Browse entries in the PDBbind-CN Database
HEADER 4P1U_COMPLEX COMPND 4P1U_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 102 SER SER PHE SER PHE GLY GLY PHE THR PHE LYS ARG THR SEQRES 2 A 102 SER GLY SER SER ILE LYS ARG GLU GLU GLU VAL LEU THR SEQRES 3 A 102 GLY ASN LEU GLN THR LEU LYS ILE ARG VAL HIS GLU GLY SEQRES 4 A 102 TYR GLU GLU PHE THR MET VAL GLY LYS ARG ALA THR ALA SEQRES 5 A 102 ILE LEU ARG LYS ALA THR ARG ARG LEU VAL GLN LEU ILE SEQRES 6 A 102 VAL SER GLY LYS ASP GLU GLN SER ILE ALA GLU ALA ILE SEQRES 7 A 102 ILE VAL ALA MET VAL PHE SER GLN GLU ASP CYS MET ILE SEQRES 8 A 102 LYS ALA VAL ARG GLY ASP LEU ASN PHE VAL ASN SEQRES 1 A 56 LEU ASN PRO MET HIS GLN LEU LEU ARG HIS PHE GLN LYS SEQRES 2 A 56 ASP ALA LYS VAL LEU PHE GLN ASN TRP GLY ILE GLU HIS SEQRES 3 A 56 ILE ASP ASN VAL MET GLY MET VAL GLY VAL LEU PRO ASP SEQRES 4 A 56 MET THR PRO SER THR GLU MET SER MET ARG GLY ILE ARG SEQRES 5 A 56 VAL SER LYS MET HET UNN A 206 47 ATOM 1 N SER A 21 -58.676 1.942 3.933 1.00 81.60 N ATOM 2 CA SER A 21 -57.616 1.107 3.366 1.00 78.91 C ATOM 3 C SER A 21 -56.218 1.422 3.968 1.00 78.30 C ATOM 4 O SER A 21 -55.172 1.287 3.308 1.00 76.00 O ATOM 5 CB SER A 21 -57.619 1.187 1.840 1.00 85.18 C ATOM 6 OG SER A 21 -58.723 0.488 1.286 1.00100.13 O ATOM 7 HG SER A 21 -58.696 0.559 0.299 1.00 0.00 H ATOM 8 HN3 SER A 21 -58.465 2.943 3.745 1.00 0.00 H ATOM 9 HN2 SER A 21 -58.728 1.785 4.960 1.00 0.00 H ATOM 10 HN1 SER A 21 -59.585 1.690 3.496 1.00 0.00 H ATOM 11 N SER A 22 -56.217 1.796 5.251 1.00 72.48 N ATOM 12 CA SER A 22 -54.993 2.104 5.975 1.00 68.43 C ATOM 13 C SER A 22 -54.570 0.965 6.873 1.00 67.14 C ATOM 14 O SER A 22 -55.415 0.253 7.426 1.00 68.70 O ATOM 15 CB SER A 22 -55.134 3.400 6.762 1.00 71.87 C ATOM 16 OG SER A 22 -55.458 4.443 5.859 1.00 82.75 O ATOM 17 HG SER A 22 -55.553 5.293 6.358 1.00 0.00 H ATOM 18 H SER A 22 -57.126 1.870 5.751 1.00 0.00 H ATOM 19 N PHE A 23 -53.247 0.796 7.013 1.00 56.48 N ATOM 20 CA PHE A 23 -52.635 -0.242 7.838 1.00 51.58 C ATOM 21 C PHE A 23 -51.388 0.277 8.546 1.00 51.63 C ATOM 22 O PHE A 23 -50.914 1.377 8.264 1.00 51.14 O ATOM 23 CB PHE A 23 -52.354 -1.515 7.015 1.00 50.85 C ATOM 24 CG PHE A 23 -51.432 -1.325 5.838 1.00 49.33 C ATOM 25 CD1 PHE A 23 -51.933 -0.948 4.595 1.00 52.12 C ATOM 26 CD2 PHE A 23 -50.061 -1.535 5.966 1.00 47.38 C ATOM 27 CE1 PHE A 23 -51.079 -0.778 3.502 1.00 51.69 C ATOM 28 CE2 PHE A 23 -49.208 -1.363 4.877 1.00 48.44 C ATOM 29 CZ PHE A 23 -49.723 -1.005 3.645 1.00 47.86 C ATOM 30 H PHE A 23 -52.616 1.446 6.501 1.00 0.00 H ATOM 31 N SER A 24 -50.892 -0.506 9.495 1.00 46.43 N ATOM 32 CA SER A 24 -49.722 -0.183 10.295 1.00 43.86 C ATOM 33 C SER A 24 -48.557 -1.173 10.026 1.00 43.45 C ATOM 34 O SER A 24 -48.778 -2.375 9.840 1.00 41.76 O ATOM 35 CB SER A 24 -50.095 -0.174 11.772 1.00 47.89 C ATOM 36 OG SER A 24 -49.006 0.287 12.555 1.00 62.26 O ATOM 37 HG SER A 24 -48.767 1.207 12.277 1.00 0.00 H ATOM 38 H SER A 24 -51.372 -1.410 9.679 1.00 0.00 H ATOM 39 N PHE A 25 -47.333 -0.643 9.963 1.00 37.92 N ATOM 40 CA PHE A 25 -46.104 -1.416 9.771 1.00 35.96 C ATOM 41 C PHE A 25 -44.948 -0.609 10.320 1.00 38.48 C ATOM 42 O PHE A 25 -44.766 0.539 9.920 1.00 39.05 O ATOM 43 CB PHE A 25 -45.869 -1.782 8.284 1.00 36.97 C ATOM 44 CG PHE A 25 -44.696 -2.704 8.041 1.00 36.52 C ATOM 45 CD1 PHE A 25 -44.513 -3.850 8.821 1.00 38.48 C ATOM 46 CD2 PHE A 25 -43.783 -2.441 7.021 1.00 37.66 C ATOM 47 CE1 PHE A 25 -43.432 -4.708 8.594 1.00 39.18 C ATOM 48 CE2 PHE A 25 -42.711 -3.322 6.768 1.00 39.71 C ATOM 49 CZ PHE A 25 -42.547 -4.451 7.549 1.00 37.94 C ATOM 50 H PHE A 25 -47.247 0.389 10.057 1.00 0.00 H ATOM 51 N GLY A 26 -44.231 -1.183 11.275 1.00 33.56 N ATOM 52 CA GLY A 26 -43.091 -0.538 11.921 1.00 32.90 C ATOM 53 C GLY A 26 -43.328 0.823 12.553 1.00 36.23 C ATOM 54 O GLY A 26 -42.458 1.688 12.472 1.00 37.34 O ATOM 55 H GLY A 26 -44.493 -2.142 11.580 1.00 0.00 H ATOM 56 N GLY A 27 -44.492 1.019 13.164 1.00 32.57 N ATOM 57 CA GLY A 27 -44.853 2.269 13.834 1.00 32.77 C ATOM 58 C GLY A 27 -45.404 3.363 12.938 1.00 38.22 C ATOM 59 O GLY A 27 -45.686 4.470 13.416 1.00 38.15 O ATOM 60 H GLY A 27 -45.184 0.242 13.166 1.00 0.00 H ATOM 61 N PHE A 28 -45.569 3.046 11.658 1.00 34.59 N ATOM 62 CA PHE A 28 -46.021 3.997 10.653 1.00 33.89 C ATOM 63 C PHE A 28 -47.391 3.626 10.115 1.00 39.53 C ATOM 64 O PHE A 28 -47.631 2.480 9.762 1.00 39.61 O ATOM 65 CB PHE A 28 -45.052 4.024 9.473 1.00 33.89 C ATOM 66 CG PHE A 28 -43.765 4.728 9.756 1.00 33.46 C ATOM 67 CD1 PHE A 28 -42.679 4.035 10.246 1.00 33.45 C ATOM 68 CD2 PHE A 28 -43.639 6.079 9.516 1.00 35.24 C ATOM 69 CE1 PHE A 28 -41.491 4.679 10.503 1.00 34.31 C ATOM 70 CE2 PHE A 28 -42.453 6.731 9.772 1.00 37.74 C ATOM 71 CZ PHE A 28 -41.377 6.030 10.267 1.00 34.53 C ATOM 72 H PHE A 28 -45.365 2.071 11.360 1.00 0.00 H ATOM 73 N THR A 29 -48.280 4.606 10.023 1.00 36.93 N ATOM 74 CA THR A 29 -49.558 4.394 9.366 1.00 38.41 C ATOM 75 C THR A 29 -49.370 4.487 7.858 1.00 43.24 C ATOM 76 O THR A 29 -48.754 5.422 7.360 1.00 42.97 O ATOM 77 CB THR A 29 -50.608 5.418 9.822 1.00 45.38 C ATOM 78 OG1 THR A 29 -50.893 5.222 11.209 1.00 49.21 O ATOM 79 CG2 THR A 29 -51.887 5.255 9.031 1.00 39.79 C ATOM 80 HG1 THR A 29 -51.570 5.882 11.502 1.00 0.00 H ATOM 81 H THR A 29 -48.059 5.539 10.427 1.00 0.00 H ATOM 82 N PHE A 30 -49.906 3.515 7.133 1.00 39.20 N ATOM 83 CA PHE A 30 -49.766 3.480 5.686 1.00 39.17 C ATOM 84 C PHE A 30 -51.121 3.732 5.043 1.00 49.17 C ATOM 85 O PHE A 30 -52.095 3.055 5.352 1.00 50.07 O ATOM 86 CB PHE A 30 -49.261 2.107 5.233 1.00 37.55 C ATOM 87 CG PHE A 30 -47.769 1.939 5.298 1.00 34.26 C ATOM 88 CD1 PHE A 30 -47.130 1.750 6.509 1.00 33.10 C ATOM 89 CD2 PHE A 30 -47.013 1.931 4.143 1.00 33.95 C ATOM 90 CE1 PHE A 30 -45.763 1.581 6.567 1.00 30.76 C ATOM 91 CE2 PHE A 30 -45.645 1.761 4.194 1.00 33.44 C ATOM 92 CZ PHE A 30 -45.020 1.585 5.408 1.00 28.92 C ATOM 93 H PHE A 30 -50.439 2.760 7.610 1.00 0.00 H ATOM 94 N LYS A 31 -51.183 4.710 4.151 1.00 48.74 N ATOM 95 CA LYS A 31 -52.405 4.978 3.410 1.00 51.75 C ATOM 96 C LYS A 31 -52.113 4.968 1.924 1.00 58.01 C ATOM 97 O LYS A 31 -51.203 5.657 1.470 1.00 58.87 O ATOM 98 CB LYS A 31 -52.990 6.331 3.812 1.00 55.46 C ATOM 99 CG LYS A 31 -52.940 6.611 5.305 1.00 76.08 C ATOM 100 CD LYS A 31 -53.512 7.979 5.644 1.00 82.99 C ATOM 101 CE LYS A 31 -53.485 8.250 7.140 1.00 78.70 C ATOM 102 NZ LYS A 31 -54.023 9.597 7.462 1.00 68.79 N ATOM 103 HZ1 LYS A 31 -53.448 10.321 6.986 1.00 0.00 H ATOM 104 HZ2 LYS A 31 -55.008 9.663 7.134 1.00 0.00 H ATOM 105 HZ3 LYS A 31 -53.989 9.746 8.491 1.00 0.00 H ATOM 106 H LYS A 31 -50.342 5.297 3.978 1.00 0.00 H ATOM 107 N ARG A 32 -52.884 4.207 1.155 1.00 53.95 N ATOM 108 CA ARG A 32 -52.661 4.198 -0.282 1.00 53.86 C ATOM 109 C ARG A 32 -53.235 5.441 -0.953 1.00 61.59 C ATOM 110 O ARG A 32 -54.381 5.822 -0.738 1.00 62.99 O ATOM 111 CB ARG A 32 -53.182 2.921 -0.946 1.00 50.31 C ATOM 112 CG ARG A 32 -52.590 2.699 -2.331 1.00 50.55 C ATOM 113 CD ARG A 32 -52.845 1.301 -2.864 1.00 50.79 C ATOM 114 NE ARG A 32 -54.182 0.821 -2.540 1.00 61.05 N ATOM 115 CZ ARG A 32 -54.617 -0.406 -2.800 1.00 72.79 C ATOM 116 NH1 ARG A 32 -53.821 -1.282 -3.390 1.00 60.23 N ATOM 117 NH2 ARG A 32 -55.846 -0.757 -2.467 1.00 58.64 N ATOM 118 HE ARG A 32 -54.837 1.482 -2.075 1.00 0.00 H ATOM 119 HH12 ARG A 32 -54.164 -2.243 -3.593 1.00 0.00 H ATOM 120 HH11 ARG A 32 -52.852 -1.010 -3.651 1.00 0.00 H ATOM 121 HH22 ARG A 32 -56.186 -1.719 -2.671 1.00 0.00 H ATOM 122 HH21 ARG A 32 -56.474 -0.072 -2.001 1.00 0.00 H ATOM 123 H ARG A 32 -53.637 3.625 1.575 1.00 0.00 H ATOM 124 N THR A 33 -52.398 6.051 -1.776 1.00 59.41 N ATOM 125 CA THR A 33 -52.709 7.262 -2.525 1.00 62.38 C ATOM 126 C THR A 33 -53.261 6.876 -3.906 1.00 69.50 C ATOM 127 O THR A 33 -54.387 7.247 -4.231 1.00 73.85 O ATOM 128 CB THR A 33 -51.431 8.127 -2.562 1.00 64.38 C ATOM 129 OG1 THR A 33 -51.321 8.821 -1.321 1.00 59.77 O ATOM 130 CG2 THR A 33 -51.379 9.096 -3.739 1.00 66.15 C ATOM 131 HG1 THR A 33 -50.505 9.381 -1.329 1.00 0.00 H ATOM 132 H THR A 33 -51.452 5.637 -1.897 1.00 0.00 H ATOM 133 N SER A 34 -52.456 6.136 -4.700 1.00 63.81 N ATOM 134 CA SER A 34 -52.807 5.680 -6.044 1.00 65.44 C ATOM 135 C SER A 34 -52.234 4.291 -6.300 1.00 66.65 C ATOM 136 O SER A 34 -51.361 3.835 -5.558 1.00 62.79 O ATOM 137 CB SER A 34 -52.321 6.670 -7.100 1.00 70.73 C ATOM 138 OG SER A 34 -50.932 6.932 -7.003 1.00 75.74 O ATOM 139 HG SER A 34 -50.731 7.314 -6.112 1.00 0.00 H ATOM 140 H SER A 34 -51.521 5.872 -4.329 1.00 0.00 H ATOM 141 N GLY A 35 -52.747 3.632 -7.330 1.00 65.17 N ATOM 142 CA GLY A 35 -52.337 2.295 -7.720 1.00 62.77 C ATOM 143 C GLY A 35 -53.133 1.214 -7.026 1.00 65.24 C ATOM 144 O GLY A 35 -54.090 1.496 -6.294 1.00 64.31 O ATOM 145 H GLY A 35 -53.487 4.100 -7.891 1.00 0.00 H ATOM 146 N SER A 36 -52.724 -0.041 -7.267 1.00 61.88 N ATOM 147 CA SER A 36 -53.351 -1.258 -6.758 1.00 60.69 C ATOM 148 C SER A 36 -52.368 -2.394 -6.847 1.00 61.88 C ATOM 149 O SER A 36 -51.385 -2.325 -7.592 1.00 61.01 O ATOM 150 CB SER A 36 -54.578 -1.615 -7.596 1.00 67.20 C ATOM 151 OG SER A 36 -54.216 -1.844 -8.948 1.00 76.04 O ATOM 152 HG SER A 36 -55.025 -2.073 -9.471 1.00 0.00 H ATOM 153 H SER A 36 -51.885 -0.158 -7.871 1.00 0.00 H ATOM 154 N SER A 37 -52.658 -3.468 -6.109 1.00 57.11 N ATOM 155 CA SER A 37 -51.846 -4.665 -6.077 1.00 53.39 C ATOM 156 C SER A 37 -52.665 -5.887 -5.702 1.00 58.36 C ATOM 157 O SER A 37 -53.683 -5.788 -5.002 1.00 59.38 O ATOM 158 CB SER A 37 -50.672 -4.498 -5.116 1.00 52.53 C ATOM 159 OG SER A 37 -51.063 -4.535 -3.754 1.00 58.82 O ATOM 160 HG SER A 37 -51.705 -3.803 -3.576 1.00 0.00 H ATOM 161 H SER A 37 -53.517 -3.443 -5.523 1.00 0.00 H ATOM 162 N ILE A 38 -52.213 -7.035 -6.206 1.00 54.37 N ATOM 163 CA ILE A 38 -52.699 -8.378 -5.913 1.00 54.19 C ATOM 164 C ILE A 38 -51.575 -9.041 -5.116 1.00 54.07 C ATOM 165 O ILE A 38 -50.436 -8.588 -5.183 1.00 52.04 O ATOM 166 CB ILE A 38 -53.097 -9.183 -7.191 1.00 59.70 C ATOM 167 CG1 ILE A 38 -51.991 -9.177 -8.273 1.00 60.00 C ATOM 168 CG2 ILE A 38 -54.421 -8.681 -7.759 1.00 62.80 C ATOM 169 CD1 ILE A 38 -51.833 -10.466 -9.018 1.00 69.72 C ATOM 170 H ILE A 38 -51.427 -6.965 -6.883 1.00 0.00 H ATOM 171 N LYS A 39 -51.886 -10.053 -4.318 1.00 51.00 N ATOM 172 CA LYS A 39 -50.877 -10.764 -3.528 1.00 47.95 C ATOM 173 C LYS A 39 -50.511 -12.088 -4.171 1.00 52.65 C ATOM 174 O LYS A 39 -51.374 -12.803 -4.676 1.00 54.27 O ATOM 175 CB LYS A 39 -51.386 -11.063 -2.115 1.00 49.86 C ATOM 176 CG LYS A 39 -51.649 -9.861 -1.240 1.00 47.56 C ATOM 177 CD LYS A 39 -53.108 -9.801 -0.772 1.00 62.15 C ATOM 178 CE LYS A 39 -53.504 -10.848 0.252 1.00 77.20 C ATOM 179 NZ LYS A 39 -52.623 -10.837 1.453 1.00 83.64 N ATOM 180 HZ1 LYS A 39 -51.642 -11.027 1.164 1.00 0.00 H ATOM 181 HZ2 LYS A 39 -52.676 -9.905 1.912 1.00 0.00 H ATOM 182 HZ3 LYS A 39 -52.938 -11.571 2.119 1.00 0.00 H ATOM 183 H LYS A 39 -52.880 -10.352 -4.250 1.00 0.00 H ATOM 184 N ARG A 40 -49.236 -12.434 -4.115 1.00 49.27 N ATOM 185 CA ARG A 40 -48.711 -13.712 -4.582 1.00 48.87 C ATOM 186 C ARG A 40 -47.782 -14.225 -3.482 1.00 53.04 C ATOM 187 O ARG A 40 -46.811 -13.546 -3.144 1.00 51.79 O ATOM 188 CB ARG A 40 -47.960 -13.579 -5.935 1.00 48.23 C ATOM 189 CG ARG A 40 -47.701 -14.937 -6.625 1.00 58.08 C ATOM 190 CD ARG A 40 -46.902 -14.879 -7.929 1.00 63.90 C ATOM 191 NE ARG A 40 -46.354 -16.193 -8.297 1.00 68.87 N ATOM 192 CZ ARG A 40 -45.973 -16.542 -9.527 1.00 88.83 C ATOM 193 NH1 ARG A 40 -46.069 -15.679 -10.531 1.00 80.46 N ATOM 194 NH2 ARG A 40 -45.496 -17.761 -9.763 1.00 69.70 N ATOM 195 HE ARG A 40 -46.256 -16.903 -7.543 1.00 0.00 H ATOM 196 HH12 ARG A 40 -45.770 -15.958 -11.487 1.00 0.00 H ATOM 197 HH11 ARG A 40 -46.443 -14.724 -10.361 1.00 0.00 H ATOM 198 HH22 ARG A 40 -45.201 -18.027 -10.724 1.00 0.00 H ATOM 199 HH21 ARG A 40 -45.418 -18.448 -8.986 1.00 0.00 H ATOM 200 H ARG A 40 -48.564 -11.750 -3.712 1.00 0.00 H ATOM 201 N GLU A 41 -48.109 -15.390 -2.891 1.00 51.29 N ATOM 202 CA GLU A 41 -47.264 -16.058 -1.895 1.00 50.38 C ATOM 203 C GLU A 41 -46.066 -16.559 -2.702 1.00 53.59 C ATOM 204 O GLU A 41 -46.247 -17.260 -3.708 1.00 55.00 O ATOM 205 CB GLU A 41 -48.013 -17.207 -1.199 1.00 52.87 C ATOM 206 H GLU A 41 -49.009 -15.840 -3.155 1.00 0.00 H ATOM 207 N GLU A 42 -44.859 -16.102 -2.338 1.00 47.69 N ATOM 208 CA GLU A 42 -43.647 -16.374 -3.110 1.00 46.50 C ATOM 209 C GLU A 42 -42.426 -16.683 -2.260 1.00 48.74 C ATOM 210 O GLU A 42 -42.293 -16.172 -1.149 1.00 47.39 O ATOM 211 CB GLU A 42 -43.345 -15.131 -3.917 1.00 47.96 C ATOM 212 CG GLU A 42 -42.971 -15.371 -5.357 1.00 67.15 C ATOM 213 CD GLU A 42 -42.591 -14.058 -6.007 1.00 84.07 C ATOM 214 OE1 GLU A 42 -41.544 -13.490 -5.614 1.00 57.38 O ATOM 215 OE2 GLU A 42 -43.392 -13.546 -6.824 1.00 76.39 O ATOM 216 H GLU A 42 -44.782 -15.531 -1.472 1.00 0.00 H ATOM 217 N GLU A 43 -41.495 -17.465 -2.831 1.00 45.19 N ATOM 218 CA GLU A 43 -40.245 -17.845 -2.192 1.00 43.84 C ATOM 219 C GLU A 43 -39.108 -16.916 -2.599 1.00 46.96 C ATOM 220 O GLU A 43 -38.859 -16.700 -3.786 1.00 46.42 O ATOM 221 CB GLU A 43 -39.890 -19.324 -2.434 1.00 45.64 C ATOM 222 CG GLU A 43 -40.827 -20.290 -1.725 1.00 58.39 C ATOM 223 CD GLU A 43 -40.408 -21.747 -1.664 1.00 87.39 C ATOM 224 OE1 GLU A 43 -39.409 -22.117 -2.322 1.00 85.79 O ATOM 225 OE2 GLU A 43 -41.077 -22.520 -0.942 1.00 89.47 O ATOM 226 H GLU A 43 -41.680 -17.821 -3.790 1.00 0.00 H ATOM 227 N VAL A 44 -38.432 -16.353 -1.587 1.00 41.78 N ATOM 228 CA VAL A 44 -37.296 -15.453 -1.752 1.00 40.23 C ATOM 229 C VAL A 44 -36.075 -16.087 -1.094 1.00 42.99 C ATOM 230 O VAL A 44 -36.228 -16.858 -0.145 1.00 43.74 O ATOM 231 CB VAL A 44 -37.582 -13.995 -1.253 1.00 41.73 C ATOM 232 CG1 VAL A 44 -38.711 -13.351 -2.054 1.00 41.19 C ATOM 233 CG2 VAL A 44 -37.885 -13.955 0.240 1.00 40.45 C ATOM 234 H VAL A 44 -38.739 -16.573 -0.618 1.00 0.00 H ATOM 235 N LEU A 45 -34.876 -15.773 -1.600 1.00 38.43 N ATOM 236 CA LEU A 45 -33.609 -16.312 -1.102 1.00 38.54 C ATOM 237 C LEU A 45 -32.790 -15.193 -0.436 1.00 41.91 C ATOM 238 O LEU A 45 -32.534 -14.165 -1.069 1.00 42.32 O ATOM 239 CB LEU A 45 -32.847 -16.927 -2.303 1.00 39.36 C ATOM 240 CG LEU A 45 -32.146 -18.283 -2.150 1.00 44.54 C ATOM 241 CD1 LEU A 45 -33.007 -19.303 -1.432 1.00 44.42 C ATOM 242 CD2 LEU A 45 -31.796 -18.843 -3.502 1.00 46.23 C ATOM 243 H LEU A 45 -34.842 -15.105 -2.396 1.00 0.00 H ATOM 244 N THR A 46 -32.394 -15.373 0.837 1.00 36.69 N ATOM 245 CA THR A 46 -31.584 -14.365 1.542 1.00 35.98 C ATOM 246 C THR A 46 -30.110 -14.416 1.054 1.00 41.07 C ATOM 247 O THR A 46 -29.733 -15.340 0.335 1.00 39.38 O ATOM 248 CB THR A 46 -31.618 -14.591 3.086 1.00 39.85 C ATOM 249 OG1 THR A 46 -30.959 -15.814 3.445 1.00 44.06 O ATOM 250 CG2 THR A 46 -33.003 -14.534 3.677 1.00 34.05 C ATOM 251 HG1 THR A 46 -30.996 -15.931 4.427 1.00 0.00 H ATOM 252 H THR A 46 -32.666 -16.244 1.335 1.00 0.00 H ATOM 253 N GLY A 47 -29.287 -13.467 1.527 1.00 39.35 N ATOM 254 CA GLY A 47 -27.846 -13.441 1.308 1.00 40.94 C ATOM 255 C GLY A 47 -27.171 -14.637 1.965 1.00 46.95 C ATOM 256 O GLY A 47 -26.051 -15.007 1.586 1.00 48.28 O ATOM 257 H GLY A 47 -29.706 -12.698 2.088 1.00 0.00 H ATOM 258 N ASN A 48 -27.879 -15.281 2.934 1.00 42.30 N ATOM 259 CA ASN A 48 -27.461 -16.523 3.585 1.00 43.01 C ATOM 260 C ASN A 48 -28.010 -17.760 2.854 1.00 43.77 C ATOM 261 O ASN A 48 -27.861 -18.869 3.376 1.00 43.16 O ATOM 262 CB ASN A 48 -27.907 -16.557 5.053 1.00 45.06 C ATOM 263 CG ASN A 48 -26.854 -16.109 5.996 1.00 73.66 C ATOM 264 OD1 ASN A 48 -25.670 -16.371 5.803 1.00 68.88 O ATOM 265 ND2 ASN A 48 -27.260 -15.382 7.023 1.00 74.99 N ATOM 266 HD22 ASN A 48 -28.273 -15.183 7.151 1.00 0.00 H ATOM 267 HD21 ASN A 48 -26.567 -15.010 7.703 1.00 0.00 H ATOM 268 H ASN A 48 -28.782 -14.860 3.233 1.00 0.00 H ATOM 269 N LEU A 49 -28.625 -17.574 1.649 1.00 39.45 N ATOM 270 CA LEU A 49 -29.256 -18.606 0.808 1.00 38.64 C ATOM 271 C LEU A 49 -30.374 -19.386 1.558 1.00 40.80 C ATOM 272 O LEU A 49 -30.542 -20.587 1.387 1.00 39.49 O ATOM 273 CB LEU A 49 -28.210 -19.559 0.194 1.00 41.36 C ATOM 274 CG LEU A 49 -27.366 -19.076 -0.986 1.00 47.68 C ATOM 275 CD1 LEU A 49 -26.336 -20.115 -1.348 1.00 49.07 C ATOM 276 CD2 LEU A 49 -28.230 -18.843 -2.233 1.00 51.91 C ATOM 277 H LEU A 49 -28.651 -16.600 1.286 1.00 0.00 H ATOM 278 N GLN A 50 -31.121 -18.690 2.404 1.00 38.71 N ATOM 279 CA GLN A 50 -32.231 -19.259 3.162 1.00 39.34 C ATOM 280 C GLN A 50 -33.525 -18.947 2.410 1.00 43.52 C ATOM 281 O GLN A 50 -33.647 -17.864 1.821 1.00 42.38 O ATOM 282 CB GLN A 50 -32.271 -18.615 4.558 1.00 40.83 C ATOM 283 CG GLN A 50 -33.007 -19.419 5.610 1.00 60.32 C ATOM 284 CD GLN A 50 -33.679 -18.568 6.661 1.00 73.16 C ATOM 285 OE1 GLN A 50 -33.175 -17.526 7.104 1.00 64.29 O ATOM 286 NE2 GLN A 50 -34.831 -19.028 7.118 1.00 66.14 N ATOM 287 HE22 GLN A 50 -35.232 -19.905 6.729 1.00 0.00 H ATOM 288 HE21 GLN A 50 -35.336 -18.513 7.867 1.00 0.00 H ATOM 289 H GLN A 50 -30.904 -17.681 2.535 1.00 0.00 H ATOM 290 N THR A 51 -34.494 -19.880 2.436 1.00 41.92 N ATOM 291 CA THR A 51 -35.796 -19.673 1.793 1.00 41.46 C ATOM 292 C THR A 51 -36.867 -19.100 2.758 1.00 46.47 C ATOM 293 O THR A 51 -37.182 -19.692 3.800 1.00 45.97 O ATOM 294 CB THR A 51 -36.287 -20.923 1.073 1.00 48.97 C ATOM 295 OG1 THR A 51 -35.264 -21.384 0.186 1.00 54.22 O ATOM 296 CG2 THR A 51 -37.563 -20.660 0.267 1.00 44.79 C ATOM 297 HG1 THR A 51 -34.449 -21.597 0.706 1.00 0.00 H ATOM 298 H THR A 51 -34.314 -20.778 2.929 1.00 0.00 H ATOM 299 N LEU A 52 -37.414 -17.937 2.386 1.00 43.07 N ATOM 300 CA LEU A 52 -38.513 -17.296 3.103 1.00 42.75 C ATOM 301 C LEU A 52 -39.687 -17.280 2.155 1.00 46.62 C ATOM 302 O LEU A 52 -39.514 -17.087 0.944 1.00 44.52 O ATOM 303 CB LEU A 52 -38.215 -15.838 3.468 1.00 42.31 C ATOM 304 CG LEU A 52 -37.020 -15.531 4.339 1.00 48.19 C ATOM 305 CD1 LEU A 52 -36.672 -14.049 4.216 1.00 48.44 C ATOM 306 CD2 LEU A 52 -37.303 -15.874 5.789 1.00 49.85 C ATOM 307 H LEU A 52 -37.036 -17.464 1.540 1.00 0.00 H ATOM 308 N LYS A 53 -40.883 -17.453 2.708 1.00 44.47 N ATOM 309 CA LYS A 53 -42.103 -17.343 1.946 1.00 44.71 C ATOM 310 C LYS A 53 -42.723 -16.023 2.391 1.00 46.84 C ATOM 311 O LYS A 53 -43.009 -15.864 3.569 1.00 47.70 O ATOM 312 CB LYS A 53 -43.027 -18.540 2.222 1.00 49.76 C ATOM 313 CG LYS A 53 -44.110 -18.755 1.151 1.00 69.71 C ATOM 314 CD LYS A 53 -44.736 -20.153 1.228 1.00 82.23 C ATOM 315 CE LYS A 53 -43.868 -21.226 0.600 1.00 94.69 C ATOM 316 NZ LYS A 53 -44.450 -22.587 0.757 1.00103.35 N ATOM 317 HZ1 LYS A 53 -44.551 -22.805 1.769 1.00 0.00 H ATOM 318 HZ2 LYS A 53 -45.383 -22.618 0.300 1.00 0.00 H ATOM 319 HZ3 LYS A 53 -43.821 -23.285 0.312 1.00 0.00 H ATOM 320 H LYS A 53 -40.941 -17.675 3.722 1.00 0.00 H ATOM 321 N ILE A 54 -42.850 -15.057 1.482 1.00 42.17 N ATOM 322 CA ILE A 54 -43.454 -13.744 1.756 1.00 41.47 C ATOM 323 C ILE A 54 -44.678 -13.535 0.845 1.00 44.48 C ATOM 324 O ILE A 54 -44.761 -14.158 -0.212 1.00 43.36 O ATOM 325 CB ILE A 54 -42.421 -12.554 1.650 1.00 43.61 C ATOM 326 CG1 ILE A 54 -41.910 -12.349 0.227 1.00 43.69 C ATOM 327 CG2 ILE A 54 -41.250 -12.691 2.649 1.00 44.55 C ATOM 328 CD1 ILE A 54 -41.091 -11.056 -0.013 1.00 48.96 C ATOM 329 H ILE A 54 -42.501 -15.243 0.520 1.00 0.00 H ATOM 330 N ARG A 55 -45.621 -12.664 1.253 1.00 41.60 N ATOM 331 CA ARG A 55 -46.782 -12.315 0.424 1.00 41.82 C ATOM 332 C ARG A 55 -46.432 -11.068 -0.407 1.00 41.66 C ATOM 333 O ARG A 55 -46.472 -9.938 0.079 1.00 39.53 O ATOM 334 CB ARG A 55 -48.036 -12.093 1.265 1.00 44.06 C ATOM 335 CG ARG A 55 -48.870 -13.342 1.406 1.00 61.87 C ATOM 336 CD ARG A 55 -50.201 -13.036 2.072 1.00 90.87 C ATOM 337 NE ARG A 55 -50.061 -12.369 3.373 1.00105.81 N ATOM 338 CZ ARG A 55 -49.823 -12.997 4.521 1.00127.58 C ATOM 339 NH1 ARG A 55 -49.677 -14.318 4.546 1.00120.69 N ATOM 340 NH2 ARG A 55 -49.720 -12.312 5.650 1.00116.56 N ATOM 341 HE ARG A 55 -50.154 -11.334 3.398 1.00 0.00 H ATOM 342 HH12 ARG A 55 -49.491 -14.804 5.447 1.00 0.00 H ATOM 343 HH11 ARG A 55 -49.749 -14.866 3.665 1.00 0.00 H ATOM 344 HH22 ARG A 55 -49.534 -12.809 6.545 1.00 0.00 H ATOM 345 HH21 ARG A 55 -49.825 -11.277 5.642 1.00 0.00 H ATOM 346 H ARG A 55 -45.523 -12.222 2.190 1.00 0.00 H ATOM 347 N VAL A 56 -45.978 -11.323 -1.626 1.00 37.06 N ATOM 348 CA VAL A 56 -45.565 -10.277 -2.538 1.00 35.48 C ATOM 349 C VAL A 56 -46.764 -9.529 -3.089 1.00 41.41 C ATOM 350 O VAL A 56 -47.791 -10.122 -3.402 1.00 41.77 O ATOM 351 CB VAL A 56 -44.721 -10.847 -3.689 1.00 37.49 C ATOM 352 CG1 VAL A 56 -44.442 -9.779 -4.732 1.00 37.20 C ATOM 353 CG2 VAL A 56 -43.422 -11.413 -3.148 1.00 35.39 C ATOM 354 H VAL A 56 -45.916 -12.313 -1.939 1.00 0.00 H ATOM 355 N HIS A 57 -46.619 -8.220 -3.223 1.00 38.47 N ATOM 356 CA HIS A 57 -47.679 -7.405 -3.774 1.00 39.90 C ATOM 357 C HIS A 57 -47.261 -6.941 -5.151 1.00 43.63 C ATOM 358 O HIS A 57 -46.190 -6.376 -5.330 1.00 42.77 O ATOM 359 CB HIS A 57 -47.978 -6.224 -2.858 1.00 40.24 C ATOM 360 CG HIS A 57 -48.771 -6.596 -1.648 1.00 43.23 C ATOM 361 ND1 HIS A 57 -50.130 -6.393 -1.559 1.00 47.21 N ATOM 362 CD2 HIS A 57 -48.400 -7.170 -0.482 1.00 43.49 C ATOM 363 CE1 HIS A 57 -50.560 -6.821 -0.387 1.00 46.06 C ATOM 364 NE2 HIS A 57 -49.530 -7.297 0.286 1.00 44.28 N ATOM 365 H HIS A 57 -45.729 -7.771 -2.927 1.00 0.00 H ATOM 366 N GLU A 58 -48.117 -7.198 -6.127 1.00 40.12 N ATOM 367 CA GLU A 58 -47.772 -6.957 -7.513 1.00 41.14 C ATOM 368 C GLU A 58 -48.521 -5.762 -8.060 1.00 46.47 C ATOM 369 O GLU A 58 -49.733 -5.658 -7.925 1.00 49.22 O ATOM 370 CB GLU A 58 -48.052 -8.201 -8.354 1.00 43.12 C ATOM 371 CG GLU A 58 -47.168 -9.384 -8.002 1.00 43.93 C ATOM 372 CD GLU A 58 -47.504 -10.623 -8.801 1.00 54.68 C ATOM 373 OE1 GLU A 58 -48.604 -10.679 -9.376 1.00 54.22 O ATOM 374 OE2 GLU A 58 -46.666 -11.541 -8.854 1.00 52.74 O ATOM 375 H GLU A 58 -49.056 -7.580 -5.894 1.00 0.00 H ATOM 376 N GLY A 59 -47.775 -4.861 -8.681 1.00 43.01 N ATOM 377 CA GLY A 59 -48.330 -3.637 -9.217 1.00 45.43 C ATOM 378 C GLY A 59 -47.702 -2.398 -8.618 1.00 50.67 C ATOM 379 O GLY A 59 -46.988 -2.461 -7.624 1.00 48.93 O ATOM 380 H GLY A 59 -46.756 -5.039 -8.787 1.00 0.00 H ATOM 381 N TYR A 60 -47.980 -1.261 -9.240 1.00 50.58 N ATOM 382 CA TYR A 60 -47.363 -0.001 -8.872 1.00 50.71 C ATOM 383 C TYR A 60 -48.295 0.741 -7.930 1.00 55.63 C ATOM 384 O TYR A 60 -49.466 0.939 -8.235 1.00 57.93 O ATOM 385 CB TYR A 60 -47.091 0.834 -10.117 1.00 54.63 C ATOM 386 CG TYR A 60 -46.494 2.191 -9.842 1.00 55.82 C ATOM 387 CD1 TYR A 60 -47.301 3.286 -9.584 1.00 58.99 C ATOM 388 CD2 TYR A 60 -45.123 2.379 -9.852 1.00 56.07 C ATOM 389 CE1 TYR A 60 -46.758 4.530 -9.338 1.00 60.58 C ATOM 390 CE2 TYR A 60 -44.570 3.618 -9.607 1.00 56.88 C ATOM 391 CZ TYR A 60 -45.392 4.689 -9.351 1.00 65.57 C ATOM 392 OH TYR A 60 -44.844 5.924 -9.106 1.00 66.71 O ATOM 393 HH TYR A 60 -45.568 6.579 -8.942 1.00 0.00 H ATOM 394 H TYR A 60 -48.666 -1.273 -10.021 1.00 0.00 H ATOM 395 N GLU A 61 -47.771 1.137 -6.777 1.00 50.32 N ATOM 396 CA GLU A 61 -48.572 1.797 -5.758 1.00 49.95 C ATOM 397 C GLU A 61 -47.871 3.018 -5.188 1.00 54.08 C ATOM 398 O GLU A 61 -46.649 3.112 -5.201 1.00 53.06 O ATOM 399 CB GLU A 61 -48.899 0.830 -4.623 1.00 48.94 C ATOM 400 CG GLU A 61 -49.888 -0.261 -4.982 1.00 57.67 C ATOM 401 CD GLU A 61 -49.999 -1.313 -3.900 1.00 64.55 C ATOM 402 OE1 GLU A 61 -48.962 -1.891 -3.528 1.00 55.89 O ATOM 403 OE2 GLU A 61 -51.119 -1.560 -3.418 1.00 56.12 O ATOM 404 H GLU A 61 -46.760 0.971 -6.597 1.00 0.00 H ATOM 405 N GLU A 62 -48.664 3.957 -4.690 1.00 52.13 N ATOM 406 CA GLU A 62 -48.139 5.131 -4.016 1.00 51.61 C ATOM 407 C GLU A 62 -48.716 5.194 -2.614 1.00 53.63 C ATOM 408 O GLU A 62 -49.910 4.996 -2.423 1.00 55.28 O ATOM 409 CB GLU A 62 -48.459 6.396 -4.805 1.00 56.01 C ATOM 410 CG GLU A 62 -47.859 6.395 -6.199 1.00 64.37 C ATOM 411 CD GLU A 62 -47.841 7.766 -6.832 1.00 84.09 C ATOM 412 OE1 GLU A 62 -48.780 8.548 -6.584 1.00 73.32 O ATOM 413 OE2 GLU A 62 -46.888 8.057 -7.579 1.00 76.19 O ATOM 414 H GLU A 62 -49.694 3.849 -4.785 1.00 0.00 H ATOM 415 N PHE A 63 -47.856 5.442 -1.634 1.00 46.24 N ATOM 416 CA PHE A 63 -48.265 5.450 -0.237 1.00 44.18 C ATOM 417 C PHE A 63 -47.753 6.685 0.478 1.00 52.17 C ATOM 418 O PHE A 63 -46.722 7.243 0.118 1.00 52.38 O ATOM 419 CB PHE A 63 -47.704 4.227 0.493 1.00 41.59 C ATOM 420 CG PHE A 63 -48.384 2.937 0.149 1.00 41.03 C ATOM 421 CD1 PHE A 63 -49.465 2.494 0.882 1.00 43.21 C ATOM 422 CD2 PHE A 63 -47.922 2.154 -0.890 1.00 40.66 C ATOM 423 CE1 PHE A 63 -50.086 1.303 0.575 1.00 43.04 C ATOM 424 CE2 PHE A 63 -48.538 0.964 -1.205 1.00 42.48 C ATOM 425 CZ PHE A 63 -49.622 0.537 -0.470 1.00 40.52 C ATOM 426 H PHE A 63 -46.862 5.636 -1.871 1.00 0.00 H ATOM 427 N THR A 64 -48.470 7.090 1.516 1.00 49.95 N ATOM 428 CA THR A 64 -47.953 8.068 2.452 1.00 48.58 C ATOM 429 C THR A 64 -47.668 7.322 3.737 1.00 48.60 C ATOM 430 O THR A 64 -48.505 6.569 4.221 1.00 46.08 O ATOM 431 CB THR A 64 -48.944 9.212 2.746 1.00 55.91 C ATOM 432 OG1 THR A 64 -50.087 8.701 3.441 1.00 55.30 O ATOM 433 CG2 THR A 64 -49.385 9.887 1.466 1.00 57.43 C ATOM 434 HG1 THR A 64 -49.797 8.292 4.295 1.00 0.00 H ATOM 435 H THR A 64 -49.422 6.698 1.662 1.00 0.00 H ATOM 436 N MET A 65 -46.476 7.519 4.280 1.00 45.59 N ATOM 437 CA MET A 65 -46.132 6.908 5.547 1.00 43.35 C ATOM 438 C MET A 65 -46.228 7.973 6.614 1.00 45.51 C ATOM 439 O MET A 65 -45.558 8.996 6.545 1.00 46.26 O ATOM 440 CB MET A 65 -44.716 6.347 5.510 1.00 44.52 C ATOM 441 CG MET A 65 -44.545 5.132 4.622 1.00 47.65 C ATOM 442 SD MET A 65 -42.811 4.710 4.421 1.00 50.93 S ATOM 443 CE MET A 65 -42.364 4.329 6.107 1.00 45.40 C ATOM 444 H MET A 65 -45.780 8.118 3.792 1.00 0.00 H ATOM 445 N VAL A 66 -47.068 7.728 7.606 1.00 40.58 N ATOM 446 CA VAL A 66 -47.238 8.684 8.677 1.00 40.58 C ATOM 447 C VAL A 66 -46.844 8.036 9.997 1.00 43.88 C ATOM 448 O VAL A 66 -47.481 7.078 10.430 1.00 43.66 O ATOM 449 CB VAL A 66 -48.659 9.331 8.705 1.00 45.83 C ATOM 450 CG1 VAL A 66 -48.898 10.116 10.002 1.00 45.52 C ATOM 451 CG2 VAL A 66 -48.876 10.223 7.485 1.00 47.01 C ATOM 452 H VAL A 66 -47.610 6.841 7.616 1.00 0.00 H ATOM 453 N GLY A 67 -45.796 8.580 10.607 1.00 39.08 N ATOM 454 CA GLY A 67 -45.300 8.186 11.915 1.00 36.70 C ATOM 455 C GLY A 67 -45.318 9.369 12.859 1.00 40.95 C ATOM 456 O GLY A 67 -45.658 10.490 12.475 1.00 40.59 O ATOM 457 H GLY A 67 -45.294 9.344 10.112 1.00 0.00 H ATOM 458 N LYS A 68 -44.946 9.128 14.105 1.00 39.54 N ATOM 459 CA LYS A 68 -44.902 10.132 15.162 1.00 40.44 C ATOM 460 C LYS A 68 -43.671 11.065 15.031 1.00 45.52 C ATOM 461 O LYS A 68 -43.738 12.220 15.457 1.00 45.74 O ATOM 462 CB LYS A 68 -44.945 9.418 16.523 1.00 42.64 C ATOM 463 CG LYS A 68 -45.272 10.321 17.702 1.00 71.64 C ATOM 464 CD LYS A 68 -46.751 10.316 18.118 1.00 82.15 C ATOM 465 CE LYS A 68 -47.148 11.580 18.876 1.00 84.31 C ATOM 466 NZ LYS A 68 -46.207 11.921 19.984 1.00 83.53 N ATOM 467 HZ1 LYS A 68 -46.181 11.138 20.668 1.00 0.00 H ATOM 468 HZ2 LYS A 68 -45.255 12.074 19.594 1.00 0.00 H ATOM 469 HZ3 LYS A 68 -46.532 12.788 20.459 1.00 0.00 H ATOM 470 H LYS A 68 -44.666 8.156 14.348 1.00 0.00 H ATOM 471 N ARG A 69 -42.570 10.586 14.413 1.00 40.45 N ATOM 472 CA ARG A 69 -41.348 11.388 14.281 1.00 39.70 C ATOM 473 C ARG A 69 -40.806 11.512 12.863 1.00 41.08 C ATOM 474 O ARG A 69 -39.773 12.160 12.645 1.00 39.10 O ATOM 475 CB ARG A 69 -40.249 10.904 15.225 1.00 40.75 C ATOM 476 CG ARG A 69 -40.353 9.489 15.720 1.00 51.13 C ATOM 477 CD ARG A 69 -39.364 9.267 16.832 1.00 49.19 C ATOM 478 NE ARG A 69 -39.818 10.008 17.990 1.00 54.01 N ATOM 479 CZ ARG A 69 -39.136 10.966 18.599 1.00 58.59 C ATOM 480 NH1 ARG A 69 -37.904 11.262 18.214 1.00 36.54 N ATOM 481 NH2 ARG A 69 -39.670 11.616 19.616 1.00 45.04 N ATOM 482 HE ARG A 69 -40.754 9.769 18.374 1.00 0.00 H ATOM 483 HH12 ARG A 69 -37.375 12.016 18.697 1.00 0.00 H ATOM 484 HH11 ARG A 69 -37.465 10.741 17.428 1.00 0.00 H ATOM 485 HH22 ARG A 69 -39.132 12.368 20.093 1.00 0.00 H ATOM 486 HH21 ARG A 69 -40.628 11.376 19.941 1.00 0.00 H ATOM 487 H ARG A 69 -42.589 9.623 14.020 1.00 0.00 H ATOM 488 N ALA A 70 -41.534 10.937 11.895 1.00 38.24 N ATOM 489 CA ALA A 70 -41.224 11.003 10.467 1.00 37.63 C ATOM 490 C ALA A 70 -42.486 10.775 9.627 1.00 42.77 C ATOM 491 O ALA A 70 -43.465 10.186 10.095 1.00 41.96 O ATOM 492 CB ALA A 70 -40.134 9.995 10.091 1.00 36.01 C ATOM 493 H ALA A 70 -42.381 10.405 12.180 1.00 0.00 H ATOM 494 N THR A 71 -42.486 11.327 8.416 1.00 41.47 N ATOM 495 CA THR A 71 -43.544 11.177 7.413 1.00 43.09 C ATOM 496 C THR A 71 -42.811 10.963 6.106 1.00 46.40 C ATOM 497 O THR A 71 -41.685 11.450 5.958 1.00 44.07 O ATOM 498 CB THR A 71 -44.493 12.388 7.337 1.00 52.19 C ATOM 499 OG1 THR A 71 -43.760 13.551 6.975 1.00 58.90 O ATOM 500 CG2 THR A 71 -45.289 12.624 8.621 1.00 46.26 C ATOM 501 HG1 THR A 71 -43.336 13.411 6.092 1.00 0.00 H ATOM 502 H THR A 71 -41.667 11.914 8.160 1.00 0.00 H ATOM 503 N ALA A 72 -43.411 10.202 5.176 1.00 44.40 N ATOM 504 CA ALA A 72 -42.789 9.941 3.883 1.00 44.24 C ATOM 505 C ALA A 72 -43.814 9.729 2.781 1.00 51.32 C ATOM 506 O ALA A 72 -44.964 9.394 3.060 1.00 50.87 O ATOM 507 CB ALA A 72 -41.889 8.717 3.989 1.00 42.08 C ATOM 508 H ALA A 72 -44.343 9.789 5.383 1.00 0.00 H ATOM 509 N ILE A 73 -43.391 9.932 1.522 1.00 50.52 N ATOM 510 CA ILE A 73 -44.164 9.604 0.328 1.00 52.09 C ATOM 511 C ILE A 73 -43.402 8.438 -0.271 1.00 52.81 C ATOM 512 O ILE A 73 -42.213 8.575 -0.583 1.00 52.29 O ATOM 513 CB ILE A 73 -44.352 10.742 -0.715 1.00 59.17 C ATOM 514 CG1 ILE A 73 -45.150 11.908 -0.111 1.00 63.04 C ATOM 515 CG2 ILE A 73 -45.077 10.184 -1.961 1.00 60.66 C ATOM 516 CD1 ILE A 73 -45.015 13.303 -0.858 1.00 80.77 C ATOM 517 H ILE A 73 -42.449 10.351 1.389 1.00 0.00 H ATOM 518 N LEU A 74 -44.077 7.288 -0.408 1.00 47.03 N ATOM 519 CA LEU A 74 -43.505 6.081 -0.978 1.00 43.78 C ATOM 520 C LEU A 74 -44.127 5.692 -2.297 1.00 49.22 C ATOM 521 O LEU A 74 -45.302 5.325 -2.363 1.00 48.86 O ATOM 522 CB LEU A 74 -43.552 4.911 0.023 1.00 40.07 C ATOM 523 CG LEU A 74 -42.975 3.550 -0.454 1.00 41.56 C ATOM 524 CD1 LEU A 74 -41.544 3.685 -0.996 1.00 40.44 C ATOM 525 CD2 LEU A 74 -42.935 2.586 0.687 1.00 41.39 C ATOM 526 H LEU A 74 -45.066 7.259 -0.088 1.00 0.00 H ATOM 527 N ARG A 75 -43.312 5.737 -3.344 1.00 49.01 N ATOM 528 CA ARG A 75 -43.705 5.321 -4.691 1.00 51.67 C ATOM 529 C ARG A 75 -42.993 3.994 -4.904 1.00 52.41 C ATOM 530 O ARG A 75 -41.766 3.947 -4.803 1.00 50.61 O ATOM 531 CB ARG A 75 -43.279 6.350 -5.753 1.00 54.91 C ATOM 532 CG ARG A 75 -44.075 7.634 -5.699 1.00 74.13 C ATOM 533 CD ARG A 75 -43.405 8.768 -6.460 1.00 91.90 C ATOM 534 NE ARG A 75 -43.680 10.062 -5.830 1.00105.42 N ATOM 535 CZ ARG A 75 -44.479 10.997 -6.337 1.00127.31 C ATOM 536 NH1 ARG A 75 -45.071 10.811 -7.513 1.00122.23 N ATOM 537 NH2 ARG A 75 -44.675 12.136 -5.685 1.00110.99 N ATOM 538 HE ARG A 75 -43.217 10.264 -4.921 1.00 0.00 H ATOM 539 HH12 ARG A 75 -45.694 11.546 -7.903 1.00 0.00 H ATOM 540 HH11 ARG A 75 -44.911 9.930 -8.042 1.00 0.00 H ATOM 541 HH22 ARG A 75 -45.301 12.864 -6.086 1.00 0.00 H ATOM 542 HH21 ARG A 75 -44.203 12.301 -4.773 1.00 0.00 H ATOM 543 H ARG A 75 -42.343 6.086 -3.199 1.00 0.00 H ATOM 544 N LYS A 76 -43.763 2.902 -5.123 1.00 47.59 N ATOM 545 CA LYS A 76 -43.201 1.571 -5.329 1.00 44.50 C ATOM 546 C LYS A 76 -43.876 0.749 -6.440 1.00 49.88 C ATOM 547 O LYS A 76 -45.052 0.954 -6.736 1.00 50.54 O ATOM 548 CB LYS A 76 -43.191 0.795 -4.012 1.00 42.33 C ATOM 549 CG LYS A 76 -44.536 0.199 -3.578 1.00 45.79 C ATOM 550 CD LYS A 76 -44.345 -0.863 -2.506 1.00 50.03 C ATOM 551 CE LYS A 76 -43.736 -2.154 -3.019 1.00 52.77 C ATOM 552 NZ LYS A 76 -44.752 -3.219 -3.156 1.00 51.60 N ATOM 553 HZ1 LYS A 76 -45.184 -3.405 -2.229 1.00 0.00 H ATOM 554 HZ2 LYS A 76 -45.486 -2.912 -3.827 1.00 0.00 H ATOM 555 HZ3 LYS A 76 -44.298 -4.086 -3.509 1.00 0.00 H ATOM 556 H LYS A 76 -44.796 3.016 -5.145 1.00 0.00 H ATOM 557 N ALA A 77 -43.123 -0.207 -7.013 1.00 46.38 N ATOM 558 CA ALA A 77 -43.580 -1.195 -8.005 1.00 48.91 C ATOM 559 C ALA A 77 -43.357 -2.601 -7.381 1.00 52.96 C ATOM 560 O ALA A 77 -42.841 -2.700 -6.259 1.00 51.00 O ATOM 561 CB ALA A 77 -42.796 -1.055 -9.312 1.00 52.00 C ATOM 562 H ALA A 77 -42.124 -0.253 -6.729 1.00 0.00 H ATOM 563 N THR A 78 -43.730 -3.679 -8.089 1.00 50.88 N ATOM 564 CA THR A 78 -43.534 -5.034 -7.557 1.00 48.24 C ATOM 565 C THR A 78 -42.082 -5.266 -7.173 1.00 50.88 C ATOM 566 O THR A 78 -41.210 -5.224 -8.045 1.00 52.77 O ATOM 567 CB THR A 78 -44.038 -6.104 -8.553 1.00 44.91 C ATOM 568 OG1 THR A 78 -45.358 -5.758 -8.905 1.00 41.31 O ATOM 569 CG2 THR A 78 -44.037 -7.524 -7.963 1.00 37.21 C ATOM 570 HG1 THR A 78 -45.713 -6.425 -9.545 1.00 0.00 H ATOM 571 H THR A 78 -44.163 -3.553 -9.026 1.00 0.00 H ATOM 572 N ARG A 79 -41.831 -5.482 -5.860 1.00 43.66 N ATOM 573 CA ARG A 79 -40.513 -5.792 -5.281 1.00 41.18 C ATOM 574 C ARG A 79 -39.433 -4.800 -5.720 1.00 45.08 C ATOM 575 O ARG A 79 -38.297 -5.182 -6.008 1.00 44.90 O ATOM 576 CB ARG A 79 -40.097 -7.249 -5.587 1.00 40.17 C ATOM 577 CG ARG A 79 -41.079 -8.304 -5.063 1.00 43.31 C ATOM 578 CD ARG A 79 -40.423 -9.655 -4.926 1.00 42.81 C ATOM 579 NE ARG A 79 -39.280 -9.576 -4.024 1.00 46.69 N ATOM 580 CZ ARG A 79 -38.240 -10.398 -4.027 1.00 54.01 C ATOM 581 NH1 ARG A 79 -38.195 -11.415 -4.869 1.00 45.24 N ATOM 582 NH2 ARG A 79 -37.245 -10.219 -3.172 1.00 37.88 N ATOM 583 HE ARG A 79 -39.281 -8.811 -3.320 1.00 0.00 H ATOM 584 HH12 ARG A 79 -37.376 -12.056 -4.866 1.00 0.00 H ATOM 585 HH11 ARG A 79 -38.978 -11.574 -5.534 1.00 0.00 H ATOM 586 HH22 ARG A 79 -36.431 -10.867 -3.178 1.00 0.00 H ATOM 587 HH21 ARG A 79 -37.277 -9.431 -2.494 1.00 0.00 H ATOM 588 H ARG A 79 -42.637 -5.424 -5.205 1.00 0.00 H ATOM 589 N ARG A 80 -39.818 -3.530 -5.807 1.00 42.25 N ATOM 590 CA ARG A 80 -38.949 -2.457 -6.255 1.00 44.29 C ATOM 591 C ARG A 80 -39.457 -1.111 -5.722 1.00 49.24 C ATOM 592 O ARG A 80 -40.623 -0.777 -5.926 1.00 50.72 O ATOM 593 CB ARG A 80 -38.876 -2.454 -7.808 1.00 46.68 C ATOM 594 CG ARG A 80 -37.765 -1.585 -8.394 1.00 53.98 C ATOM 595 CD ARG A 80 -37.529 -1.859 -9.874 1.00 60.22 C ATOM 596 NE ARG A 80 -38.627 -1.388 -10.725 1.00 65.67 N ATOM 597 CZ ARG A 80 -38.779 -0.133 -11.148 1.00 77.30 C ATOM 598 NH1 ARG A 80 -37.908 0.808 -10.797 1.00 67.30 N ATOM 599 NH2 ARG A 80 -39.809 0.192 -11.916 1.00 60.63 N ATOM 600 HE ARG A 80 -39.340 -2.085 -11.020 1.00 0.00 H ATOM 601 HH12 ARG A 80 -38.034 1.785 -11.132 1.00 0.00 H ATOM 602 HH11 ARG A 80 -37.100 0.568 -10.188 1.00 0.00 H ATOM 603 HH22 ARG A 80 -39.924 1.172 -12.244 1.00 0.00 H ATOM 604 HH21 ARG A 80 -40.502 -0.533 -12.191 1.00 0.00 H ATOM 605 H ARG A 80 -40.795 -3.293 -5.540 1.00 0.00 H ATOM 606 N LEU A 81 -38.590 -0.362 -5.018 1.00 45.09 N ATOM 607 CA LEU A 81 -38.893 0.991 -4.538 1.00 45.50 C ATOM 608 C LEU A 81 -38.558 1.950 -5.712 1.00 52.96 C ATOM 609 O LEU A 81 -37.467 1.846 -6.284 1.00 55.03 O ATOM 610 CB LEU A 81 -38.028 1.313 -3.288 1.00 43.38 C ATOM 611 CG LEU A 81 -38.149 2.732 -2.645 1.00 47.20 C ATOM 612 CD1 LEU A 81 -37.846 2.669 -1.193 1.00 44.13 C ATOM 613 CD2 LEU A 81 -37.140 3.706 -3.242 1.00 50.44 C ATOM 614 H LEU A 81 -37.655 -0.763 -4.802 1.00 0.00 H ATOM 615 N VAL A 82 -39.481 2.849 -6.083 1.00 50.39 N ATOM 616 CA VAL A 82 -39.235 3.812 -7.170 1.00 53.97 C ATOM 617 C VAL A 82 -38.687 5.118 -6.592 1.00 57.18 C ATOM 618 O VAL A 82 -37.662 5.619 -7.045 1.00 58.24 O ATOM 619 CB VAL A 82 -40.459 4.004 -8.102 1.00 61.67 C ATOM 620 CG1 VAL A 82 -40.275 5.199 -9.035 1.00 65.88 C ATOM 621 CG2 VAL A 82 -40.733 2.735 -8.923 1.00 62.32 C ATOM 622 H VAL A 82 -40.396 2.867 -5.589 1.00 0.00 H ATOM 623 N GLN A 83 -39.348 5.639 -5.551 1.00 52.06 N ATOM 624 CA GLN A 83 -38.928 6.850 -4.860 1.00 50.39 C ATOM 625 C GLN A 83 -39.446 6.906 -3.419 1.00 48.96 C ATOM 626 O GLN A 83 -40.569 6.489 -3.148 1.00 47.08 O ATOM 627 CB GLN A 83 -39.369 8.099 -5.642 1.00 55.53 C ATOM 628 CG GLN A 83 -38.589 9.359 -5.260 1.00 73.84 C ATOM 629 CD GLN A 83 -39.176 10.645 -5.780 1.00 95.91 C ATOM 630 OE1 GLN A 83 -40.398 10.793 -5.865 1.00 96.96 O ATOM 631 NE2 GLN A 83 -38.330 11.592 -6.176 1.00 85.71 N ATOM 632 HE22 GLN A 83 -37.304 11.441 -6.093 1.00 0.00 H ATOM 633 HE21 GLN A 83 -38.694 12.484 -6.569 1.00 0.00 H ATOM 634 H GLN A 83 -40.206 5.154 -5.219 1.00 0.00 H ATOM 635 N LEU A 84 -38.619 7.439 -2.505 1.00 44.52 N ATOM 636 CA LEU A 84 -38.979 7.732 -1.112 1.00 41.83 C ATOM 637 C LEU A 84 -38.512 9.132 -0.721 1.00 48.97 C ATOM 638 O LEU A 84 -37.308 9.396 -0.700 1.00 49.58 O ATOM 639 CB LEU A 84 -38.477 6.701 -0.096 1.00 37.53 C ATOM 640 CG LEU A 84 -38.978 6.953 1.332 1.00 37.80 C ATOM 641 CD1 LEU A 84 -40.374 6.379 1.554 1.00 35.44 C ATOM 642 CD2 LEU A 84 -37.995 6.429 2.349 1.00 38.22 C ATOM 643 H LEU A 84 -37.649 7.661 -2.807 1.00 0.00 H ATOM 644 N ILE A 85 -39.472 10.035 -0.464 1.00 46.70 N ATOM 645 CA ILE A 85 -39.207 11.405 -0.014 1.00 46.86 C ATOM 646 C ILE A 85 -39.583 11.385 1.462 1.00 48.83 C ATOM 647 O ILE A 85 -40.766 11.261 1.809 1.00 46.51 O ATOM 648 CB ILE A 85 -39.962 12.494 -0.827 1.00 53.08 C ATOM 649 CG1 ILE A 85 -39.646 12.388 -2.347 1.00 55.94 C ATOM 650 CG2 ILE A 85 -39.633 13.894 -0.272 1.00 53.81 C ATOM 651 CD1 ILE A 85 -40.658 13.077 -3.256 1.00 67.46 C ATOM 652 H ILE A 85 -40.463 9.745 -0.592 1.00 0.00 H ATOM 653 N VAL A 86 -38.554 11.409 2.324 1.00 45.62 N ATOM 654 CA VAL A 86 -38.725 11.297 3.765 1.00 43.45 C ATOM 655 C VAL A 86 -38.358 12.617 4.474 1.00 49.25 C ATOM 656 O VAL A 86 -37.374 13.289 4.141 1.00 50.38 O ATOM 657 CB VAL A 86 -38.006 10.025 4.332 1.00 44.04 C ATOM 658 CG1 VAL A 86 -36.548 9.946 3.878 1.00 44.83 C ATOM 659 CG2 VAL A 86 -38.139 9.893 5.853 1.00 41.35 C ATOM 660 H VAL A 86 -37.591 11.512 1.945 1.00 0.00 H ATOM 661 N SER A 87 -39.228 12.985 5.430 1.00 45.17 N ATOM 662 CA SER A 87 -39.188 14.159 6.302 1.00 44.57 C ATOM 663 C SER A 87 -39.230 13.632 7.734 1.00 45.20 C ATOM 664 O SER A 87 -39.894 12.643 7.981 1.00 44.14 O ATOM 665 CB SER A 87 -40.425 15.014 6.036 1.00 48.04 C ATOM 666 OG SER A 87 -40.347 16.252 6.711 1.00 58.39 O ATOM 667 HG SER A 87 -41.161 16.783 6.520 1.00 0.00 H ATOM 668 H SER A 87 -40.039 12.349 5.569 1.00 0.00 H ATOM 669 N GLY A 88 -38.530 14.265 8.660 1.00 42.56 N ATOM 670 CA GLY A 88 -38.536 13.806 10.048 1.00 40.80 C ATOM 671 C GLY A 88 -37.843 14.702 11.052 1.00 44.01 C ATOM 672 O GLY A 88 -37.272 15.725 10.680 1.00 44.07 O ATOM 673 H GLY A 88 -37.968 15.100 8.398 1.00 0.00 H ATOM 674 N LYS A 89 -37.862 14.289 12.332 1.00 40.04 N ATOM 675 CA LYS A 89 -37.295 15.024 13.480 1.00 40.62 C ATOM 676 C LYS A 89 -35.763 15.194 13.464 1.00 44.24 C ATOM 677 O LYS A 89 -35.253 16.221 13.923 1.00 46.69 O ATOM 678 CB LYS A 89 -37.722 14.355 14.809 1.00 42.06 C ATOM 679 CG LYS A 89 -39.115 14.716 15.292 1.00 56.15 C ATOM 680 CD LYS A 89 -39.358 14.155 16.701 1.00 65.75 C ATOM 681 CE LYS A 89 -40.818 14.126 17.113 1.00 73.20 C ATOM 682 NZ LYS A 89 -41.242 15.371 17.808 1.00 84.02 N ATOM 683 HZ1 LYS A 89 -40.670 15.499 18.667 1.00 0.00 H ATOM 684 HZ2 LYS A 89 -41.105 16.184 17.174 1.00 0.00 H ATOM 685 HZ3 LYS A 89 -42.247 15.297 18.067 1.00 0.00 H ATOM 686 H LYS A 89 -38.315 13.374 12.530 1.00 0.00 H ATOM 687 N ASP A 90 -35.040 14.155 13.028 1.00 38.43 N ATOM 688 CA ASP A 90 -33.572 14.073 13.009 1.00 38.05 C ATOM 689 C ASP A 90 -33.161 12.839 12.177 1.00 40.03 C ATOM 690 O ASP A 90 -34.039 12.132 11.704 1.00 38.04 O ATOM 691 CB ASP A 90 -33.042 13.949 14.454 1.00 39.33 C ATOM 692 CG ASP A 90 -33.804 12.936 15.308 1.00 48.40 C ATOM 693 OD1 ASP A 90 -34.316 11.942 14.746 1.00 48.67 O ATOM 694 OD2 ASP A 90 -33.915 13.154 16.524 1.00 52.98 O ATOM 695 H ASP A 90 -35.564 13.331 12.670 1.00 0.00 H ATOM 696 N GLU A 91 -31.849 12.582 12.019 1.00 37.52 N ATOM 697 CA GLU A 91 -31.258 11.465 11.264 1.00 37.65 C ATOM 698 C GLU A 91 -31.829 10.089 11.670 1.00 39.73 C ATOM 699 O GLU A 91 -32.144 9.275 10.798 1.00 39.72 O ATOM 700 CB GLU A 91 -29.710 11.530 11.394 1.00 41.55 C ATOM 701 CG GLU A 91 -28.934 10.212 11.387 1.00 57.72 C ATOM 702 CD GLU A 91 -28.764 9.471 12.707 1.00 90.83 C ATOM 703 OE1 GLU A 91 -28.572 10.125 13.762 1.00 80.02 O ATOM 704 OE2 GLU A 91 -28.816 8.219 12.676 1.00 91.45 O ATOM 705 H GLU A 91 -31.186 13.239 12.477 1.00 0.00 H ATOM 706 N GLN A 92 -31.959 9.844 12.995 1.00 33.27 N ATOM 707 CA GLN A 92 -32.434 8.592 13.564 1.00 30.14 C ATOM 708 C GLN A 92 -33.882 8.272 13.167 1.00 33.13 C ATOM 709 O GLN A 92 -34.168 7.163 12.692 1.00 30.95 O ATOM 710 CB GLN A 92 -32.218 8.586 15.086 1.00 31.60 C ATOM 711 CG GLN A 92 -32.212 7.196 15.688 1.00 51.83 C ATOM 712 CD GLN A 92 -31.230 6.259 15.032 1.00 70.28 C ATOM 713 OE1 GLN A 92 -30.022 6.551 14.923 1.00 71.34 O ATOM 714 NE2 GLN A 92 -31.741 5.107 14.582 1.00 50.15 N ATOM 715 HE22 GLN A 92 -32.755 4.908 14.696 1.00 0.00 H ATOM 716 HE21 GLN A 92 -31.124 4.410 14.118 1.00 0.00 H ATOM 717 H GLN A 92 -31.701 10.606 13.654 1.00 0.00 H ATOM 718 N SER A 93 -34.773 9.266 13.316 1.00 31.29 N ATOM 719 CA SER A 93 -36.192 9.195 12.973 1.00 30.82 C ATOM 720 C SER A 93 -36.346 8.922 11.503 1.00 34.52 C ATOM 721 O SER A 93 -37.186 8.106 11.131 1.00 32.33 O ATOM 722 CB SER A 93 -36.888 10.507 13.329 1.00 37.48 C ATOM 723 OG SER A 93 -36.863 10.737 14.732 1.00 55.16 O ATOM 724 HG SER A 93 -35.924 10.783 15.041 1.00 0.00 H ATOM 725 H SER A 93 -34.423 10.163 13.709 1.00 0.00 H ATOM 726 N ILE A 94 -35.509 9.595 10.664 1.00 32.95 N ATOM 727 CA ILE A 94 -35.526 9.471 9.207 1.00 33.76 C ATOM 728 C ILE A 94 -35.024 8.064 8.800 1.00 39.79 C ATOM 729 O ILE A 94 -35.704 7.400 8.024 1.00 41.68 O ATOM 730 CB ILE A 94 -34.785 10.670 8.548 1.00 38.54 C ATOM 731 CG1 ILE A 94 -35.550 12.008 8.815 1.00 39.39 C ATOM 732 CG2 ILE A 94 -34.548 10.461 7.059 1.00 39.82 C ATOM 733 CD1 ILE A 94 -34.754 13.357 8.514 1.00 37.06 C ATOM 734 H ILE A 94 -34.812 10.240 11.088 1.00 0.00 H ATOM 735 N ALA A 95 -33.897 7.587 9.391 1.00 35.06 N ATOM 736 CA ALA A 95 -33.323 6.261 9.179 1.00 34.20 C ATOM 737 C ALA A 95 -34.337 5.157 9.489 1.00 36.54 C ATOM 738 O ALA A 95 -34.468 4.225 8.714 1.00 35.09 O ATOM 739 CB ALA A 95 -32.075 6.089 10.029 1.00 36.00 C ATOM 740 H ALA A 95 -33.401 8.220 10.050 1.00 0.00 H ATOM 741 N GLU A 96 -35.080 5.291 10.598 1.00 34.47 N ATOM 742 CA GLU A 96 -36.171 4.397 11.005 1.00 33.34 C ATOM 743 C GLU A 96 -37.205 4.299 9.854 1.00 35.53 C ATOM 744 O GLU A 96 -37.596 3.194 9.478 1.00 34.92 O ATOM 745 CB GLU A 96 -36.861 4.975 12.247 1.00 35.13 C ATOM 746 CG GLU A 96 -36.460 4.349 13.563 1.00 53.88 C ATOM 747 CD GLU A 96 -36.704 5.212 14.787 1.00 80.60 C ATOM 748 OE1 GLU A 96 -37.801 5.811 14.902 1.00 80.98 O ATOM 749 OE2 GLU A 96 -35.776 5.303 15.624 1.00 73.16 O ATOM 750 H GLU A 96 -34.865 6.095 11.221 1.00 0.00 H ATOM 751 N ALA A 97 -37.633 5.461 9.297 1.00 31.69 N ATOM 752 CA ALA A 97 -38.593 5.526 8.192 1.00 32.22 C ATOM 753 C ALA A 97 -38.047 4.913 6.889 1.00 37.07 C ATOM 754 O ALA A 97 -38.796 4.251 6.178 1.00 37.51 O ATOM 755 CB ALA A 97 -39.059 6.957 7.965 1.00 33.65 C ATOM 756 H ALA A 97 -37.259 6.354 9.676 1.00 0.00 H ATOM 757 N ILE A 98 -36.745 5.101 6.605 1.00 33.67 N ATOM 758 CA ILE A 98 -36.080 4.527 5.428 1.00 34.00 C ATOM 759 C ILE A 98 -35.998 2.994 5.562 1.00 36.80 C ATOM 760 O ILE A 98 -36.252 2.286 4.592 1.00 37.66 O ATOM 761 CB ILE A 98 -34.698 5.202 5.164 1.00 37.72 C ATOM 762 CG1 ILE A 98 -34.852 6.702 4.793 1.00 37.92 C ATOM 763 CG2 ILE A 98 -33.898 4.461 4.102 1.00 38.70 C ATOM 764 CD1 ILE A 98 -33.557 7.539 4.966 1.00 36.90 C ATOM 765 H ILE A 98 -36.179 5.684 7.254 1.00 0.00 H ATOM 766 N ILE A 99 -35.699 2.487 6.765 1.00 32.07 N ATOM 767 CA ILE A 99 -35.605 1.049 7.024 1.00 30.62 C ATOM 768 C ILE A 99 -36.951 0.352 6.740 1.00 35.70 C ATOM 769 O ILE A 99 -36.968 -0.646 6.035 1.00 35.50 O ATOM 770 CB ILE A 99 -35.027 0.749 8.435 1.00 32.43 C ATOM 771 CG1 ILE A 99 -33.546 1.118 8.493 1.00 32.66 C ATOM 772 CG2 ILE A 99 -35.222 -0.741 8.832 1.00 33.52 C ATOM 773 CD1 ILE A 99 -33.057 1.390 9.891 1.00 43.62 C ATOM 774 H ILE A 99 -35.526 3.145 7.551 1.00 0.00 H ATOM 775 N VAL A 100 -38.064 0.920 7.251 1.00 32.24 N ATOM 776 CA VAL A 100 -39.433 0.428 7.068 1.00 30.46 C ATOM 777 C VAL A 100 -39.775 0.444 5.572 1.00 35.62 C ATOM 778 O VAL A 100 -40.289 -0.555 5.066 1.00 38.02 O ATOM 779 CB VAL A 100 -40.451 1.238 7.944 1.00 32.39 C ATOM 780 CG1 VAL A 100 -41.901 0.834 7.667 1.00 33.34 C ATOM 781 CG2 VAL A 100 -40.150 1.087 9.417 1.00 30.53 C ATOM 782 H VAL A 100 -37.940 1.780 7.823 1.00 0.00 H ATOM 783 N ALA A 101 -39.468 1.553 4.862 1.00 30.23 N ATOM 784 CA ALA A 101 -39.707 1.701 3.417 1.00 30.52 C ATOM 785 C ALA A 101 -39.003 0.608 2.586 1.00 35.01 C ATOM 786 O ALA A 101 -39.626 0.020 1.697 1.00 35.89 O ATOM 787 CB ALA A 101 -39.232 3.061 2.957 1.00 32.06 C ATOM 788 H ALA A 101 -39.036 2.352 5.369 1.00 0.00 H ATOM 789 N MET A 102 -37.703 0.369 2.863 1.00 29.99 N ATOM 790 CA MET A 102 -36.866 -0.611 2.181 1.00 29.91 C ATOM 791 C MET A 102 -37.348 -2.057 2.454 1.00 37.17 C ATOM 792 O MET A 102 -37.343 -2.899 1.533 1.00 40.15 O ATOM 793 CB MET A 102 -35.396 -0.435 2.577 1.00 31.46 C ATOM 794 CG MET A 102 -34.766 0.800 2.032 1.00 34.72 C ATOM 795 SD MET A 102 -33.097 0.930 2.709 1.00 39.32 S ATOM 796 CE MET A 102 -32.452 2.321 1.660 1.00 37.13 C ATOM 797 H MET A 102 -37.264 0.928 3.622 1.00 0.00 H ATOM 798 N VAL A 103 -37.783 -2.339 3.698 1.00 30.41 N ATOM 799 CA VAL A 103 -38.346 -3.648 4.053 1.00 29.39 C ATOM 800 C VAL A 103 -39.716 -3.796 3.351 1.00 36.35 C ATOM 801 O VAL A 103 -39.973 -4.828 2.727 1.00 38.97 O ATOM 802 CB VAL A 103 -38.443 -3.898 5.585 1.00 29.89 C ATOM 803 CG1 VAL A 103 -39.212 -5.181 5.882 1.00 30.10 C ATOM 804 CG2 VAL A 103 -37.060 -3.958 6.211 1.00 28.70 C ATOM 805 H VAL A 103 -37.718 -1.605 4.431 1.00 0.00 H ATOM 806 N PHE A 104 -40.558 -2.744 3.420 1.00 30.79 N ATOM 807 CA PHE A 104 -41.874 -2.706 2.786 1.00 30.98 C ATOM 808 C PHE A 104 -41.821 -2.882 1.262 1.00 34.96 C ATOM 809 O PHE A 104 -42.721 -3.505 0.715 1.00 35.97 O ATOM 810 CB PHE A 104 -42.635 -1.435 3.186 1.00 32.39 C ATOM 811 CG PHE A 104 -44.028 -1.324 2.612 1.00 35.42 C ATOM 812 CD1 PHE A 104 -45.118 -1.872 3.278 1.00 38.06 C ATOM 813 CD2 PHE A 104 -44.261 -0.611 1.441 1.00 38.60 C ATOM 814 CE1 PHE A 104 -46.403 -1.745 2.763 1.00 40.65 C ATOM 815 CE2 PHE A 104 -45.551 -0.493 0.920 1.00 42.97 C ATOM 816 CZ PHE A 104 -46.611 -1.064 1.583 1.00 41.59 C ATOM 817 H PHE A 104 -40.251 -1.908 3.958 1.00 0.00 H ATOM 818 N SER A 105 -40.762 -2.367 0.591 1.00 31.59 N ATOM 819 CA SER A 105 -40.552 -2.458 -0.868 1.00 32.75 C ATOM 820 C SER A 105 -40.423 -3.905 -1.351 1.00 36.86 C ATOM 821 O SER A 105 -40.622 -4.154 -2.535 1.00 37.71 O ATOM 822 CB SER A 105 -39.300 -1.685 -1.283 1.00 35.53 C ATOM 823 OG SER A 105 -38.109 -2.421 -1.044 1.00 43.80 O ATOM 824 HG SER A 105 -38.038 -2.626 -0.078 1.00 0.00 H ATOM 825 H SER A 105 -40.039 -1.868 1.148 1.00 0.00 H ATOM 826 N GLN A 106 -40.033 -4.848 -0.445 1.00 31.49 N ATOM 827 CA GLN A 106 -39.839 -6.283 -0.725 1.00 31.01 C ATOM 828 C GLN A 106 -38.705 -6.551 -1.727 1.00 36.71 C ATOM 829 O GLN A 106 -38.599 -7.667 -2.231 1.00 38.17 O ATOM 830 CB GLN A 106 -41.156 -6.989 -1.152 1.00 32.33 C ATOM 831 CG GLN A 106 -42.200 -7.016 -0.049 1.00 28.57 C ATOM 832 CD GLN A 106 -43.540 -7.539 -0.481 1.00 44.45 C ATOM 833 OE1 GLN A 106 -43.957 -7.407 -1.631 1.00 37.67 O ATOM 834 NE2 GLN A 106 -44.287 -8.065 0.471 1.00 39.20 N ATOM 835 HE22 GLN A 106 -43.908 -8.164 1.434 1.00 0.00 H ATOM 836 HE21 GLN A 106 -45.255 -8.380 0.258 1.00 0.00 H ATOM 837 H GLN A 106 -39.857 -4.527 0.528 1.00 0.00 H ATOM 838 N GLU A 107 -37.845 -5.549 -1.979 1.00 33.57 N ATOM 839 CA GLU A 107 -36.711 -5.607 -2.913 1.00 35.56 C ATOM 840 C GLU A 107 -35.743 -6.764 -2.678 1.00 43.45 C ATOM 841 O GLU A 107 -35.442 -7.122 -1.530 1.00 42.40 O ATOM 842 CB GLU A 107 -35.916 -4.287 -2.914 1.00 36.76 C ATOM 843 CG GLU A 107 -36.448 -3.260 -3.894 1.00 48.50 C ATOM 844 CD GLU A 107 -35.449 -2.359 -4.598 1.00 61.77 C ATOM 845 OE1 GLU A 107 -35.830 -1.210 -4.909 1.00 55.43 O ATOM 846 OE2 GLU A 107 -34.321 -2.807 -4.900 1.00 54.50 O ATOM 847 H GLU A 107 -37.995 -4.655 -1.469 1.00 0.00 H ATOM 848 N ASP A 108 -35.220 -7.312 -3.776 1.00 43.47 N ATOM 849 CA ASP A 108 -34.224 -8.365 -3.712 1.00 45.03 C ATOM 850 C ASP A 108 -32.995 -7.931 -2.882 1.00 48.70 C ATOM 851 O ASP A 108 -32.527 -8.727 -2.070 1.00 48.88 O ATOM 852 CB ASP A 108 -33.791 -8.799 -5.124 1.00 49.50 C ATOM 853 CG ASP A 108 -32.801 -9.947 -5.143 1.00 60.21 C ATOM 854 OD1 ASP A 108 -33.053 -10.957 -4.457 1.00 58.77 O ATOM 855 OD2 ASP A 108 -31.773 -9.837 -5.857 1.00 69.92 O ATOM 856 H ASP A 108 -35.536 -6.974 -4.707 1.00 0.00 H ATOM 857 N CYS A 109 -32.482 -6.695 -3.072 1.00 45.33 N ATOM 858 CA CYS A 109 -31.267 -6.274 -2.361 1.00 46.44 C ATOM 859 C CYS A 109 -31.467 -6.142 -0.852 1.00 45.85 C ATOM 860 O CYS A 109 -30.495 -6.267 -0.107 1.00 47.70 O ATOM 861 CB CYS A 109 -30.634 -5.023 -2.969 1.00 49.38 C ATOM 862 SG CYS A 109 -31.638 -3.529 -2.833 1.00 52.29 S ATOM 863 H CYS A 109 -32.951 -6.037 -3.727 1.00 0.00 H ATOM 864 N MET A 110 -32.711 -5.925 -0.401 1.00 36.47 N ATOM 865 CA MET A 110 -33.022 -5.851 1.018 1.00 33.20 C ATOM 866 C MET A 110 -32.988 -7.292 1.578 1.00 39.23 C ATOM 867 O MET A 110 -32.427 -7.526 2.647 1.00 38.46 O ATOM 868 CB MET A 110 -34.368 -5.121 1.237 1.00 32.90 C ATOM 869 CG MET A 110 -34.935 -5.208 2.671 1.00 33.98 C ATOM 870 SD MET A 110 -35.875 -6.737 3.021 1.00 37.21 S ATOM 871 CE MET A 110 -37.215 -6.570 1.842 1.00 33.06 C ATOM 872 H MET A 110 -33.481 -5.805 -1.090 1.00 0.00 H ATOM 873 N ILE A 111 -33.551 -8.255 0.814 1.00 38.62 N ATOM 874 CA ILE A 111 -33.595 -9.675 1.166 1.00 39.12 C ATOM 875 C ILE A 111 -32.162 -10.255 1.130 1.00 42.13 C ATOM 876 O ILE A 111 -31.760 -10.910 2.091 1.00 42.27 O ATOM 877 CB ILE A 111 -34.677 -10.442 0.324 1.00 42.70 C ATOM 878 CG1 ILE A 111 -36.066 -10.257 1.012 1.00 41.29 C ATOM 879 CG2 ILE A 111 -34.367 -11.928 0.229 1.00 44.66 C ATOM 880 CD1 ILE A 111 -37.129 -9.954 0.178 1.00 53.14 C ATOM 881 H ILE A 111 -33.983 -7.967 -0.087 1.00 0.00 H ATOM 882 N LYS A 112 -31.374 -9.918 0.094 1.00 38.54 N ATOM 883 CA LYS A 112 -29.969 -10.344 -0.035 1.00 41.10 C ATOM 884 C LYS A 112 -29.036 -9.720 1.020 1.00 45.45 C ATOM 885 O LYS A 112 -27.949 -10.257 1.265 1.00 46.26 O ATOM 886 CB LYS A 112 -29.435 -10.110 -1.459 1.00 44.50 C ATOM 887 CG LYS A 112 -30.073 -11.009 -2.519 1.00 45.06 C ATOM 888 CD LYS A 112 -29.597 -12.455 -2.487 1.00 48.22 C ATOM 889 CE LYS A 112 -30.161 -13.269 -3.639 1.00 52.91 C ATOM 890 NZ LYS A 112 -31.642 -13.446 -3.580 1.00 43.71 N ATOM 891 HZ1 LYS A 112 -31.896 -13.937 -2.699 1.00 0.00 H ATOM 892 HZ2 LYS A 112 -32.103 -12.514 -3.604 1.00 0.00 H ATOM 893 HZ3 LYS A 112 -31.955 -14.010 -4.396 1.00 0.00 H ATOM 894 H LYS A 112 -31.778 -9.324 -0.658 1.00 0.00 H ATOM 895 N ALA A 113 -29.486 -8.613 1.671 1.00 41.26 N ATOM 896 CA ALA A 113 -28.763 -7.918 2.741 1.00 41.41 C ATOM 897 C ALA A 113 -28.876 -8.671 4.062 1.00 46.22 C ATOM 898 O ALA A 113 -28.142 -8.336 4.993 1.00 46.17 O ATOM 899 CB ALA A 113 -29.254 -6.482 2.892 1.00 39.89 C ATOM 900 H ALA A 113 -30.411 -8.231 1.389 1.00 0.00 H ATOM 901 N VAL A 114 -29.785 -9.695 4.147 1.00 44.13 N ATOM 902 CA VAL A 114 -29.896 -10.603 5.305 1.00 45.44 C ATOM 903 C VAL A 114 -28.753 -11.586 5.092 1.00 57.74 C ATOM 904 O VAL A 114 -28.859 -12.436 4.211 1.00 59.86 O ATOM 905 CB VAL A 114 -31.240 -11.386 5.415 1.00 45.88 C ATOM 906 CG1 VAL A 114 -31.206 -12.386 6.591 1.00 45.98 C ATOM 907 CG2 VAL A 114 -32.431 -10.450 5.516 1.00 42.07 C ATOM 908 H VAL A 114 -30.435 -9.840 3.348 1.00 0.00 H ATOM 909 N ARG A 115 -27.657 -11.458 5.854 1.00 59.71 N ATOM 910 CA ARG A 115 -26.479 -12.314 5.684 1.00 65.83 C ATOM 911 C ARG A 115 -25.684 -12.476 6.964 1.00 79.38 C ATOM 912 O ARG A 115 -25.840 -11.671 7.884 1.00 77.62 O ATOM 913 CB ARG A 115 -25.563 -11.746 4.574 1.00 66.07 C ATOM 914 CG ARG A 115 -24.980 -10.358 4.884 1.00 70.45 C ATOM 915 CD ARG A 115 -24.015 -9.863 3.822 1.00 78.46 C ATOM 916 NE ARG A 115 -24.683 -9.572 2.549 1.00 79.83 N ATOM 917 CZ ARG A 115 -24.300 -8.618 1.706 1.00 95.18 C ATOM 918 NH1 ARG A 115 -23.256 -7.849 1.990 1.00 89.19 N ATOM 919 NH2 ARG A 115 -24.959 -8.427 0.569 1.00 76.09 N ATOM 920 HE ARG A 115 -25.509 -10.149 2.289 1.00 0.00 H ATOM 921 HH12 ARG A 115 -22.962 -7.105 1.326 1.00 0.00 H ATOM 922 HH11 ARG A 115 -22.732 -7.991 2.877 1.00 0.00 H ATOM 923 HH22 ARG A 115 -24.657 -7.680 -0.088 1.00 0.00 H ATOM 924 HH21 ARG A 115 -25.778 -9.025 0.336 1.00 0.00 H ATOM 925 H ARG A 115 -27.642 -10.725 6.592 1.00 0.00 H ATOM 926 N GLY A 116 -24.791 -13.473 6.973 1.00 85.54 N ATOM 927 CA GLY A 116 -23.860 -13.737 8.071 1.00 90.87 C ATOM 928 C GLY A 116 -24.391 -14.527 9.251 1.00 98.74 C ATOM 929 O GLY A 116 -25.601 -14.760 9.361 1.00 96.56 O ATOM 930 H GLY A 116 -24.756 -14.102 6.145 1.00 0.00 H ATOM 931 N ASP A 117 -23.457 -14.925 10.150 1.00100.05 N ATOM 932 CA ASP A 117 -23.653 -15.704 11.379 1.00102.20 C ATOM 933 C ASP A 117 -24.832 -15.226 12.252 1.00104.13 C ATOM 934 O ASP A 117 -24.998 -14.018 12.473 1.00100.41 O ATOM 935 CB ASP A 117 -22.339 -15.745 12.189 1.00108.60 C ATOM 936 CG ASP A 117 -22.445 -16.387 13.558 1.00116.58 C ATOM 937 OD1 ASP A 117 -22.547 -17.627 13.625 1.00118.12 O ATOM 938 OD2 ASP A 117 -22.433 -15.645 14.563 1.00122.11 O ATOM 939 H ASP A 117 -22.478 -14.643 9.943 1.00 0.00 H ATOM 940 N LEU A 118 -25.647 -16.204 12.738 1.00102.78 N ATOM 941 CA LEU A 118 -26.844 -16.051 13.587 1.00100.80 C ATOM 942 C LEU A 118 -27.999 -15.325 12.882 1.00100.71 C ATOM 943 O LEU A 118 -29.159 -15.551 13.241 1.00 99.48 O ATOM 944 CB LEU A 118 -26.544 -15.409 14.966 1.00101.96 C ATOM 945 CG LEU A 118 -25.773 -16.273 15.977 1.00112.37 C ATOM 946 CD1 LEU A 118 -24.933 -15.412 16.899 1.00114.06 C ATOM 947 CD2 LEU A 118 -26.711 -17.165 16.789 1.00116.12 C ATOM 948 H LEU A 118 -25.394 -17.179 12.478 1.00 0.00 H ATOM 949 N ASN A 119 -27.682 -14.510 11.882 1.00 94.65 N ATOM 950 CA ASN A 119 -28.699 -13.827 11.094 1.00 89.17 C ATOM 951 C ASN A 119 -29.588 -14.814 10.353 1.00 90.12 C ATOM 952 O ASN A 119 -29.339 -15.147 9.197 1.00 89.02 O ATOM 953 CB ASN A 119 -28.051 -12.858 10.110 1.00 88.45 C ATOM 954 CG ASN A 119 -27.104 -11.892 10.788 1.00119.86 C ATOM 955 OD1 ASN A 119 -27.202 -11.654 11.991 1.00115.26 O ATOM 956 ND2 ASN A 119 -26.178 -11.332 10.021 1.00115.16 N ATOM 957 HD22 ASN A 119 -26.133 -11.563 9.008 1.00 0.00 H ATOM 958 HD21 ASN A 119 -25.497 -10.662 10.433 1.00 0.00 H ATOM 959 H ASN A 119 -26.679 -14.355 11.655 1.00 0.00 H ATOM 960 N PHE A 120 -30.620 -15.286 11.038 1.00 85.65 N ATOM 961 CA PHE A 120 -31.541 -16.257 10.471 1.00 85.44 C ATOM 962 C PHE A 120 -32.974 -15.931 10.866 1.00 88.83 C ATOM 963 O PHE A 120 -33.212 -15.231 11.848 1.00 87.47 O ATOM 964 CB PHE A 120 -31.172 -17.672 10.916 1.00 90.90 C ATOM 965 CG PHE A 120 -29.942 -18.213 10.249 1.00 95.16 C ATOM 966 CD1 PHE A 120 -30.025 -18.843 9.020 1.00 98.44 C ATOM 967 CD2 PHE A 120 -28.700 -18.089 10.848 1.00 99.83 C ATOM 968 CE1 PHE A 120 -28.893 -19.341 8.403 1.00102.51 C ATOM 969 CE2 PHE A 120 -27.565 -18.584 10.236 1.00105.97 C ATOM 970 CZ PHE A 120 -27.662 -19.211 9.011 1.00104.34 C ATOM 971 H PHE A 120 -30.775 -14.951 12.010 1.00 0.00 H ATOM 972 N VAL A 121 -33.926 -16.434 10.090 1.00 85.78 N ATOM 973 CA VAL A 121 -35.335 -16.187 10.360 1.00 84.12 C ATOM 974 C VAL A 121 -36.062 -17.466 10.752 1.00 91.45 C ATOM 975 O VAL A 121 -35.949 -18.486 10.077 1.00 92.32 O ATOM 976 CB VAL A 121 -36.044 -15.568 9.143 1.00 84.65 C ATOM 977 CG1 VAL A 121 -37.531 -15.411 9.421 1.00 83.57 C ATOM 978 CG2 VAL A 121 -35.410 -14.235 8.779 1.00 81.75 C ATOM 979 H VAL A 121 -33.660 -17.017 9.271 1.00 0.00 H ATOM 980 N ASN A 122 -36.807 -17.398 11.851 1.00 89.26 N ATOM 981 CA ASN A 122 -37.590 -18.526 12.333 1.00124.39 C ATOM 982 C ASN A 122 -38.269 -19.292 11.207 1.00138.84 C ATOM 983 O ASN A 122 -39.457 -19.110 10.954 1.00 91.96 O ATOM 984 CB ASN A 122 -38.639 -18.050 13.335 1.00126.27 C ATOM 985 CG ASN A 122 -38.084 -17.912 14.736 1.00154.99 C ATOM 986 OD1 ASN A 122 -38.353 -18.740 15.607 1.00150.55 O ATOM 987 ND2 ASN A 122 -37.303 -16.861 14.962 1.00148.56 N ATOM 988 HD22 ASN A 122 -37.103 -16.187 14.195 1.00 0.00 H ATOM 989 HD21 ASN A 122 -36.892 -16.712 15.905 1.00 0.00 H ATOM 990 H ASN A 122 -36.831 -16.506 12.386 1.00 0.00 H TER 991 ASN A 122 ATOM 992 N LEU A 128 -47.184 -16.546 11.754 1.00 81.14 N ATOM 993 CA LEU A 128 -45.791 -16.104 11.790 1.00 77.50 C ATOM 994 C LEU A 128 -45.421 -15.351 10.495 1.00 75.68 C ATOM 995 O LEU A 128 -45.307 -15.981 9.436 1.00 75.55 O ATOM 996 CB LEU A 128 -44.856 -17.314 12.025 1.00 78.95 C ATOM 997 CG LEU A 128 -43.813 -17.234 13.163 1.00 84.60 C ATOM 998 CD1 LEU A 128 -42.799 -16.105 12.945 1.00 81.56 C ATOM 999 CD2 LEU A 128 -44.469 -17.155 14.540 1.00 90.15 C ATOM 1000 HN3 LEU A 128 -47.323 -17.183 10.944 1.00 0.00 H ATOM 1001 HN2 LEU A 128 -47.807 -15.719 11.657 1.00 0.00 H ATOM 1002 HN1 LEU A 128 -47.409 -17.050 12.635 1.00 0.00 H ATOM 1003 N ASN A 129 -45.273 -13.993 10.585 1.00 67.05 N ATOM 1004 CA ASN A 129 -44.961 -13.111 9.462 1.00 62.22 C ATOM 1005 C ASN A 129 -43.456 -12.807 9.290 1.00 59.38 C ATOM 1006 O ASN A 129 -42.802 -12.284 10.204 1.00 57.75 O ATOM 1007 CB ASN A 129 -45.775 -11.819 9.510 1.00 63.37 C ATOM 1008 CG ASN A 129 -45.570 -10.903 8.316 1.00 63.45 C ATOM 1009 OD1 ASN A 129 -45.020 -9.791 8.405 1.00 58.94 O ATOM 1010 ND2 ASN A 129 -45.990 -11.373 7.170 1.00 45.23 N ATOM 1011 HD22 ASN A 129 -46.446 -12.306 7.127 1.00 0.00 H ATOM 1012 HD21 ASN A 129 -45.868 -10.813 6.302 1.00 0.00 H ATOM 1013 H ASN A 129 -45.391 -13.557 11.522 1.00 0.00 H ATOM 1014 N PRO A 130 -42.935 -13.086 8.066 1.00 51.40 N ATOM 1015 CA PRO A 130 -41.502 -12.868 7.789 1.00 47.89 C ATOM 1016 C PRO A 130 -41.092 -11.407 7.562 1.00 45.91 C ATOM 1017 O PRO A 130 -39.924 -11.055 7.778 1.00 41.24 O ATOM 1018 CB PRO A 130 -41.258 -13.745 6.566 1.00 50.43 C ATOM 1019 CG PRO A 130 -42.566 -13.739 5.863 1.00 56.72 C ATOM 1020 CD PRO A 130 -43.621 -13.696 6.906 1.00 53.34 C ATOM 1021 N MET A 131 -42.058 -10.563 7.116 1.00 43.06 N ATOM 1022 CA MET A 131 -41.908 -9.116 6.911 1.00 40.78 C ATOM 1023 C MET A 131 -41.535 -8.419 8.243 1.00 43.23 C ATOM 1024 O MET A 131 -40.679 -7.540 8.268 1.00 41.13 O ATOM 1025 CB MET A 131 -43.212 -8.511 6.347 1.00 43.78 C ATOM 1026 CG MET A 131 -43.514 -8.886 4.902 1.00 47.59 C ATOM 1027 SD MET A 131 -42.370 -8.158 3.701 1.00 49.61 S ATOM 1028 CE MET A 131 -42.747 -6.419 3.878 1.00 44.57 C ATOM 1029 H MET A 131 -42.987 -10.978 6.900 1.00 0.00 H ATOM 1030 N HIS A 132 -42.161 -8.831 9.338 1.00 42.64 N ATOM 1031 CA HIS A 132 -41.854 -8.306 10.669 1.00 44.59 C ATOM 1032 C HIS A 132 -40.456 -8.779 11.175 1.00 47.30 C ATOM 1033 O HIS A 132 -39.784 -8.057 11.914 1.00 45.74 O ATOM 1034 CB HIS A 132 -42.963 -8.694 11.652 1.00 48.76 C ATOM 1035 CG HIS A 132 -44.181 -7.829 11.537 1.00 53.58 C ATOM 1036 ND1 HIS A 132 -45.364 -8.316 10.997 1.00 54.79 N ATOM 1037 CD2 HIS A 132 -44.352 -6.522 11.857 1.00 57.16 C ATOM 1038 CE1 HIS A 132 -46.209 -7.298 11.019 1.00 55.54 C ATOM 1039 NE2 HIS A 132 -45.651 -6.201 11.532 1.00 57.32 N ATOM 1040 H HIS A 132 -42.900 -9.557 9.247 1.00 0.00 H ATOM 1041 N GLN A 133 -40.020 -9.978 10.748 1.00 43.79 N ATOM 1042 CA GLN A 133 -38.714 -10.503 11.108 1.00 43.61 C ATOM 1043 C GLN A 133 -37.637 -9.724 10.391 1.00 44.19 C ATOM 1044 O GLN A 133 -36.630 -9.356 11.005 1.00 44.90 O ATOM 1045 CB GLN A 133 -38.616 -12.007 10.803 1.00 46.65 C ATOM 1046 CG GLN A 133 -39.163 -12.889 11.915 1.00 66.51 C ATOM 1047 CD GLN A 133 -38.289 -12.812 13.136 1.00 81.07 C ATOM 1048 OE1 GLN A 133 -37.174 -13.345 13.160 1.00 79.97 O ATOM 1049 NE2 GLN A 133 -38.759 -12.092 14.149 1.00 65.60 N ATOM 1050 HE22 GLN A 133 -39.703 -11.661 14.087 1.00 0.00 H ATOM 1051 HE21 GLN A 133 -38.182 -11.959 15.004 1.00 0.00 H ATOM 1052 H GLN A 133 -40.640 -10.549 10.139 1.00 0.00 H ATOM 1053 N LEU A 134 -37.872 -9.438 9.096 1.00 38.49 N ATOM 1054 CA LEU A 134 -36.997 -8.654 8.222 1.00 36.77 C ATOM 1055 C LEU A 134 -36.776 -7.280 8.843 1.00 38.48 C ATOM 1056 O LEU A 134 -35.640 -6.844 8.978 1.00 38.67 O ATOM 1057 CB LEU A 134 -37.685 -8.504 6.857 1.00 36.59 C ATOM 1058 CG LEU A 134 -37.938 -9.741 5.980 1.00 41.93 C ATOM 1059 CD1 LEU A 134 -38.746 -9.443 4.745 1.00 42.21 C ATOM 1060 CD2 LEU A 134 -36.640 -10.468 5.676 1.00 46.24 C ATOM 1061 H LEU A 134 -38.752 -9.806 8.681 1.00 0.00 H ATOM 1062 N LEU A 135 -37.855 -6.628 9.272 1.00 35.13 N ATOM 1063 CA LEU A 135 -37.798 -5.329 9.918 1.00 36.09 C ATOM 1064 C LEU A 135 -36.956 -5.374 11.210 1.00 42.32 C ATOM 1065 O LEU A 135 -35.987 -4.626 11.296 1.00 42.17 O ATOM 1066 CB LEU A 135 -39.219 -4.769 10.155 1.00 36.50 C ATOM 1067 CG LEU A 135 -39.353 -3.369 10.742 1.00 38.37 C ATOM 1068 CD1 LEU A 135 -38.749 -2.351 9.845 1.00 36.05 C ATOM 1069 CD2 LEU A 135 -40.789 -3.039 10.933 1.00 41.25 C ATOM 1070 H LEU A 135 -38.786 -7.072 9.137 1.00 0.00 H ATOM 1071 N ARG A 136 -37.269 -6.280 12.159 1.00 41.26 N ATOM 1072 CA ARG A 136 -36.483 -6.462 13.397 1.00 43.44 C ATOM 1073 C ARG A 136 -34.978 -6.595 13.103 1.00 46.89 C ATOM 1074 O ARG A 136 -34.179 -5.884 13.711 1.00 49.19 O ATOM 1075 CB ARG A 136 -36.976 -7.667 14.214 1.00 44.35 C ATOM 1076 H ARG A 136 -38.105 -6.880 12.012 1.00 0.00 H ATOM 1077 N HIS A 137 -34.615 -7.421 12.112 1.00 39.68 N ATOM 1078 CA HIS A 137 -33.239 -7.641 11.668 1.00 39.60 C ATOM 1079 C HIS A 137 -32.520 -6.339 11.251 1.00 42.02 C ATOM 1080 O HIS A 137 -31.439 -6.047 11.755 1.00 43.28 O ATOM 1081 CB HIS A 137 -33.207 -8.701 10.530 1.00 40.34 C ATOM 1082 CG HIS A 137 -31.819 -9.068 10.100 1.00 44.47 C ATOM 1083 ND1 HIS A 137 -31.219 -8.461 9.004 1.00 45.13 N ATOM 1084 CD2 HIS A 137 -30.925 -9.894 10.686 1.00 47.82 C ATOM 1085 CE1 HIS A 137 -29.995 -8.962 8.941 1.00 46.06 C ATOM 1086 NE2 HIS A 137 -29.769 -9.823 9.929 1.00 48.39 N ATOM 1087 H HIS A 137 -35.368 -7.945 11.622 1.00 0.00 H ATOM 1088 N PHE A 138 -33.135 -5.553 10.360 1.00 37.01 N ATOM 1089 CA PHE A 138 -32.584 -4.284 9.872 1.00 35.30 C ATOM 1090 C PHE A 138 -32.675 -3.143 10.904 1.00 41.20 C ATOM 1091 O PHE A 138 -31.825 -2.257 10.888 1.00 42.15 O ATOM 1092 CB PHE A 138 -33.202 -3.917 8.522 1.00 34.34 C ATOM 1093 CG PHE A 138 -32.853 -4.955 7.487 1.00 35.28 C ATOM 1094 CD1 PHE A 138 -31.526 -5.329 7.270 1.00 39.22 C ATOM 1095 CD2 PHE A 138 -33.846 -5.589 6.755 1.00 36.34 C ATOM 1096 CE1 PHE A 138 -31.201 -6.309 6.334 1.00 40.74 C ATOM 1097 CE2 PHE A 138 -33.520 -6.576 5.816 1.00 39.99 C ATOM 1098 CZ PHE A 138 -32.201 -6.931 5.616 1.00 39.34 C ATOM 1099 H PHE A 138 -34.058 -5.860 9.992 1.00 0.00 H ATOM 1100 N GLN A 139 -33.630 -3.212 11.847 1.00 38.65 N ATOM 1101 CA GLN A 139 -33.741 -2.253 12.948 1.00 39.51 C ATOM 1102 C GLN A 139 -32.522 -2.370 13.842 1.00 45.16 C ATOM 1103 O GLN A 139 -31.931 -1.351 14.165 1.00 46.00 O ATOM 1104 CB GLN A 139 -35.052 -2.433 13.739 1.00 41.81 C ATOM 1105 CG GLN A 139 -36.232 -1.791 12.991 1.00 47.08 C ATOM 1106 CD GLN A 139 -37.581 -1.863 13.676 1.00 72.98 C ATOM 1107 OE1 GLN A 139 -37.982 -2.876 14.293 1.00 67.09 O ATOM 1108 NE2 GLN A 139 -38.347 -0.796 13.499 1.00 70.42 N ATOM 1109 HE22 GLN A 139 -37.980 0.028 12.981 1.00 0.00 H ATOM 1110 HE21 GLN A 139 -39.315 -0.782 13.878 1.00 0.00 H ATOM 1111 H GLN A 139 -34.324 -3.984 11.792 1.00 0.00 H ATOM 1112 N LYS A 140 -32.081 -3.608 14.140 1.00 44.06 N ATOM 1113 CA LYS A 140 -30.872 -3.914 14.928 1.00 46.62 C ATOM 1114 C LYS A 140 -29.635 -3.310 14.260 1.00 56.85 C ATOM 1115 O LYS A 140 -28.879 -2.614 14.921 1.00 60.17 O ATOM 1116 CB LYS A 140 -30.681 -5.419 15.084 1.00 47.72 C ATOM 1117 CG LYS A 140 -31.705 -6.103 15.955 1.00 45.48 C ATOM 1118 CD LYS A 140 -31.187 -7.479 16.403 1.00 46.59 C ATOM 1119 CE LYS A 140 -32.242 -8.563 16.379 1.00 54.99 C ATOM 1120 NZ LYS A 140 -31.783 -9.806 17.082 1.00 72.15 N ATOM 1121 HZ1 LYS A 140 -30.929 -10.172 16.615 1.00 0.00 H ATOM 1122 HZ2 LYS A 140 -31.568 -9.582 18.075 1.00 0.00 H ATOM 1123 HZ3 LYS A 140 -32.535 -10.523 17.042 1.00 0.00 H ATOM 1124 H LYS A 140 -32.638 -4.412 13.786 1.00 0.00 H ATOM 1125 N ASP A 141 -29.454 -3.524 12.942 1.00 55.66 N ATOM 1126 CA ASP A 141 -28.328 -2.966 12.184 1.00 56.67 C ATOM 1127 C ASP A 141 -28.667 -2.859 10.717 1.00 56.23 C ATOM 1128 O ASP A 141 -28.897 -3.876 10.054 1.00 54.61 O ATOM 1129 CB ASP A 141 -27.029 -3.767 12.407 1.00 62.70 C ATOM 1130 CG ASP A 141 -25.847 -3.260 11.605 1.00 76.20 C ATOM 1131 OD1 ASP A 141 -25.458 -2.082 11.799 1.00 76.81 O ATOM 1132 OD2 ASP A 141 -25.318 -4.037 10.772 1.00 83.32 O ATOM 1133 H ASP A 141 -30.146 -4.114 12.437 1.00 0.00 H ATOM 1134 N ALA A 142 -28.693 -1.605 10.225 1.00 51.73 N ATOM 1135 CA ALA A 142 -29.027 -1.200 8.858 1.00 49.84 C ATOM 1136 C ALA A 142 -27.804 -0.943 7.955 1.00 55.71 C ATOM 1137 O ALA A 142 -27.974 -0.554 6.792 1.00 55.61 O ATOM 1138 CB ALA A 142 -29.897 0.043 8.907 1.00 49.22 C ATOM 1139 H ALA A 142 -28.449 -0.842 10.888 1.00 0.00 H ATOM 1140 N LYS A 143 -26.587 -1.179 8.481 1.00 53.28 N ATOM 1141 CA LYS A 143 -25.323 -0.972 7.790 1.00 54.50 C ATOM 1142 C LYS A 143 -25.215 -1.781 6.487 1.00 56.47 C ATOM 1143 O LYS A 143 -24.992 -1.180 5.433 1.00 56.45 O ATOM 1144 CB LYS A 143 -24.138 -1.233 8.744 1.00 61.05 C ATOM 1145 CG LYS A 143 -22.970 -0.259 8.591 1.00 76.26 C ATOM 1146 CD LYS A 143 -21.835 -0.596 9.548 1.00 89.88 C ATOM 1147 CE LYS A 143 -20.527 0.069 9.167 1.00104.74 C ATOM 1148 NZ LYS A 143 -19.817 -0.652 8.073 1.00113.24 N ATOM 1149 HZ1 LYS A 143 -19.606 -1.623 8.380 1.00 0.00 H ATOM 1150 HZ2 LYS A 143 -20.422 -0.678 7.227 1.00 0.00 H ATOM 1151 HZ3 LYS A 143 -18.930 -0.156 7.851 1.00 0.00 H ATOM 1152 H LYS A 143 -26.547 -1.537 9.457 1.00 0.00 H ATOM 1153 N VAL A 144 -25.421 -3.120 6.547 1.00 51.33 N ATOM 1154 CA VAL A 144 -25.372 -4.007 5.367 1.00 50.70 C ATOM 1155 C VAL A 144 -26.530 -3.652 4.425 1.00 53.03 C ATOM 1156 O VAL A 144 -26.317 -3.574 3.217 1.00 53.11 O ATOM 1157 CB VAL A 144 -25.333 -5.530 5.726 1.00 54.17 C ATOM 1158 CG1 VAL A 144 -25.295 -6.405 4.476 1.00 54.06 C ATOM 1159 CG2 VAL A 144 -24.156 -5.857 6.637 1.00 56.77 C ATOM 1160 H VAL A 144 -25.624 -3.545 7.474 1.00 0.00 H ATOM 1161 N LEU A 145 -27.739 -3.385 4.988 1.00 48.22 N ATOM 1162 CA LEU A 145 -28.920 -2.965 4.217 1.00 45.52 C ATOM 1163 C LEU A 145 -28.667 -1.700 3.381 1.00 49.04 C ATOM 1164 O LEU A 145 -28.839 -1.757 2.165 1.00 48.40 O ATOM 1165 CB LEU A 145 -30.162 -2.777 5.110 1.00 42.96 C ATOM 1166 CG LEU A 145 -31.410 -2.220 4.397 1.00 44.97 C ATOM 1167 CD1 LEU A 145 -31.907 -3.168 3.320 1.00 44.18 C ATOM 1168 CD2 LEU A 145 -32.506 -1.855 5.394 1.00 45.18 C ATOM 1169 H LEU A 145 -27.834 -3.483 6.019 1.00 0.00 H ATOM 1170 N PHE A 146 -28.283 -0.566 4.034 1.00 45.59 N ATOM 1171 CA PHE A 146 -28.021 0.709 3.361 1.00 45.60 C ATOM 1172 C PHE A 146 -26.846 0.622 2.379 1.00 55.23 C ATOM 1173 O PHE A 146 -26.990 1.042 1.227 1.00 56.46 O ATOM 1174 CB PHE A 146 -27.809 1.837 4.389 1.00 46.76 C ATOM 1175 CG PHE A 146 -29.025 2.329 5.149 1.00 44.62 C ATOM 1176 CD1 PHE A 146 -30.288 1.788 4.911 1.00 45.02 C ATOM 1177 CD2 PHE A 146 -28.904 3.317 6.114 1.00 44.94 C ATOM 1178 CE1 PHE A 146 -31.400 2.216 5.644 1.00 43.44 C ATOM 1179 CE2 PHE A 146 -30.018 3.753 6.831 1.00 45.94 C ATOM 1180 CZ PHE A 146 -31.262 3.205 6.582 1.00 42.33 C ATOM 1181 H PHE A 146 -28.170 -0.608 5.067 1.00 0.00 H ATOM 1182 N GLN A 147 -25.715 0.017 2.798 1.00 55.17 N ATOM 1183 CA GLN A 147 -24.549 -0.144 1.927 1.00 59.30 C ATOM 1184 C GLN A 147 -24.789 -1.072 0.733 1.00 67.08 C ATOM 1185 O GLN A 147 -24.180 -0.861 -0.323 1.00 71.16 O ATOM 1186 CB GLN A 147 -23.322 -0.602 2.720 1.00 63.42 C ATOM 1187 CG GLN A 147 -22.610 0.527 3.469 1.00 78.51 C ATOM 1188 CD GLN A 147 -21.472 0.017 4.320 1.00106.21 C ATOM 1189 OE1 GLN A 147 -21.579 -0.061 5.543 1.00104.18 O ATOM 1190 NE2 GLN A 147 -20.349 -0.332 3.701 1.00102.86 N ATOM 1191 HE22 GLN A 147 -20.281 -0.258 2.666 1.00 0.00 H ATOM 1192 HE21 GLN A 147 -19.538 -0.679 4.252 1.00 0.00 H ATOM 1193 H GLN A 147 -25.670 -0.347 3.771 1.00 0.00 H ATOM 1194 N ASN A 148 -25.660 -2.098 0.897 1.00 61.82 N ATOM 1195 CA ASN A 148 -25.976 -3.080 -0.151 1.00 62.47 C ATOM 1196 C ASN A 148 -27.174 -2.659 -1.028 1.00 61.98 C ATOM 1197 O ASN A 148 -27.454 -3.298 -2.038 1.00 63.72 O ATOM 1198 CB ASN A 148 -26.175 -4.483 0.475 1.00 66.58 C ATOM 1199 CG ASN A 148 -26.199 -5.668 -0.474 1.00 98.27 C ATOM 1200 OD1 ASN A 148 -27.146 -6.476 -0.470 1.00 80.76 O ATOM 1201 ND2 ASN A 148 -25.125 -5.854 -1.246 1.00101.73 N ATOM 1202 HD22 ASN A 148 -24.347 -5.163 -1.230 1.00 0.00 H ATOM 1203 HD21 ASN A 148 -25.066 -6.689 -1.863 1.00 0.00 H ATOM 1204 H ASN A 148 -26.132 -2.196 1.818 1.00 0.00 H ATOM 1205 N TRP A 149 -27.848 -1.572 -0.661 1.00 54.53 N ATOM 1206 CA TRP A 149 -29.010 -1.020 -1.369 1.00 52.34 C ATOM 1207 C TRP A 149 -28.593 -0.356 -2.681 1.00 60.48 C ATOM 1208 O TRP A 149 -29.350 -0.392 -3.654 1.00 61.53 O ATOM 1209 CB TRP A 149 -29.773 -0.007 -0.458 1.00 46.92 C ATOM 1210 CG TRP A 149 -30.983 0.618 -1.098 1.00 45.88 C ATOM 1211 CD1 TRP A 149 -31.031 1.802 -1.770 1.00 49.37 C ATOM 1212 CD2 TRP A 149 -32.320 0.083 -1.129 1.00 43.81 C ATOM 1213 NE1 TRP A 149 -32.313 2.048 -2.210 1.00 47.59 N ATOM 1214 CE2 TRP A 149 -33.125 1.009 -1.834 1.00 47.30 C ATOM 1215 CE3 TRP A 149 -32.922 -1.079 -0.609 1.00 43.36 C ATOM 1216 CZ2 TRP A 149 -34.501 0.808 -2.039 1.00 45.21 C ATOM 1217 CZ3 TRP A 149 -34.273 -1.288 -0.837 1.00 43.94 C ATOM 1218 CH2 TRP A 149 -35.054 -0.338 -1.523 1.00 44.66 C ATOM 1219 HE1 TRP A 149 -32.617 2.888 -2.743 1.00 0.00 H ATOM 1220 H TRP A 149 -27.527 -1.075 0.194 1.00 0.00 H ATOM 1221 N GLY A 150 -27.417 0.272 -2.674 1.00 59.67 N ATOM 1222 CA GLY A 150 -26.871 0.998 -3.817 1.00 62.96 C ATOM 1223 C GLY A 150 -26.927 2.508 -3.655 1.00 66.89 C ATOM 1224 O GLY A 150 -27.666 3.020 -2.805 1.00 62.66 O ATOM 1225 H GLY A 150 -26.854 0.243 -1.800 1.00 0.00 H ATOM 1226 N ILE A 151 -26.103 3.233 -4.450 1.00 67.46 N ATOM 1227 CA ILE A 151 -26.042 4.697 -4.437 1.00 67.69 C ATOM 1228 C ILE A 151 -26.200 5.249 -5.850 1.00 75.27 C ATOM 1229 O ILE A 151 -25.780 4.602 -6.808 1.00 78.38 O ATOM 1230 CB ILE A 151 -24.818 5.299 -3.682 1.00 72.42 C ATOM 1231 CG1 ILE A 151 -23.464 4.945 -4.348 1.00 77.63 C ATOM 1232 CG2 ILE A 151 -24.832 4.926 -2.190 1.00 70.38 C ATOM 1233 CD1 ILE A 151 -22.319 5.978 -4.082 1.00 86.41 C ATOM 1234 H ILE A 151 -25.479 2.722 -5.106 1.00 0.00 H ATOM 1235 N GLU A 152 -26.824 6.436 -5.977 1.00 71.88 N ATOM 1236 CA GLU A 152 -27.060 7.115 -7.259 1.00 74.72 C ATOM 1237 C GLU A 152 -26.753 8.615 -7.190 1.00 81.18 C ATOM 1238 O GLU A 152 -26.860 9.216 -6.122 1.00 76.36 O ATOM 1239 CB GLU A 152 -28.508 6.887 -7.752 1.00 74.28 C ATOM 1240 CG GLU A 152 -29.576 7.631 -6.960 1.00 76.16 C ATOM 1241 CD GLU A 152 -31.034 7.409 -7.312 1.00 89.98 C ATOM 1242 OE1 GLU A 152 -31.345 6.503 -8.120 1.00 89.48 O ATOM 1243 OE2 GLU A 152 -31.879 8.132 -6.739 1.00 81.33 O ATOM 1244 H GLU A 152 -27.161 6.903 -5.111 1.00 0.00 H ATOM 1245 N HIS A 153 -26.385 9.176 -8.332 1.00 85.86 N ATOM 1246 CA HIS A 153 -26.205 10.597 -8.541 1.00 89.35 C ATOM 1247 C HIS A 153 -27.533 11.297 -8.581 1.00 92.54 C ATOM 1248 O HIS A 153 -28.469 10.800 -9.170 1.00 91.74 O ATOM 1249 CB HIS A 153 -25.510 10.817 -9.867 1.00 97.10 C ATOM 1250 CG HIS A 153 -24.029 10.683 -9.794 1.00104.15 C ATOM 1251 ND1 HIS A 153 -23.389 9.470 -9.870 1.00106.80 N ATOM 1252 CD2 HIS A 153 -23.060 11.609 -9.634 1.00109.23 C ATOM 1253 CE1 HIS A 153 -22.088 9.653 -9.765 1.00109.62 C ATOM 1254 NE2 HIS A 153 -21.863 10.943 -9.621 1.00111.58 N ATOM 1255 H HIS A 153 -26.212 8.547 -9.142 1.00 0.00 H ATOM 1256 N ILE A 154 -27.618 12.462 -7.956 1.00 89.11 N ATOM 1257 CA ILE A 154 -28.887 13.168 -7.874 1.00 87.97 C ATOM 1258 C ILE A 154 -28.857 14.507 -8.595 1.00 97.57 C ATOM 1259 O ILE A 154 -27.937 15.300 -8.415 1.00100.51 O ATOM 1260 CB ILE A 154 -29.328 13.392 -6.412 1.00 86.52 C ATOM 1261 CG1 ILE A 154 -28.113 13.517 -5.489 1.00 87.14 C ATOM 1262 CG2 ILE A 154 -30.239 12.265 -5.952 1.00 84.19 C ATOM 1263 CD1 ILE A 154 -28.156 14.726 -4.583 1.00 87.30 C ATOM 1264 H ILE A 154 -26.769 12.876 -7.520 1.00 0.00 H ATOM 1265 N ASP A 155 -29.870 14.753 -9.416 1.00 95.13 N ATOM 1266 CA ASP A 155 -30.015 16.050 -10.045 1.00 99.42 C ATOM 1267 C ASP A 155 -30.253 17.043 -8.926 1.00103.04 C ATOM 1268 O ASP A 155 -30.962 16.742 -7.971 1.00 98.72 O ATOM 1269 CB ASP A 155 -31.200 16.055 -11.009 1.00102.48 C ATOM 1270 CG ASP A 155 -31.322 14.765 -11.787 1.00112.52 C ATOM 1271 OD1 ASP A 155 -30.277 14.166 -12.111 1.00116.69 O ATOM 1272 OD2 ASP A 155 -32.463 14.350 -12.075 1.00115.02 O ATOM 1273 H ASP A 155 -30.568 14.006 -9.610 1.00 0.00 H ATOM 1274 N ASN A 156 -29.663 18.226 -9.034 1.00103.87 N ATOM 1275 CA ASN A 156 -29.797 19.203 -7.966 1.00104.54 C ATOM 1276 C ASN A 156 -31.241 19.633 -7.783 1.00104.61 C ATOM 1277 O ASN A 156 -31.956 19.888 -8.749 1.00103.40 O ATOM 1278 CB ASN A 156 -28.917 20.428 -8.230 1.00108.66 C ATOM 1279 CG ASN A 156 -29.022 21.467 -7.130 1.00121.73 C ATOM 1280 OD1 ASN A 156 -30.029 22.164 -7.013 1.00111.75 O ATOM 1281 ND2 ASN A 156 -27.980 21.572 -6.314 1.00112.04 N ATOM 1282 HD22 ASN A 156 -27.149 20.962 -6.450 1.00 0.00 H ATOM 1283 HD21 ASN A 156 -27.995 22.265 -5.538 1.00 0.00 H ATOM 1284 H ASN A 156 -29.105 18.454 -9.882 1.00 0.00 H ATOM 1285 N VAL A 157 -31.658 19.704 -6.528 1.00 98.84 N ATOM 1286 CA VAL A 157 -32.972 20.204 -6.160 1.00 94.77 C ATOM 1287 C VAL A 157 -32.808 20.954 -4.852 1.00 94.95 C ATOM 1288 O VAL A 157 -31.866 20.702 -4.102 1.00 91.98 O ATOM 1289 CB VAL A 157 -34.001 19.073 -5.992 1.00 95.30 C ATOM 1290 CG1 VAL A 157 -35.274 19.606 -5.356 1.00 93.76 C ATOM 1291 CG2 VAL A 157 -34.306 18.435 -7.337 1.00 97.15 C ATOM 1292 H VAL A 157 -31.017 19.388 -5.773 1.00 0.00 H ATOM 1293 N MET A 158 -33.718 21.876 -4.575 1.00 91.94 N ATOM 1294 CA MET A 158 -33.607 22.681 -3.370 1.00 89.67 C ATOM 1295 C MET A 158 -34.687 22.306 -2.367 1.00 91.03 C ATOM 1296 O MET A 158 -35.864 22.202 -2.708 1.00 91.27 O ATOM 1297 CB MET A 158 -33.653 24.173 -3.707 1.00 94.92 C ATOM 1298 CG MET A 158 -32.284 24.785 -3.960 1.00100.44 C ATOM 1299 SD MET A 158 -32.315 26.119 -5.170 1.00108.67 S ATOM 1300 CE MET A 158 -31.084 25.557 -6.340 1.00108.84 C ATOM 1301 H MET A 158 -34.517 22.025 -5.224 1.00 0.00 H ATOM 1302 N GLY A 159 -34.265 22.086 -1.129 1.00 84.59 N ATOM 1303 CA GLY A 159 -35.156 21.640 -0.077 1.00 81.53 C ATOM 1304 C GLY A 159 -35.303 20.134 -0.103 1.00 79.68 C ATOM 1305 O GLY A 159 -36.019 19.555 0.708 1.00 77.12 O ATOM 1306 H GLY A 159 -33.261 22.239 -0.906 1.00 0.00 H ATOM 1307 N MET A 160 -34.613 19.507 -1.048 1.00 73.96 N ATOM 1308 CA MET A 160 -34.514 18.059 -1.115 1.00 70.17 C ATOM 1309 C MET A 160 -33.042 17.690 -1.156 1.00 72.36 C ATOM 1310 O MET A 160 -32.285 18.244 -1.948 1.00 74.50 O ATOM 1311 CB MET A 160 -35.229 17.524 -2.351 1.00 73.17 C ATOM 1312 CG MET A 160 -36.078 16.295 -2.083 1.00 74.18 C ATOM 1313 SD MET A 160 -37.175 15.890 -3.450 1.00 80.09 S ATOM 1314 CE MET A 160 -38.757 16.335 -2.746 1.00 77.02 C ATOM 1315 H MET A 160 -34.124 20.075 -1.769 1.00 0.00 H ATOM 1316 N VAL A 161 -32.631 16.756 -0.308 1.00 65.01 N ATOM 1317 CA VAL A 161 -31.232 16.408 -0.224 1.00 64.20 C ATOM 1318 C VAL A 161 -31.035 14.910 -0.298 1.00 63.32 C ATOM 1319 O VAL A 161 -31.923 14.139 -0.049 1.00 60.08 O ATOM 1320 CB VAL A 161 -30.521 17.047 1.001 1.00 68.12 C ATOM 1321 CG1 VAL A 161 -31.193 18.333 1.390 1.00 70.79 C ATOM 1322 CG2 VAL A 161 -30.480 16.144 2.209 1.00 64.82 C ATOM 1323 H VAL A 161 -33.321 16.271 0.300 1.00 0.00 H ATOM 1324 N GLY A 162 -29.849 14.524 -0.686 1.00 59.08 N ATOM 1325 CA GLY A 162 -29.500 13.123 -0.755 1.00 56.86 C ATOM 1326 C GLY A 162 -28.998 12.644 0.586 1.00 58.33 C ATOM 1327 O GLY A 162 -28.558 13.429 1.435 1.00 57.50 O ATOM 1328 H GLY A 162 -29.142 15.239 -0.951 1.00 0.00 H ATOM 1329 N VAL A 163 -29.070 11.346 0.788 1.00 53.68 N ATOM 1330 CA VAL A 163 -28.611 10.766 2.030 1.00 51.95 C ATOM 1331 C VAL A 163 -27.782 9.509 1.691 1.00 55.18 C ATOM 1332 O VAL A 163 -28.176 8.685 0.860 1.00 53.92 O ATOM 1333 CB VAL A 163 -29.770 10.600 3.072 1.00 53.25 C ATOM 1334 CG1 VAL A 163 -30.809 9.560 2.667 1.00 51.60 C ATOM 1335 CG2 VAL A 163 -29.243 10.348 4.466 1.00 52.58 C ATOM 1336 H VAL A 163 -29.461 10.731 0.046 1.00 0.00 H ATOM 1337 N LEU A 164 -26.568 9.481 2.231 1.00 52.89 N ATOM 1338 CA LEU A 164 -25.563 8.436 2.079 1.00 54.92 C ATOM 1339 C LEU A 164 -25.871 7.241 3.037 1.00 56.28 C ATOM 1340 O LEU A 164 -26.569 7.450 4.043 1.00 53.67 O ATOM 1341 CB LEU A 164 -24.207 9.067 2.480 1.00 58.44 C ATOM 1342 CG LEU A 164 -23.202 9.475 1.400 1.00 67.30 C ATOM 1343 CD1 LEU A 164 -23.792 10.456 0.427 1.00 68.53 C ATOM 1344 CD2 LEU A 164 -21.985 10.117 2.028 1.00 72.06 C ATOM 1345 H LEU A 164 -26.307 10.293 2.827 1.00 0.00 H ATOM 1346 N PRO A 165 -25.277 6.024 2.822 1.00 52.07 N ATOM 1347 CA PRO A 165 -25.536 4.895 3.747 1.00 49.72 C ATOM 1348 C PRO A 165 -25.140 5.118 5.216 1.00 55.29 C ATOM 1349 O PRO A 165 -25.566 4.339 6.073 1.00 55.42 O ATOM 1350 CB PRO A 165 -24.769 3.731 3.118 1.00 52.79 C ATOM 1351 CG PRO A 165 -24.660 4.095 1.663 1.00 59.08 C ATOM 1352 CD PRO A 165 -24.440 5.585 1.686 1.00 55.86 C ATOM 1353 N ASP A 166 -24.370 6.179 5.524 1.00 52.38 N ATOM 1354 CA ASP A 166 -23.986 6.502 6.902 1.00 52.76 C ATOM 1355 C ASP A 166 -24.892 7.606 7.470 1.00 54.89 C ATOM 1356 O ASP A 166 -24.643 8.099 8.567 1.00 54.70 O ATOM 1357 CB ASP A 166 -22.508 6.907 6.981 1.00 58.20 C ATOM 1358 CG ASP A 166 -22.181 8.242 6.354 1.00 66.58 C ATOM 1359 OD1 ASP A 166 -22.788 8.575 5.315 1.00 65.21 O ATOM 1360 OD2 ASP A 166 -21.290 8.928 6.873 1.00 76.47 O ATOM 1361 H ASP A 166 -24.035 6.793 4.755 1.00 0.00 H ATOM 1362 N MET A 167 -25.950 7.967 6.704 1.00 49.59 N ATOM 1363 CA MET A 167 -26.979 8.972 7.003 1.00 47.84 C ATOM 1364 C MET A 167 -26.457 10.427 6.930 1.00 53.39 C ATOM 1365 O MET A 167 -27.069 11.339 7.486 1.00 53.29 O ATOM 1366 CB MET A 167 -27.717 8.687 8.325 1.00 48.78 C ATOM 1367 CG MET A 167 -28.691 7.529 8.248 1.00 49.53 C ATOM 1368 SD MET A 167 -29.924 7.694 6.934 1.00 51.28 S ATOM 1369 CE MET A 167 -30.972 8.998 7.595 1.00 47.40 C ATOM 1370 H MET A 167 -26.045 7.473 5.794 1.00 0.00 H ATOM 1371 N THR A 168 -25.388 10.642 6.154 1.00 51.34 N ATOM 1372 CA THR A 168 -24.777 11.946 5.932 1.00 52.81 C ATOM 1373 C THR A 168 -25.526 12.661 4.807 1.00 53.96 C ATOM 1374 O THR A 168 -25.749 12.054 3.757 1.00 50.44 O ATOM 1375 CB THR A 168 -23.256 11.780 5.687 1.00 63.79 C ATOM 1376 OG1 THR A 168 -22.618 11.517 6.936 1.00 65.15 O ATOM 1377 CG2 THR A 168 -22.609 12.997 5.038 1.00 65.67 C ATOM 1378 HG1 THR A 168 -22.989 10.686 7.326 1.00 0.00 H ATOM 1379 H THR A 168 -24.964 9.821 5.676 1.00 0.00 H ATOM 1380 N PRO A 169 -25.924 13.946 5.004 1.00 52.32 N ATOM 1381 CA PRO A 169 -26.585 14.679 3.910 1.00 53.14 C ATOM 1382 C PRO A 169 -25.579 14.963 2.790 1.00 62.04 C ATOM 1383 O PRO A 169 -24.393 15.156 3.072 1.00 65.19 O ATOM 1384 CB PRO A 169 -27.068 15.973 4.577 1.00 55.11 C ATOM 1385 CG PRO A 169 -26.842 15.795 6.046 1.00 59.02 C ATOM 1386 CD PRO A 169 -25.725 14.817 6.177 1.00 54.74 C ATOM 1387 N SER A 170 -26.026 14.924 1.528 1.00 58.51 N ATOM 1388 CA SER A 170 -25.143 15.160 0.386 1.00 62.08 C ATOM 1389 C SER A 170 -25.921 15.723 -0.767 1.00 68.45 C ATOM 1390 O SER A 170 -27.060 15.315 -1.007 1.00 65.50 O ATOM 1391 CB SER A 170 -24.430 13.876 -0.036 1.00 66.08 C ATOM 1392 OG SER A 170 -23.540 14.023 -1.133 1.00 76.05 O ATOM 1393 HG SER A 170 -23.124 13.148 -1.338 1.00 0.00 H ATOM 1394 H SER A 170 -27.031 14.720 1.355 1.00 0.00 H ATOM 1395 N THR A 171 -25.318 16.693 -1.459 1.00 70.21 N ATOM 1396 CA THR A 171 -25.929 17.304 -2.634 1.00 72.77 C ATOM 1397 C THR A 171 -25.532 16.530 -3.893 1.00 82.07 C ATOM 1398 O THR A 171 -26.226 16.628 -4.903 1.00 83.61 O ATOM 1399 CB THR A 171 -25.571 18.795 -2.732 1.00 79.77 C ATOM 1400 OG1 THR A 171 -24.166 18.963 -2.546 1.00 80.10 O ATOM 1401 CG2 THR A 171 -26.352 19.651 -1.745 1.00 73.69 C ATOM 1402 HG1 THR A 171 -23.679 18.460 -3.246 1.00 0.00 H ATOM 1403 H THR A 171 -24.382 17.024 -1.150 1.00 0.00 H ATOM 1404 N GLU A 172 -24.419 15.760 -3.826 1.00 81.18 N ATOM 1405 CA GLU A 172 -23.854 14.992 -4.939 1.00 84.31 C ATOM 1406 C GLU A 172 -24.485 13.622 -5.157 1.00 86.63 C ATOM 1407 O GLU A 172 -24.752 13.266 -6.309 1.00 88.64 O ATOM 1408 CB GLU A 172 -22.325 14.852 -4.797 1.00 89.11 C ATOM 1409 CG GLU A 172 -21.536 16.102 -5.161 1.00104.79 C ATOM 1410 CD GLU A 172 -21.576 17.249 -4.166 1.00131.19 C ATOM 1411 OE1 GLU A 172 -21.681 16.985 -2.945 1.00128.13 O ATOM 1412 OE2 GLU A 172 -21.496 18.417 -4.612 1.00128.49 O ATOM 1413 H GLU A 172 -23.926 15.710 -2.912 1.00 0.00 H ATOM 1414 N MET A 173 -24.684 12.835 -4.072 1.00 79.67 N ATOM 1415 CA MET A 173 -25.236 11.476 -4.153 1.00 76.93 C ATOM 1416 C MET A 173 -26.153 11.071 -3.006 1.00 74.31 C ATOM 1417 O MET A 173 -26.047 11.580 -1.890 1.00 71.92 O ATOM 1418 CB MET A 173 -24.107 10.441 -4.266 1.00 81.64 C ATOM 1419 CG MET A 173 -23.649 10.195 -5.678 1.00 90.35 C ATOM 1420 SD MET A 173 -21.969 9.558 -5.724 1.00 99.07 S ATOM 1421 CE MET A 173 -21.024 11.069 -5.298 1.00 98.56 C ATOM 1422 H MET A 173 -24.434 13.212 -3.136 1.00 0.00 H ATOM 1423 N SER A 174 -27.019 10.090 -3.288 1.00 67.83 N ATOM 1424 CA SER A 174 -27.950 9.519 -2.329 1.00 62.60 C ATOM 1425 C SER A 174 -28.091 8.008 -2.508 1.00 63.97 C ATOM 1426 O SER A 174 -27.654 7.452 -3.518 1.00 65.72 O ATOM 1427 CB SER A 174 -29.324 10.157 -2.482 1.00 63.18 C ATOM 1428 OG SER A 174 -30.115 9.817 -1.356 1.00 64.71 O ATOM 1429 HG SER A 174 -31.011 10.228 -1.447 1.00 0.00 H ATOM 1430 H SER A 174 -27.026 9.712 -4.257 1.00 0.00 H ATOM 1431 N MET A 175 -28.742 7.345 -1.528 1.00 55.27 N ATOM 1432 CA MET A 175 -29.069 5.930 -1.637 1.00 51.99 C ATOM 1433 C MET A 175 -30.172 5.889 -2.694 1.00 56.04 C ATOM 1434 O MET A 175 -31.024 6.787 -2.725 1.00 55.00 O ATOM 1435 CB MET A 175 -29.583 5.387 -0.300 1.00 50.20 C ATOM 1436 CG MET A 175 -28.504 5.148 0.707 1.00 52.29 C ATOM 1437 SD MET A 175 -29.151 4.316 2.167 1.00 52.58 S ATOM 1438 CE MET A 175 -29.753 5.713 3.136 1.00 47.26 C ATOM 1439 H MET A 175 -29.019 7.861 -0.668 1.00 0.00 H ATOM 1440 N ARG A 176 -30.111 4.905 -3.596 1.00 53.68 N ATOM 1441 CA ARG A 176 -31.045 4.739 -4.710 1.00 54.43 C ATOM 1442 C ARG A 176 -32.542 5.026 -4.367 1.00 55.26 C ATOM 1443 O ARG A 176 -33.157 4.343 -3.542 1.00 53.00 O ATOM 1444 CB ARG A 176 -30.870 3.348 -5.337 1.00 56.43 C ATOM 1445 CG ARG A 176 -31.778 3.081 -6.542 1.00 66.23 C ATOM 1446 CD ARG A 176 -31.560 1.708 -7.169 1.00 73.39 C ATOM 1447 NE ARG A 176 -31.311 0.636 -6.196 1.00 70.33 N ATOM 1448 CZ ARG A 176 -32.251 -0.051 -5.551 1.00 69.09 C ATOM 1449 NH1 ARG A 176 -33.539 0.219 -5.747 1.00 54.27 N ATOM 1450 NH2 ARG A 176 -31.914 -1.008 -4.704 1.00 43.37 N ATOM 1451 HE ARG A 176 -30.320 0.394 -5.995 1.00 0.00 H ATOM 1452 HH12 ARG A 176 -34.267 -0.323 -5.239 1.00 0.00 H ATOM 1453 HH11 ARG A 176 -33.818 0.972 -6.408 1.00 0.00 H ATOM 1454 HH22 ARG A 176 -32.652 -1.542 -4.202 1.00 0.00 H ATOM 1455 HH21 ARG A 176 -30.911 -1.227 -4.539 1.00 0.00 H ATOM 1456 H ARG A 176 -29.345 4.208 -3.499 1.00 0.00 H ATOM 1457 N GLY A 177 -33.079 6.056 -5.013 1.00 51.88 N ATOM 1458 CA GLY A 177 -34.470 6.476 -4.909 1.00 50.23 C ATOM 1459 C GLY A 177 -34.884 7.243 -3.673 1.00 51.12 C ATOM 1460 O GLY A 177 -36.037 7.673 -3.601 1.00 49.49 O ATOM 1461 H GLY A 177 -32.458 6.605 -5.641 1.00 0.00 H ATOM 1462 N ILE A 178 -33.953 7.439 -2.701 1.00 47.20 N ATOM 1463 CA ILE A 178 -34.182 8.104 -1.404 1.00 44.92 C ATOM 1464 C ILE A 178 -33.827 9.603 -1.413 1.00 51.74 C ATOM 1465 O ILE A 178 -32.707 9.987 -1.765 1.00 53.59 O ATOM 1466 CB ILE A 178 -33.418 7.366 -0.256 1.00 45.78 C ATOM 1467 CG1 ILE A 178 -33.431 5.810 -0.421 1.00 45.60 C ATOM 1468 CG2 ILE A 178 -33.892 7.804 1.146 1.00 43.25 C ATOM 1469 CD1 ILE A 178 -34.784 5.062 -0.250 1.00 53.62 C ATOM 1470 H ILE A 178 -32.992 7.088 -2.889 1.00 0.00 H ATOM 1471 N ARG A 179 -34.774 10.442 -1.000 1.00 47.87 N ATOM 1472 CA ARG A 179 -34.557 11.883 -0.862 1.00 49.53 C ATOM 1473 C ARG A 179 -35.026 12.326 0.529 1.00 53.08 C ATOM 1474 O ARG A 179 -36.015 11.797 1.047 1.00 52.77 O ATOM 1475 CB ARG A 179 -35.278 12.701 -1.959 1.00 52.26 C ATOM 1476 CG ARG A 179 -34.982 12.307 -3.401 1.00 60.88 C ATOM 1477 CD ARG A 179 -33.545 12.524 -3.827 1.00 75.42 C ATOM 1478 NE ARG A 179 -33.364 12.173 -5.239 1.00 91.29 N ATOM 1479 CZ ARG A 179 -32.829 11.037 -5.681 1.00 99.91 C ATOM 1480 NH1 ARG A 179 -32.365 10.134 -4.828 1.00 75.30 N ATOM 1481 NH2 ARG A 179 -32.707 10.818 -6.983 1.00 95.47 N ATOM 1482 HE ARG A 179 -33.678 12.865 -5.950 1.00 0.00 H ATOM 1483 HH12 ARG A 179 -31.949 9.249 -5.183 1.00 0.00 H ATOM 1484 HH11 ARG A 179 -32.417 10.310 -3.804 1.00 0.00 H ATOM 1485 HH22 ARG A 179 -32.288 9.929 -7.324 1.00 0.00 H ATOM 1486 HH21 ARG A 179 -33.030 11.535 -7.663 1.00 0.00 H ATOM 1487 H ARG A 179 -35.711 10.056 -0.765 1.00 0.00 H ATOM 1488 N VAL A 180 -34.305 13.274 1.136 1.00 49.17 N ATOM 1489 CA VAL A 180 -34.647 13.831 2.446 1.00 47.39 C ATOM 1490 C VAL A 180 -35.165 15.246 2.246 1.00 53.00 C ATOM 1491 O VAL A 180 -34.481 16.076 1.656 1.00 55.44 O ATOM 1492 CB VAL A 180 -33.496 13.732 3.497 1.00 49.66 C ATOM 1493 CG1 VAL A 180 -33.852 14.459 4.790 1.00 49.26 C ATOM 1494 CG2 VAL A 180 -33.150 12.274 3.794 1.00 47.75 C ATOM 1495 H VAL A 180 -33.458 13.634 0.653 1.00 0.00 H ATOM 1496 N SER A 181 -36.385 15.508 2.712 1.00 48.92 N ATOM 1497 CA SER A 181 -37.009 16.821 2.631 1.00 49.90 C ATOM 1498 C SER A 181 -37.075 17.430 4.030 1.00 55.73 C ATOM 1499 O SER A 181 -37.344 16.726 4.995 1.00 53.56 O ATOM 1500 CB SER A 181 -38.417 16.704 2.066 1.00 52.03 C ATOM 1501 OG SER A 181 -39.063 17.967 2.095 1.00 64.54 O ATOM 1502 HG SER A 181 -39.114 18.289 3.030 1.00 0.00 H ATOM 1503 H SER A 181 -36.920 14.735 3.157 1.00 0.00 H ATOM 1504 N LYS A 182 -36.907 18.746 4.113 1.00 56.48 N ATOM 1505 CA LYS A 182 -37.064 19.480 5.367 1.00 57.24 C ATOM 1506 C LYS A 182 -38.504 19.466 5.879 1.00 62.78 C ATOM 1507 O LYS A 182 -39.451 19.504 5.101 1.00 63.83 O ATOM 1508 CB LYS A 182 -36.611 20.929 5.200 1.00 60.46 C ATOM 1509 CG LYS A 182 -35.288 21.105 4.484 1.00 74.25 C ATOM 1510 CD LYS A 182 -35.322 22.334 3.594 1.00 89.35 C ATOM 1511 CE LYS A 182 -33.920 22.800 3.242 1.00103.03 C ATOM 1512 NZ LYS A 182 -33.939 23.939 2.283 1.00116.04 N ATOM 1513 HZ1 LYS A 182 -34.415 23.645 1.406 1.00 0.00 H ATOM 1514 HZ2 LYS A 182 -34.452 24.738 2.706 1.00 0.00 H ATOM 1515 HZ3 LYS A 182 -32.963 24.227 2.069 1.00 0.00 H ATOM 1516 H LYS A 182 -36.654 19.273 3.253 1.00 0.00 H ATOM 1517 N MET A 183 -38.653 19.421 7.197 1.00 59.33 N ATOM 1518 CA MET A 183 -39.965 19.449 7.849 1.00 87.86 C ATOM 1519 C MET A 183 -40.707 20.763 7.645 1.00102.04 C ATOM 1520 O MET A 183 -41.185 21.046 6.554 1.00 58.74 O ATOM 1521 CB MET A 183 -39.786 19.236 9.346 1.00 90.75 C ATOM 1522 CG MET A 183 -39.749 17.799 9.756 1.00 92.15 C ATOM 1523 SD MET A 183 -39.628 17.711 11.559 1.00 98.32 S ATOM 1524 CE MET A 183 -41.255 18.241 12.037 1.00 98.22 C ATOM 1525 H MET A 183 -37.802 19.363 7.792 1.00 0.00 H TER 1526 MET A 183 HETATM 1527 O HOH 1 -35.188 -12.052 -3.435 1.00 45.81 O HETATM 1528 O HOH 2 -32.720 -21.949 0.788 1.00 35.50 O HETATM 1529 O HOH 3 -36.154 -6.750 -6.360 1.00 41.58 O HETATM 1530 O HOH 4 -26.763 12.422 9.927 1.00 62.80 O HETATM 1531 O HOH 5 -36.057 8.721 16.327 1.00 83.87 O HETATM 1532 O HOH 6 -24.058 10.525 9.675 1.00 59.90 O HETATM 1533 O HOH 7 -36.706 16.329 7.630 1.00 45.98 O HETATM 1534 O HOH 8 -39.500 17.163 19.020 1.00 69.44 O HETATM 1535 O HOH 9 -51.312 -1.537 -10.257 1.00 50.51 O HETATM 1536 O HOH 10 -45.201 -3.299 12.859 1.00 51.23 O HETATM 1537 O HOH 11 -37.050 1.176 11.924 1.00 70.36 O HETATM 1538 O HOH 12 -50.152 -11.671 -11.671 1.00 45.47 O HETATM 1539 O HOH 13 -46.585 -1.016 13.675 1.00 53.70 O HETATM 1540 O HOH 14 -35.107 -14.662 -4.411 1.00 46.11 O HETATM 1541 O HOH 15 -42.467 10.335 19.500 1.00 46.09 O HETATM 1542 O HOH 16 -54.905 -4.851 -8.685 1.00 57.04 O HETATM 1543 O HOH 17 -32.745 -15.084 -6.082 1.00 56.69 O HETATM 1544 O HOH 18 -42.088 -18.724 -5.720 1.00 48.22 O HETATM 1545 O HOH 19 -39.522 3.346 -12.632 1.00 55.84 O HETATM 1546 O HOH 20 -36.363 -21.970 15.293 1.00 79.09 O HETATM 1547 O HOH 21 -35.036 1.037 14.134 1.00 60.24 O HETATM 1548 O HOH 22 -43.847 -5.759 -3.724 1.00 27.29 O HETATM 1549 O HOH 23 -47.001 -3.133 -5.139 1.00 49.91 O HETATM 1550 O HOH 24 -55.671 -3.683 -3.852 1.00 62.58 O HETATM 1551 O HOH 25 -56.952 -1.687 8.584 1.00 67.64 O HETATM 1552 O HOH 26 -50.645 -9.256 9.101 1.00 60.97 O HETATM 1553 O HOH 27 -45.625 -11.685 3.881 1.00 39.68 O HETATM 1554 O HOH 28 -33.459 -5.212 -5.892 1.00 48.26 O HETATM 1555 O HOH 29 -49.185 2.986 13.305 1.00 66.61 O HETATM 1556 O HOH 30 -47.522 -4.070 11.630 1.00 66.22 O HETATM 1557 O HOH 31 -27.775 -7.260 7.600 1.00 68.82 O HETATM 1558 O HOH 32 -52.201 -11.499 7.584 1.00 67.90 O HETATM 1559 O HOH 33 -25.435 1.776 -0.896 1.00 63.55 O HETATM 1560 O HOH 34 -26.447 -5.018 -4.016 1.00 50.55 O HETATM 1561 O HOH 35 -57.406 2.035 -3.391 1.00 68.87 O HETATM 1562 O HOH 36 -39.271 7.530 12.775 1.00 30.29 O HETATM 1563 O HOH 37 -31.282 -15.792 6.292 1.00 54.67 O HETATM 1564 O HOH 38 -42.135 7.761 13.407 1.00 48.81 O HETATM 1565 O HOH 39 -27.820 -4.385 7.616 1.00 79.42 O HETATM 1566 O HOH 40 -52.931 -5.115 -1.230 1.00 87.62 O HETATM 1567 O HOH 41 -50.962 -8.446 2.517 1.00 57.43 O HETATM 1568 O HOH 42 -48.451 9.243 -1.927 1.00 58.87 O HETATM 1569 O HOH 43 -48.607 -8.243 10.746 1.00 67.87 O HETATM 1570 O HOH 44 -34.902 2.252 -7.105 1.00 84.91 O HETATM 1571 O HOH 45 -56.982 0.047 -6.250 1.00 62.40 O HETATM 1572 O HOH 46 -46.592 -8.759 2.486 1.00 51.98 O HETATM 1573 O HOH 47 -42.484 -12.280 13.518 1.00 57.24 O HETATM 1574 C1 UNN A 48 -47.434 -4.749 1.629 1.00 -0.02 C HETATM 1575 C2 UNN A 48 -46.121 -4.913 1.219 1.00 0.14 C HETATM 1576 C3 UNN A 48 -45.702 -4.380 0.004 1.00 0.03 C HETATM 1577 N4 UNN A 48 -46.568 -3.751 -0.779 1.00 -0.28 N HETATM 1578 C5 UNN A 48 -47.860 -3.578 -0.442 1.00 0.14 C HETATM 1579 C6 UNN A 48 -48.330 -4.081 0.785 1.00 0.02 C HETATM 1580 C7 UNN A 48 -49.764 -3.749 0.859 1.00 0.03 C HETATM 1581 C8 UNN A 48 -50.087 -3.121 -0.303 1.00 0.05 C HETATM 1582 N9 UNN A 48 -48.947 -2.970 -1.052 1.00 -0.26 N HETATM 1583 H UNN A 48 -48.904 -2.470 -1.951 1.00 0.24 H HETATM 1584 H UNN A 48 -51.084 -2.792 -0.591 1.00 0.11 H HETATM 1585 C11 UNN A 48 -50.643 -4.034 2.008 1.00 0.08 C HETATM 1586 N12 UNN A 48 -51.906 -3.611 2.053 1.00 -0.30 N HETATM 1587 C13 UNN A 48 -52.679 -3.840 3.124 1.00 0.04 C HETATM 1588 C14 UNN A 48 -52.148 -4.521 4.207 1.00 0.19 C HETATM 1589 C15 UNN A 48 -50.827 -4.964 4.125 1.00 0.15 C HETATM 1590 N16 UNN A 48 -50.115 -4.687 3.035 1.00 -0.27 N HETATM 1591 N17 UNN A 48 -50.286 -5.660 5.191 1.00 -0.30 N HETATM 1592 C18 UNN A 48 -48.883 -6.077 5.265 1.00 0.06 C HETATM 1593 C20 UNN A 48 -48.890 -7.324 6.193 1.00 0.04 C HETATM 1594 C22 UNN A 48 -47.763 -7.208 7.238 1.00 -0.02 C HETATM 1595 C23 UNN A 48 -46.437 -6.857 6.517 1.00 -0.05 C HETATM 1596 C24 UNN A 48 -46.530 -5.449 5.862 1.00 -0.05 C HETATM 1597 C25 UNN A 48 -47.996 -4.970 5.896 1.00 -0.02 C HETATM 1598 C26 UNN A 48 -48.359 -4.760 7.388 1.00 -0.05 C HETATM 1599 C27 UNN A 48 -48.169 -6.065 8.193 1.00 -0.05 C HETATM 1600 H UNN A 48 -47.380 -5.919 8.946 1.00 0.03 H HETATM 1601 H UNN A 48 -49.112 -6.325 8.696 1.00 0.03 H HETATM 1602 H UNN A 48 -49.409 -4.442 7.461 1.00 0.03 H HETATM 1603 H UNN A 48 -47.709 -3.979 7.810 1.00 0.03 H HETATM 1604 H UNN A 48 -48.114 -4.029 5.338 1.00 0.03 H HETATM 1605 H UNN A 48 -46.185 -5.505 4.819 1.00 0.03 H HETATM 1606 H UNN A 48 -45.899 -4.741 6.419 1.00 0.03 H HETATM 1607 H UNN A 48 -46.239 -7.607 5.737 1.00 0.03 H HETATM 1608 H UNN A 48 -45.615 -6.863 7.248 1.00 0.03 H HETATM 1609 H UNN A 48 -47.650 -8.151 7.793 1.00 0.03 H HETATM 1610 C28 UNN A 48 -48.916 -8.645 5.453 1.00 0.04 C HETATM 1611 O29 UNN A 48 -49.088 -9.652 6.097 1.00 -0.57 O HETATM 1612 O30 UNN A 48 -48.791 -8.710 4.113 1.00 -0.57 O HETATM 1613 H UNN A 48 -49.835 -7.285 6.754 1.00 0.05 H HETATM 1614 H UNN A 48 -48.502 -6.332 4.265 1.00 0.06 H HETATM 1615 H UNN A 48 -50.905 -5.899 5.979 1.00 0.18 H HETATM 1616 F31 UNN A 48 -52.864 -4.788 5.323 1.00 -0.18 F HETATM 1617 H UNN A 48 -53.707 -3.497 3.142 1.00 0.08 H HETATM 1618 H UNN A 48 -44.667 -4.479 -0.303 1.00 0.07 H HETATM 1619 F32 UNN A 48 -45.273 -5.562 2.034 1.00 -0.18 F HETATM 1620 H UNN A 48 -47.763 -5.132 2.588 1.00 0.07 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 992 993 1000 1001 1002 CONECT 1000 992 CONECT 1001 992 CONECT 1002 992 CONECT 1574 1575 1579 1620 CONECT 1575 1574 1576 1619 CONECT 1576 1575 1577 1618 CONECT 1577 1576 1578 CONECT 1578 1577 1579 1582 CONECT 1579 1574 1578 1580 CONECT 1580 1579 1581 1585 CONECT 1581 1580 1582 1584 CONECT 1582 1578 1581 1583 CONECT 1583 1582 CONECT 1584 1581 CONECT 1585 1580 1586 1590 CONECT 1586 1585 1587 CONECT 1587 1586 1588 1617 CONECT 1588 1587 1589 1616 CONECT 1589 1588 1590 1591 CONECT 1590 1585 1589 CONECT 1591 1589 1592 1615 CONECT 1592 1591 1593 1597 1614 CONECT 1593 1592 1594 1610 1613 CONECT 1594 1593 1595 1599 1609 CONECT 1595 1594 1596 1607 1608 CONECT 1596 1595 1597 1605 1606 CONECT 1597 1592 1596 1598 1604 CONECT 1598 1597 1599 1602 1603 CONECT 1599 1594 1598 1600 1601 CONECT 1600 1599 CONECT 1601 1599 CONECT 1602 1598 CONECT 1603 1598 CONECT 1604 1597 CONECT 1605 1596 CONECT 1606 1596 CONECT 1607 1595 CONECT 1608 1595 CONECT 1609 1594 CONECT 1610 1593 1611 1612 CONECT 1611 1610 CONECT 1612 1610 CONECT 1613 1593 CONECT 1614 1592 CONECT 1615 1591 CONECT 1616 1588 CONECT 1617 1587 CONECT 1618 1576 CONECT 1619 1575 CONECT 1620 1574 MASTER 0 0 0 0 0 0 0 0 1618 2 55 13 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 4p1u
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4ncm
RCSB PDB
PDBbind
169aa, >4NCM_1|Chain... at 97%
5jur
RCSB PDB
PDBbind
169aa, >5JUR_1|Chain... at 97%
5wl0
RCSB PDB
PDBbind
510aa, >5WL0_1|Chain... *
6euv
RCSB PDB
PDBbind
290aa, >6EUV_1|Chains... at 100%
6euw
RCSB PDB
PDBbind
163aa, >6EUW_1|Chain... at 92%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5wl0
RCSB PDB
PDBbind
21G
6euv
RCSB PDB
PDBbind
21G
Entry Information
PDB ID
4p1u
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Influenza polymerase basic protein 2 (PB2)
Ligand Name
21G
EC.Number
E.C.-.-.-.-
Resolution
2.52(Å)
Affinity (Kd/Ki/IC50)
Kd<0.003uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Med.Chem. Vol. 57: pp. 6668-6678
Ligand Properties
Formula
C
2
0
H
1
9
F
2
N
5
O
2
Molecular Weight
399.394
Exact Mass
399.151
No. of atoms
48
No. of bonds
52
Polar Surface Area
103.79
LOGP Value
4.98 (
Computed with XLOGP3
)
3.67 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 5
Canonical SMILES
OC(=O)[C@H]1[C@@H]2CC[C@H]([C@@H]1Nc1nc(ncc1F)c1c[nH]c3c1cc(F)cn3)CC2
InChI String
InChI=1S/C20H19F2N5O2/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29/h5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27)/t9-,10+,15-,16-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P31345
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓