00 0.19 H HETATM 1567 CB THR A 3 55.110 -58.018 58.136 1.00 0.00 C HETATM 1568 CG THR A 3 56.461 -58.290 57.622 1.00 -0.04 C HETATM 1569 CD1 THR A 3 57.294 -59.286 58.025 1.00 0.02 C HETATM 1570 NE1 THR A 3 58.483 -59.211 57.344 1.00 -0.29 N HETATM 1571 CE2 THR A 3 58.440 -58.144 56.487 1.00 0.06 C HETATM 1572 CD2 THR A 3 57.181 -57.532 56.641 1.00 -0.02 C HETATM 1573 CE3 THR A 3 56.879 -56.405 55.869 1.00 -0.07 C HETATM 1574 CZ3 THR A 3 57.833 -55.936 54.984 1.00 -0.08 C HETATM 1575 CH2 THR A 3 59.076 -56.569 54.855 1.00 -0.08 C HETATM 1576 CZ2 THR A 3 59.397 -57.670 55.596 1.00 -0.04 C HETATM 1577 H39 THR A 3 60.361 -58.156 55.494 1.00 0.05 H HETATM 1578 H41 THR A 3 59.800 -56.176 54.151 1.00 0.05 H HETATM 1579 H40 THR A 3 57.615 -55.063 54.380 1.00 0.05 H HETATM 1580 H38 THR A 3 55.919 -55.910 55.962 1.00 0.05 H HETATM 1581 H37 THR A 3 59.279 -59.854 57.459 1.00 0.22 H HETATM 1582 H36 THR A 3 57.053 -60.034 58.779 1.00 0.08 H HETATM 1583 H34 THR A 3 55.083 -58.333 59.190 1.00 0.04 H HETATM 1584 H35 THR A 3 54.940 -56.933 58.073 1.00 0.04 H HETATM 1585 H33 THR A 3 53.627 -58.039 56.605 1.00 0.08 H HETATM 1586 H32 THR A 3 52.962 -59.272 59.222 1.00 0.19 H HETATM 1587 CB THR A 3 50.791 -58.992 60.314 1.00 0.02 C HETATM 1588 CG THR A 3 49.868 -60.184 60.141 1.00 -0.05 C HETATM 1589 CD1 THR A 3 50.313 -61.349 59.530 1.00 -0.07 C HETATM 1590 CE1 THR A 3 49.472 -62.450 59.380 1.00 -0.04 C HETATM 1591 CZ THR A 3 48.175 -62.400 59.854 1.00 0.08 C HETATM 1592 CE2 THR A 3 47.715 -61.260 60.475 1.00 -0.04 C HETATM 1593 CD2 THR A 3 48.561 -60.160 60.623 1.00 -0.07 C HETATM 1594 H28 THR A 3 48.194 -59.270 61.122 1.00 0.05 H HETATM 1595 H30 THR A 3 46.698 -61.217 60.848 1.00 0.05 H HETATM 1596 OH THR A 3 47.330 -63.486 59.712 1.00 -0.34 O HETATM 1597 H31 THR A 3 47.790 -64.188 59.267 1.00 0.25 H HETATM 1598 H29 THR A 3 49.836 -63.346 58.891 1.00 0.05 H HETATM 1599 H27 THR A 3 51.332 -61.403 59.164 1.00 0.05 H HETATM 1600 H25 THR A 3 50.518 -58.490 61.254 1.00 0.05 H HETATM 1601 H26 THR A 3 51.820 -59.373 60.387 1.00 0.05 H HETATM 1602 H24 THR A 3 51.188 -57.026 59.630 1.00 0.08 H HETATM 1603 H23 THR A 3 48.749 -58.306 58.562 1.00 0.19 H HETATM 1604 CB THR A 3 47.384 -56.230 56.872 1.00 -0.01 C HETATM 1605 CG THR A 3 45.941 -56.066 56.411 1.00 -0.02 C HETATM 1606 CD THR A 3 45.800 -56.283 54.915 1.00 0.06 C HETATM 1607 NE THR A 3 44.414 -56.179 54.465 1.00 -0.27 N HETATM 1608 CZ THR A 3 44.038 -56.313 53.197 1.00 0.29 C HETATM 1609 NH1 THR A 3 44.947 -56.554 52.262 1.00 -0.28 N HETATM 1610 H19 THR A 3 44.659 -56.658 51.279 1.00 0.26 H HETATM 1611 H20 THR A 3 45.941 -56.637 52.519 1.00 0.26 H HETATM 1612 NH2 THR A 3 42.759 -56.206 52.860 1.00 -0.28 N HETATM 1613 H21 THR A 3 42.050 -56.019 53.583 1.00 0.26 H HETATM 1614 H22 THR A 3 42.475 -56.310 51.875 1.00 0.26 H HETATM 1615 H18 THR A 3 43.687 -55.991 55.170 1.00 0.26 H HETATM 1616 H16 THR A 3 46.178 -57.286 54.666 1.00 0.07 H HETATM 1617 H17 THR A 3 46.400 -55.525 54.390 1.00 0.07 H HETATM 1618 H14 THR A 3 45.602 -55.049 56.657 1.00 0.03 H HETATM 1619 H15 THR A 3 45.313 -56.799 56.938 1.00 0.03 H HETATM 1620 H12 THR A 3 47.715 -57.248 56.617 1.00 0.03 H HETATM 1621 H13 THR A 3 48.004 -55.497 56.335 1.00 0.03 H HETATM 1622 H11 THR A 3 46.934 -56.724 58.915 1.00 0.08 H HETATM 1623 H10 THR A 3 47.767 -53.903 58.410 1.00 0.19 H HETATM 1624 CB THR A 3 43.867 -55.151 60.077 1.00 0.11 C HETATM 1625 OG1 THR A 3 43.681 -53.940 60.819 1.00 -0.38 O HETATM 1626 H6 THR A 3 44.188 -53.243 60.419 1.00 0.21 H HETATM 1627 CG2 THR A 3 43.039 -56.255 60.712 1.00 -0.03 C HETATM 1628 H7 THR A 3 41.977 -55.968 60.703 1.00 0.03 H HETATM 1629 H8 THR A 3 43.368 -56.409 61.750 1.00 0.03 H HETATM 1630 H9 THR A 3 43.172 -57.187 60.143 1.00 0.03 H HETATM 1631 H5 THR A 3 43.535 -54.999 59.039 1.00 0.07 H HETATM 1632 H4 THR A 3 45.504 -56.394 59.408 1.00 0.11 H HETATM 1633 H1 THR A 3 46.770 -56.172 61.392 1.00 0.20 H HETATM 1634 H2 THR A 3 45.253 -56.718 61.724 1.00 0.20 H HETATM 1635 H3 THR A 3 45.655 -55.155 62.050 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1369 1370 1633 1634 1635 CONECT 1370 1369 1371 1624 1632 CONECT 1371 1370 1372 1373 CONECT 1372 1371 CONECT 1373 1371 1374 1623 CONECT 1374 1373 1375 1604 1622 CONECT 1375 1374 1376 1377 CONECT 1376 1375 CONECT 1377 1375 1378 1603 CONECT 1378 1377 1379 1587 1602 CONECT 1379 1378 1380 1381 CONECT 1380 1379 CONECT 1381 1379 1382 1586 CONECT 1382 1381 1383 1567 1585 CONECT 1383 1382 1384 1385 CONECT 1384 1383 CONECT 1385 1383 1386 1566 CONECT 1386 1385 1387 1557 1565 CONECT 1387 1386 1388 1389 CONECT 1388 1387 CONECT 1389 1387 1390 1549 CONECT 1390 1389 1391 1547 1556 CONECT 1391 1390 1392 1393 CONECT 1392 1391 CONECT 1393 1391 1394 1546 CONECT 1394 1393 1395 1529 1545 CONECT 1395 1394 1396 1397 CONECT 1396 1395 CONECT 1397 1395 1398 1528 CONECT 1398 1397 1399 1516 1527 CONECT 1399 1398 1400 1401 CONECT 1400 1399 CONECT 1401 1399 1402 1515 CONECT 1402 1401 1403 1498 1514 CONECT 1403 1402 1404 1405 CONECT 1404 1403 CONECT 1405 1403 1406 1490 CONECT 1406 1405 1407 1488 1497 CONECT 1407 1406 1408 1409 CONECT 1408 1407 CONECT 1409 1407 1410 1487 CONECT 1410 1409 1411 1472 1486 CONECT 1411 1410 1412 1413 CONECT 1412 1411 CONECT 1413 1411 1414 1471 CONECT 1414 1413 1415 1457 1470 CONECT 1415 1414 1416 1417 CONECT 1416 1415 CONECT 1417 1415 1418 1456 CONECT 1418 1417 1419 1441 1455 CONECT 1419 1418 1420 1421 CONECT 1420 1419 CONECT 1421 1419 1422 1440 CONECT 1422 1421 1423 1438 1439 CONECT 1423 1422 1424 1425 CONECT 1424 1423 CONECT 1425 1423 1426 1437 CONECT 1426 1425 1427 1432 1436 CONECT 1427 1426 1428 1429 CONECT 1428 1427 CONECT 1429 1427 1430 1431 CONECT 1430 1429 CONECT 1431 1429 CONECT 1432 1426 1433 1434 1435 CONECT 1433 1432 CONECT 1434 1432 CONECT 1435 1432 CONECT 1436 1426 CONECT 1437 1425 CONECT 1438 1422 CONECT 1439 1422 CONECT 1440 1421 CONECT 1441 1418 1442 1453 1454 CONECT 1442 1441 1443 1447 CONECT 1443 1442 1444 1452 CONECT 1444 1443 1445 1451 CONECT 1445 1444 1446 1450 CONECT 1446 1445 1447 1449 CONECT 1447 1442 1446 1448 CONECT 1448 1447 CONECT 1449 1446 CONECT 1450 1445 CONECT 1451 1444 CONECT 1452 1443 CONECT 1453 1441 CONECT 1454 1441 CONECT 1455 1418 CONECT 1456 1417 CONECT 1457 1414 1458 1465 1469 CONECT 1458 1457 1459 1463 1464 CONECT 1459 1458 1460 1461 1462 CONECT 1460 1459 CONECT 1461 1459 CONECT 1462 1459 CONECT 1463 1458 CONECT 1464 1458 CONECT 1465 1457 1466 1467 1468 CONECT 1466 1465 CONECT 1467 1465 CONECT 1468 1465 CONECT 1469 1457 CONECT 1470 1414 CONECT 1471 1413 CONECT 1472 1410 1473 1484 1485 CONECT 1473 1472 1474 1478 CONECT 1474 1473 1475 1483 CONECT 1475 1474 1476 1482 CONECT 1476 1475 1477 1481 CONECT 1477 1476 1478 1480 CONECT 1478 1473 1477 1479 CONECT 1479 1478 CONECT 1480 1477 CONECT 1481 1476 CONECT 1482 1475 CONECT 1483 1474 CONECT 1484 1472 CONECT 1485 1472 CONECT 1486 1410 CONECT 1487 1409 CONECT 1488 1406 1489 1495 1496 CONECT 1489 1488 1490 1493 1494 CONECT 1490 1405 1489 1491 1492 CONECT 1491 1490 CONECT 1492 1490 CONECT 1493 1489 CONECT 1494 1489 CONECT 1495 1488 CONECT 1496 1488 CONECT 1497 1406 CONECT 1498 1402 1499 1512 1513 CONECT 1499 1498 1500 1510 1511 CONECT 1500 1499 1501 1508 1509 CONECT 1501 1500 1502 1506 1507 CONECT 1502 1501 1503 1504 1505 CONECT 1503 1502 CONECT 1504 1502 CONECT 1505 1502 CONECT 1506 1501 CONECT 1507 1501 CONECT 1508 1500 CONECT 1509 1500 CONECT 1510 1499 CONECT 1511 1499 CONECT 1512 1498 CONECT 1513 1498 CONECT 1514 1402 CONECT 1515 1401 CONECT 1516 1398 1517 1525 1526 CONECT 1517 1516 1518 1523 1524 CONECT 1518 1517 1519 CONECT 1519 1518 1520 1521 1522 CONECT 1520 1519 CONECT 1521 1519 CONECT 1522 1519 CONECT 1523 1517 CONECT 1524 1517 CONECT 1525 1516 CONECT 1526 1516 CONECT 1527 1398 CONECT 1528 1397 CONECT 1529 1394 1530 1543 1544 CONECT 1530 1529 1531 1541 1542 CONECT 1531 1530 1532 1539 1540 CONECT 1532 1531 1533 1537 1538 CONECT 1533 1532 1534 1535 1536 CONECT 1534 1533 CONECT 1535 1533 CONECT 1536 1533 CONECT 1537 1532 CONECT 1538 1532 CONECT 1539 1531 CONECT 1540 1531 CONECT 1541 1530 CONECT 1542 1530 CONECT 1543 1529 CONECT 1544 1529 CONECT 1545 1394 CONECT 1546 1393 CONECT 1547 1390 1548 1554 1555 CONECT 1548 1547 1549 1552 1553 CONECT 1549 1389 1548 1550 1551 CONECT 1550 1549 CONECT 1551 1549 CONECT 1552 1548 CONECT 1553 1548 CONECT 1554 1547 CONECT 1555 1547 CONECT 1556 1390 CONECT 1557 1386 1558 1563 1564 CONECT 1558 1557 1559 1560 CONECT 1559 1558 CONECT 1560 1558 1561 1562 CONECT 1561 1560 CONECT 1562 1560 CONECT 1563 1557 CONECT 1564 1557 CONECT 1565 1386 CONECT 1566 1385 CONECT 1567 1382 1568 1583 1584 CONECT 1568 1567 1569 1572 CONECT 1569 1568 1570 1582 CONECT 1570 1569 1571 1581 CONECT 1571 1570 1572 1576 CONECT 1572 1568 1571 1573 CONECT 1573 1572 1574 1580 CONECT 1574 1573 1575 1579 CONECT 1575 1574 1576 1578 CONECT 1576 1571 1575 1577 CONECT 1577 1576 CONECT 1578 1575 CONECT 1579 1574 CONECT 1580 1573 CONECT 1581 1570 CONECT 1582 1569 CONECT 1583 1567 CONECT 1584 1567 CONECT 1585 1382 CONECT 1586 1381 CONECT 1587 1378 1588 1600 1601 CONECT 1588 1587 1589 1593 CONECT 1589 1588 1590 1599 CONECT 1590 1589 1591 1598 CONECT 1591 1590 1592 1596 CONECT 1592 1591 1593 1595 CONECT 1593 1588 1592 1594 CONECT 1594 1593 CONECT 1595 1592 CONECT 1596 1591 1597 CONECT 1597 1596 CONECT 1598 1590 CONECT 1599 1589 CONECT 1600 1587 CONECT 1601 1587 CONECT 1602 1378 CONECT 1603 1377 CONECT 1604 1374 1605 1620 1621 CONECT 1605 1604 1606 1618 1619 CONECT 1606 1605 1607 1616 1617 CONECT 1607 1606 1608 1615 CONECT 1608 1607 1609 1612 CONECT 1609 1608 1610 1611 CONECT 1610 1609 CONECT 1611 1609 CONECT 1612 1608 1613 1614 CONECT 1613 1612 CONECT 1614 1612 CONECT 1615 1607 CONECT 1616 1606 CONECT 1617 1606 CONECT 1618 1605 CONECT 1619 1605 CONECT 1620 1604 CONECT 1621 1604 CONECT 1622 1374 CONECT 1623 1373 CONECT 1624 1370 1625 1627 1631 CONECT 1625 1624 1626 CONECT 1626 1625 CONECT 1627 1624 1628 1629 1630 CONECT 1628 1627 CONECT 1629 1627 CONECT 1630 1627 CONECT 1631 1624 CONECT 1632 1370 CONECT 1633 1369 CONECT 1634 1369 CONECT 1635 1369 MASTER 0 0 0 0 0 0 0 0 1634 1 271 12 END
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Entry Information
PDB ID
4odl
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
FKBP peptidyl-prolyl isomerase SlyD
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
2.92(Å)
Affinity (Kd/Ki/IC50)
Kd=0.113uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) BMC Biol. Vol. 14: pp. 82-82
Ligand Properties
Formula
C
9
0
H
1
3
5
N
2
3
O
1
8
S
Molecular Weight
1859.240
Exact Mass
1858.010
No. of atoms
267
No. of bonds
273
Polar Surface Area
706.48
LOGP Value
1.68 (
Computed with XLOGP3
)
0.07 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 20
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 71
No. of Nitrogen and Oxygen Atoms: 41
No. of Rings: 7
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N)C)Cc1ccccc1)[C@H](CC)C)Cc1ccccc1)CCCC[NH3+])CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)[NH3+])CCC[NH+]=C(N)N)Cc1ccc(cc1)O)CC(=O)N
InChI String
InChI=1S/C90H131N23O18S/c1-6-51(2)75(87(129)109-65(44-54-22-9-7-10-23-54)77(119)100-50-73(117)101-52(3)76(95)118)111-83(125)67(45-55-24-11-8-12-25-55)108-85(127)71-32-20-41-112(71)88(130)64(29-16-18-39-92)105-80(122)63(37-43-132-5)102-78(120)61(28-15-17-38-91)103-84(126)70-31-21-42-113(70)89(131)69(48-72(93)116)110-82(124)68(47-57-49-99-60-27-14-13-26-59(57)60)107-81(123)66(46-56-33-35-58(115)36-34-56)106-79(121)62(30-19-40-98-90(96)97)104-86(128)74(94)53(4)114/h7-14,22-27,33-36,49,51-53,61-71,74-75,99,114-115H,6,15-21,28-32,37-48,50,91-92,94H2,1-5H3,(H2,93,116)(H2,95,118)(H,100,119)(H,101,117)(H,102,120)(H,103,126)(H,104,128)(H,105,122)(H,106,121)(H,107,123)(H,108,127)(H,109,129)(H,110,124)(H,111,125)(H4,96,97,98)/p+4/t51-,52-,53+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,74-,75-/m0/s1
Links to External Databases
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P0A7V0
Q5SLE7
Entrez Gene ID
NCBI Entrez Gene ID:
61734010
947874
3168679
ASD
Information of known allosteric effects of PDB entries
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