Browse entries in the PDBbind-CN Database
HEADER 1FE3_COMPLEX COMPND 1FE3_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 131 VAL GLU ALA PHE CYS ALA THR TRP LYS LEU THR ASN SER SEQRES 2 A 131 GLN ASN PHE ASP GLU TYR MET LYS ALA LEU GLY VAL GLY SEQRES 3 A 131 PHE ALA THR ARG GLN VAL GLY ASN VAL THR LYS PRO THR SEQRES 4 A 131 VAL ILE ILE SER GLN GLU GLY ASP LYS VAL VAL ILE ARG SEQRES 5 A 131 THR LEU SER THR PHE LYS ASN THR GLU ILE SER PHE GLN SEQRES 6 A 131 LEU GLY GLU GLU PHE ASP GLU THR THR ALA ASP ASP ARG SEQRES 7 A 131 ASN CYS LYS SER VAL VAL SER LEU ASP GLY ASP LYS LEU SEQRES 8 A 131 VAL HIS ILE GLN LYS TRP ASP GLY LYS GLU THR ASN PHE SEQRES 9 A 131 VAL ARG GLU ILE LYS ASP GLY LYS MET VAL MET THR LEU SEQRES 10 A 131 THR PHE GLY ASP VAL VAL ALA VAL ARG HIS TYR GLU LYS SEQRES 11 A 131 ALA HET OLA A 132 55 ATOM 1 N VAL A 1 93.452 55.753 -29.423 1.00 11.61 N ATOM 2 CA VAL A 1 93.718 56.170 -30.833 1.00 16.20 C ATOM 3 C VAL A 1 92.502 55.787 -31.697 1.00 17.70 C ATOM 4 O VAL A 1 92.211 56.415 -32.719 1.00 14.81 O ATOM 5 CB VAL A 1 95.052 55.508 -31.412 1.00 16.20 C ATOM 6 CG1 VAL A 1 94.747 54.136 -32.047 1.00 18.40 C ATOM 7 CG2 VAL A 1 95.743 56.431 -32.465 1.00 2.00 C ATOM 8 HA VAL A 1 93.870 57.249 -30.856 1.00 0.00 H ATOM 9 HB VAL A 1 95.736 55.374 -30.574 1.00 0.00 H ATOM 10 HG11 VAL A 1 94.323 53.474 -31.292 1.00 0.00 H ATOM 11 HG12 VAL A 1 94.034 54.264 -32.861 1.00 0.00 H ATOM 12 HG13 VAL A 1 95.669 53.703 -32.435 1.00 0.00 H ATOM 13 HG21 VAL A 1 95.059 56.609 -33.295 1.00 0.00 H ATOM 14 HG22 VAL A 1 96.005 57.380 -31.998 1.00 0.00 H ATOM 15 HG23 VAL A 1 96.646 55.946 -32.835 1.00 0.00 H ATOM 16 HN3 VAL A 1 93.303 54.724 -29.389 1.00 0.00 H ATOM 17 HN2 VAL A 1 92.602 56.239 -29.074 1.00 0.00 H ATOM 18 HN1 VAL A 1 94.267 56.006 -28.828 1.00 0.00 H ATOM 19 N GLU A 2 91.761 54.784 -31.251 1.00 22.22 N ATOM 20 CA GLU A 2 90.604 54.333 -32.015 1.00 26.12 C ATOM 21 C GLU A 2 89.458 55.346 -32.051 1.00 23.11 C ATOM 22 O GLU A 2 88.509 55.166 -32.797 1.00 24.05 O ATOM 23 CB GLU A 2 90.134 52.938 -31.550 1.00 31.50 C ATOM 24 CG GLU A 2 91.222 51.813 -31.682 1.00 36.53 C ATOM 25 CD GLU A 2 92.114 51.655 -30.426 1.00 38.85 C ATOM 26 OE1 GLU A 2 93.154 52.352 -30.306 1.00 36.03 O ATOM 27 OE2 GLU A 2 91.764 50.823 -29.557 1.00 37.44 O ATOM 28 HA GLU A 2 90.939 54.246 -33.049 1.00 0.00 H ATOM 29 HB2 GLU A 2 89.840 53.008 -30.503 1.00 0.00 H ATOM 30 HB3 GLU A 2 89.271 52.651 -32.150 1.00 0.00 H ATOM 31 HG2 GLU A 2 90.716 50.865 -31.866 1.00 0.00 H ATOM 32 HG3 GLU A 2 91.863 52.052 -32.531 1.00 0.00 H ATOM 33 H GLU A 2 92.005 54.317 -30.354 1.00 0.00 H ATOM 34 N ALA A 3 89.571 56.423 -31.276 1.00 18.63 N ATOM 35 CA ALA A 3 88.548 57.465 -31.268 1.00 11.74 C ATOM 36 C ALA A 3 88.896 58.647 -32.184 1.00 9.63 C ATOM 37 O ALA A 3 88.051 59.485 -32.480 1.00 11.92 O ATOM 38 CB ALA A 3 88.332 57.958 -29.873 1.00 13.10 C ATOM 39 HA ALA A 3 87.634 57.014 -31.654 1.00 0.00 H ATOM 40 HB1 ALA A 3 88.007 57.130 -29.243 1.00 0.00 H ATOM 41 HB2 ALA A 3 89.265 58.367 -29.485 1.00 0.00 H ATOM 42 HB3 ALA A 3 87.567 58.735 -29.878 1.00 0.00 H ATOM 43 H ALA A 3 90.405 56.524 -30.664 1.00 0.00 H ATOM 44 N PHE A 4 90.144 58.730 -32.610 1.00 6.86 N ATOM 45 CA PHE A 4 90.582 59.814 -33.469 1.00 4.19 C ATOM 46 C PHE A 4 90.361 59.457 -34.909 1.00 2.57 C ATOM 47 O PHE A 4 90.312 60.321 -35.773 1.00 2.00 O ATOM 48 CB PHE A 4 92.068 60.048 -33.264 1.00 3.52 C ATOM 49 CG PHE A 4 92.392 60.598 -31.935 1.00 3.97 C ATOM 50 CD1 PHE A 4 92.059 61.920 -31.624 1.00 2.05 C ATOM 51 CD2 PHE A 4 93.021 59.803 -30.983 1.00 2.00 C ATOM 52 CE1 PHE A 4 92.349 62.453 -30.378 1.00 2.00 C ATOM 53 CE2 PHE A 4 93.319 60.311 -29.737 1.00 2.00 C ATOM 54 CZ PHE A 4 92.979 61.657 -29.425 1.00 2.90 C ATOM 55 HA PHE A 4 90.012 60.709 -33.218 1.00 0.00 H ATOM 56 HB2 PHE A 4 92.588 59.097 -33.382 1.00 0.00 H ATOM 57 HB3 PHE A 4 92.417 60.748 -34.023 1.00 0.00 H ATOM 58 HD2 PHE A 4 93.280 58.772 -31.224 1.00 0.00 H ATOM 59 HE2 PHE A 4 93.813 59.685 -28.994 1.00 0.00 H ATOM 60 HZ PHE A 4 93.211 62.064 -28.441 1.00 0.00 H ATOM 61 HE1 PHE A 4 92.086 63.485 -30.146 1.00 0.00 H ATOM 62 HD1 PHE A 4 91.564 62.540 -32.372 1.00 0.00 H ATOM 63 H PHE A 4 90.828 58.001 -32.323 1.00 0.00 H ATOM 64 N CYS A 5 90.257 58.165 -35.165 1.00 6.58 N ATOM 65 CA CYS A 5 90.089 57.678 -36.521 1.00 11.65 C ATOM 66 C CYS A 5 88.737 57.912 -37.158 1.00 10.48 C ATOM 67 O CYS A 5 87.814 57.140 -36.927 1.00 12.75 O ATOM 68 CB CYS A 5 90.489 56.207 -36.597 1.00 11.82 C ATOM 69 SG CYS A 5 92.279 56.026 -36.485 1.00 16.38 S ATOM 70 HA CYS A 5 90.758 58.292 -37.123 1.00 0.00 H ATOM 71 HB2 CYS A 5 90.146 55.791 -37.544 1.00 0.00 H ATOM 72 HB3 CYS A 5 90.022 55.666 -35.774 1.00 0.00 H ATOM 73 HG CYS A 5 92.875 56.705 -37.528 1.00 0.00 H ATOM 74 H CYS A 5 90.296 57.484 -34.380 1.00 0.00 H ATOM 75 N ALA A 6 88.652 58.953 -37.989 1.00 7.89 N ATOM 76 CA ALA A 6 87.419 59.312 -38.669 1.00 9.73 C ATOM 77 C ALA A 6 87.594 60.478 -39.648 1.00 12.69 C ATOM 78 O ALA A 6 88.641 61.131 -39.702 1.00 12.99 O ATOM 79 CB ALA A 6 86.352 59.671 -37.653 1.00 6.77 C ATOM 80 HA ALA A 6 87.118 58.440 -39.249 1.00 0.00 H ATOM 81 HB1 ALA A 6 86.168 58.815 -37.003 1.00 0.00 H ATOM 82 HB2 ALA A 6 86.692 60.516 -37.055 1.00 0.00 H ATOM 83 HB3 ALA A 6 85.432 59.938 -38.173 1.00 0.00 H ATOM 84 H ALA A 6 89.501 59.530 -38.156 1.00 0.00 H ATOM 85 N THR A 7 86.560 60.711 -40.442 1.00 12.34 N ATOM 86 CA THR A 7 86.574 61.797 -41.384 1.00 14.47 C ATOM 87 C THR A 7 86.042 63.003 -40.629 1.00 16.24 C ATOM 88 O THR A 7 84.877 63.010 -40.194 1.00 17.35 O ATOM 89 CB THR A 7 85.672 61.491 -42.587 1.00 16.03 C ATOM 90 OG1 THR A 7 86.131 60.291 -43.221 1.00 16.17 O ATOM 91 CG2 THR A 7 85.691 62.636 -43.597 1.00 12.01 C ATOM 92 HA THR A 7 87.578 61.967 -41.774 1.00 0.00 H ATOM 93 HB THR A 7 84.649 61.367 -42.232 1.00 0.00 H ATOM 94 HG1 THR A 7 85.553 60.088 -43.999 1.00 0.00 H ATOM 95 HG23 THR A 7 85.342 63.549 -43.115 1.00 0.00 H ATOM 96 HG21 THR A 7 86.708 62.781 -43.960 1.00 0.00 H ATOM 97 HG22 THR A 7 85.036 62.392 -44.434 1.00 0.00 H ATOM 98 H THR A 7 85.723 60.097 -40.383 1.00 0.00 H ATOM 99 N TRP A 8 86.917 63.984 -40.408 1.00 15.04 N ATOM 100 CA TRP A 8 86.545 65.200 -39.702 1.00 12.14 C ATOM 101 C TRP A 8 86.466 66.385 -40.674 1.00 14.38 C ATOM 102 O TRP A 8 87.161 66.420 -41.704 1.00 11.67 O ATOM 103 CB TRP A 8 87.543 65.518 -38.586 1.00 8.59 C ATOM 104 CG TRP A 8 87.891 64.359 -37.716 1.00 5.97 C ATOM 105 CD1 TRP A 8 88.875 63.424 -37.939 1.00 6.19 C ATOM 106 CD2 TRP A 8 87.289 64.013 -36.467 1.00 4.04 C ATOM 107 NE1 TRP A 8 88.921 62.523 -36.899 1.00 3.96 N ATOM 108 CE2 TRP A 8 87.959 62.856 -35.984 1.00 3.27 C ATOM 109 CE3 TRP A 8 86.248 64.558 -35.708 1.00 2.62 C ATOM 110 CZ2 TRP A 8 87.616 62.243 -34.784 1.00 2.00 C ATOM 111 CZ3 TRP A 8 85.906 63.945 -34.510 1.00 4.35 C ATOM 112 CH2 TRP A 8 86.590 62.796 -34.061 1.00 3.37 C ATOM 113 HA TRP A 8 85.564 65.035 -39.256 1.00 0.00 H ATOM 114 HB2 TRP A 8 88.460 65.887 -39.045 1.00 0.00 H ATOM 115 HB3 TRP A 8 87.114 66.298 -37.958 1.00 0.00 H ATOM 116 HE1 TRP A 8 89.579 61.721 -36.821 1.00 0.00 H ATOM 117 HD1 TRP A 8 89.525 63.400 -38.814 1.00 0.00 H ATOM 118 HZ2 TRP A 8 88.143 61.356 -34.431 1.00 0.00 H ATOM 119 HH2 TRP A 8 86.296 62.337 -33.117 1.00 0.00 H ATOM 120 HZ3 TRP A 8 85.097 64.358 -33.908 1.00 0.00 H ATOM 121 HE3 TRP A 8 85.716 65.446 -36.050 1.00 0.00 H ATOM 122 H TRP A 8 87.893 63.877 -40.750 1.00 0.00 H ATOM 123 N LYS A 9 85.566 67.314 -40.331 1.00 14.58 N ATOM 124 CA LYS A 9 85.277 68.549 -41.053 1.00 7.85 C ATOM 125 C LYS A 9 85.390 69.610 -39.967 1.00 7.44 C ATOM 126 O LYS A 9 84.968 69.367 -38.819 1.00 2.89 O ATOM 127 CB LYS A 9 83.817 68.560 -41.546 1.00 12.32 C ATOM 128 CG LYS A 9 83.580 68.531 -43.080 1.00 21.94 C ATOM 129 CD LYS A 9 84.622 69.355 -43.908 1.00 32.03 C ATOM 130 CE LYS A 9 84.857 70.811 -43.428 1.00 31.71 C ATOM 131 NZ LYS A 9 83.655 71.706 -43.499 1.00 35.91 N ATOM 132 HA LYS A 9 85.931 68.687 -41.914 1.00 0.00 H ATOM 133 HB2 LYS A 9 83.322 67.686 -41.122 1.00 0.00 H ATOM 134 HB3 LYS A 9 83.348 69.465 -41.160 1.00 0.00 H ATOM 135 HG2 LYS A 9 83.622 67.494 -43.413 1.00 0.00 H ATOM 136 HG3 LYS A 9 82.588 68.935 -43.280 1.00 0.00 H ATOM 137 HD2 LYS A 9 85.576 68.829 -43.866 1.00 0.00 H ATOM 138 HD3 LYS A 9 84.275 69.394 -44.941 1.00 0.00 H ATOM 139 HE2 LYS A 9 85.641 71.248 -44.046 1.00 0.00 H ATOM 140 HE3 LYS A 9 85.191 70.775 -42.391 1.00 0.00 H ATOM 141 HZ1 LYS A 9 83.327 71.767 -44.484 1.00 0.00 H ATOM 142 HZ2 LYS A 9 82.897 71.315 -42.904 1.00 0.00 H ATOM 143 HZ3 LYS A 9 83.910 72.655 -43.158 1.00 0.00 H ATOM 144 H LYS A 9 85.018 67.139 -39.464 1.00 0.00 H ATOM 145 N LEU A 10 85.973 70.761 -40.316 1.00 5.65 N ATOM 146 CA LEU A 10 86.119 71.876 -39.386 1.00 3.34 C ATOM 147 C LEU A 10 84.757 72.527 -39.303 1.00 2.39 C ATOM 148 O LEU A 10 84.028 72.541 -40.278 1.00 2.43 O ATOM 149 CB LEU A 10 87.133 72.900 -39.901 1.00 6.94 C ATOM 150 CG LEU A 10 87.417 74.152 -39.051 1.00 2.32 C ATOM 151 CD1 LEU A 10 88.253 73.767 -37.857 1.00 2.00 C ATOM 152 CD2 LEU A 10 88.160 75.186 -39.860 1.00 2.00 C ATOM 153 HA LEU A 10 86.475 71.523 -38.418 1.00 0.00 H ATOM 154 HB2 LEU A 10 88.081 72.377 -40.029 1.00 0.00 H ATOM 155 HB3 LEU A 10 86.776 73.245 -40.871 1.00 0.00 H ATOM 156 HG LEU A 10 86.467 74.574 -38.724 1.00 0.00 H ATOM 157 HD21 LEU A 10 89.107 74.767 -40.200 1.00 0.00 H ATOM 158 HD22 LEU A 10 87.557 75.473 -40.722 1.00 0.00 H ATOM 159 HD23 LEU A 10 88.350 76.062 -39.240 1.00 0.00 H ATOM 160 HD11 LEU A 10 87.713 73.034 -37.258 1.00 0.00 H ATOM 161 HD12 LEU A 10 89.194 73.336 -38.198 1.00 0.00 H ATOM 162 HD13 LEU A 10 88.454 74.653 -37.255 1.00 0.00 H ATOM 163 H LEU A 10 86.336 70.866 -41.285 1.00 0.00 H ATOM 164 N THR A 11 84.398 73.006 -38.119 1.00 4.55 N ATOM 165 CA THR A 11 83.117 73.654 -37.901 1.00 8.32 C ATOM 166 C THR A 11 83.351 75.040 -37.350 1.00 11.40 C ATOM 167 O THR A 11 82.724 76.008 -37.777 1.00 15.79 O ATOM 168 CB THR A 11 82.269 72.879 -36.894 1.00 8.14 C ATOM 169 OG1 THR A 11 82.945 72.809 -35.629 1.00 6.27 O ATOM 170 CG2 THR A 11 82.041 71.492 -37.410 1.00 8.26 C ATOM 171 HA THR A 11 82.591 73.693 -38.855 1.00 0.00 H ATOM 172 HB THR A 11 81.315 73.390 -36.760 1.00 0.00 H ATOM 173 HG1 THR A 11 82.387 72.305 -34.985 1.00 0.00 H ATOM 174 HG23 THR A 11 81.528 71.543 -38.370 1.00 0.00 H ATOM 175 HG21 THR A 11 83.000 70.990 -37.535 1.00 0.00 H ATOM 176 HG22 THR A 11 81.429 70.937 -36.699 1.00 0.00 H ATOM 177 H THR A 11 85.057 72.914 -37.319 1.00 0.00 H ATOM 178 N ASN A 12 84.273 75.140 -36.407 1.00 11.73 N ATOM 179 CA ASN A 12 84.577 76.424 -35.824 1.00 15.04 C ATOM 180 C ASN A 12 86.028 76.549 -35.413 1.00 14.11 C ATOM 181 O ASN A 12 86.568 75.688 -34.717 1.00 20.06 O ATOM 182 CB ASN A 12 83.681 76.693 -34.621 1.00 19.25 C ATOM 183 CG ASN A 12 83.988 78.024 -33.973 1.00 25.34 C ATOM 184 OD1 ASN A 12 83.401 79.065 -34.321 1.00 24.07 O ATOM 185 ND2 ASN A 12 84.960 78.016 -33.060 1.00 29.77 N ATOM 186 HA ASN A 12 84.388 77.168 -36.598 1.00 0.00 H ATOM 187 HB2 ASN A 12 82.641 76.692 -34.949 1.00 0.00 H ATOM 188 HB3 ASN A 12 83.830 75.901 -33.887 1.00 0.00 H ATOM 189 HD22 ASN A 12 85.422 77.121 -32.801 1.00 0.00 H ATOM 190 HD21 ASN A 12 85.256 78.904 -32.607 1.00 0.00 H ATOM 191 H ASN A 12 84.780 74.291 -36.085 1.00 0.00 H ATOM 192 N SER A 13 86.654 77.635 -35.836 1.00 10.60 N ATOM 193 CA SER A 13 88.042 77.909 -35.518 1.00 6.59 C ATOM 194 C SER A 13 88.040 79.152 -34.645 1.00 8.96 C ATOM 195 O SER A 13 87.074 79.924 -34.656 1.00 11.24 O ATOM 196 CB SER A 13 88.819 78.156 -36.803 1.00 2.00 C ATOM 197 OG SER A 13 90.023 78.833 -36.548 1.00 2.00 O ATOM 198 HA SER A 13 88.515 77.073 -35.002 1.00 0.00 H ATOM 199 HB2 SER A 13 88.209 78.757 -37.477 1.00 0.00 H ATOM 200 HB3 SER A 13 89.042 77.198 -37.273 1.00 0.00 H ATOM 201 HG SER A 13 90.505 78.979 -37.400 1.00 0.00 H ATOM 202 H SER A 13 86.130 78.319 -36.419 1.00 0.00 H ATOM 203 N GLN A 14 89.141 79.381 -33.938 1.00 10.79 N ATOM 204 CA GLN A 14 89.251 80.516 -33.035 1.00 8.23 C ATOM 205 C GLN A 14 90.688 80.922 -32.781 1.00 8.19 C ATOM 206 O GLN A 14 91.544 80.083 -32.468 1.00 3.59 O ATOM 207 CB GLN A 14 88.565 80.150 -31.734 1.00 10.22 C ATOM 208 CG GLN A 14 88.877 80.982 -30.539 1.00 12.27 C ATOM 209 CD GLN A 14 87.920 80.615 -29.411 1.00 22.27 C ATOM 210 OE1 GLN A 14 86.859 79.993 -29.650 1.00 16.15 O ATOM 211 NE2 GLN A 14 88.280 80.984 -28.179 1.00 24.58 N ATOM 212 HA GLN A 14 88.770 81.378 -33.498 1.00 0.00 H ATOM 213 HB2 GLN A 14 87.490 80.209 -31.903 1.00 0.00 H ATOM 214 HB3 GLN A 14 88.838 79.122 -31.498 1.00 0.00 H ATOM 215 HG2 GLN A 14 89.903 80.796 -30.222 1.00 0.00 H ATOM 216 HG3 GLN A 14 88.761 82.037 -30.788 1.00 0.00 H ATOM 217 HE22 GLN A 14 89.171 81.499 -28.030 1.00 0.00 H ATOM 218 HE21 GLN A 14 87.669 80.756 -27.369 1.00 0.00 H ATOM 219 H GLN A 14 89.947 78.731 -34.033 1.00 0.00 H ATOM 220 N ASN A 15 90.927 82.227 -32.938 1.00 8.91 N ATOM 221 CA ASN A 15 92.235 82.872 -32.758 1.00 6.02 C ATOM 222 C ASN A 15 93.317 82.320 -33.698 1.00 3.20 C ATOM 223 O ASN A 15 94.514 82.528 -33.489 1.00 2.00 O ATOM 224 CB ASN A 15 92.688 82.798 -31.290 1.00 5.94 C ATOM 225 CG ASN A 15 93.331 84.098 -30.816 1.00 12.45 C ATOM 226 OD1 ASN A 15 94.553 84.264 -30.867 1.00 10.57 O ATOM 227 ND2 ASN A 15 92.498 85.047 -30.387 1.00 14.44 N ATOM 228 HA ASN A 15 92.100 83.919 -33.030 1.00 0.00 H ATOM 229 HB2 ASN A 15 91.820 82.588 -30.665 1.00 0.00 H ATOM 230 HB3 ASN A 15 93.413 81.990 -31.187 1.00 0.00 H ATOM 231 HD22 ASN A 15 91.474 84.867 -30.360 1.00 0.00 H ATOM 232 HD21 ASN A 15 92.872 85.967 -30.080 1.00 0.00 H ATOM 233 H ASN A 15 90.126 82.833 -33.208 1.00 0.00 H ATOM 234 N PHE A 16 92.885 81.697 -34.790 1.00 3.78 N ATOM 235 CA PHE A 16 93.833 81.104 -35.724 1.00 7.71 C ATOM 236 C PHE A 16 94.683 82.151 -36.443 1.00 6.93 C ATOM 237 O PHE A 16 95.879 81.949 -36.635 1.00 3.80 O ATOM 238 CB PHE A 16 93.115 80.184 -36.712 1.00 5.23 C ATOM 239 CG PHE A 16 94.026 79.199 -37.404 1.00 8.77 C ATOM 240 CD1 PHE A 16 94.788 78.287 -36.662 1.00 2.61 C ATOM 241 CD2 PHE A 16 94.086 79.144 -38.810 1.00 7.90 C ATOM 242 CE1 PHE A 16 95.594 77.325 -37.319 1.00 2.00 C ATOM 243 CE2 PHE A 16 94.891 78.180 -39.477 1.00 2.00 C ATOM 244 CZ PHE A 16 95.636 77.281 -38.736 1.00 2.00 C ATOM 245 HA PHE A 16 94.527 80.501 -35.139 1.00 0.00 H ATOM 246 HB2 PHE A 16 92.353 79.624 -36.169 1.00 0.00 H ATOM 247 HB3 PHE A 16 92.637 80.802 -37.472 1.00 0.00 H ATOM 248 HD2 PHE A 16 93.504 79.854 -39.398 1.00 0.00 H ATOM 249 HE2 PHE A 16 94.921 78.150 -40.566 1.00 0.00 H ATOM 250 HZ PHE A 16 96.255 76.539 -39.241 1.00 0.00 H ATOM 251 HE1 PHE A 16 96.183 76.618 -36.735 1.00 0.00 H ATOM 252 HD1 PHE A 16 94.760 78.318 -35.573 1.00 0.00 H ATOM 253 H PHE A 16 91.864 81.633 -34.979 1.00 0.00 H ATOM 254 N ASP A 17 94.066 83.277 -36.806 1.00 10.57 N ATOM 255 CA ASP A 17 94.763 84.385 -37.488 1.00 11.43 C ATOM 256 C ASP A 17 95.924 84.894 -36.630 1.00 9.24 C ATOM 257 O ASP A 17 97.044 85.072 -37.110 1.00 4.70 O ATOM 258 CB ASP A 17 93.793 85.532 -37.756 1.00 15.76 C ATOM 259 CG ASP A 17 94.431 86.665 -38.539 1.00 22.34 C ATOM 260 OD1 ASP A 17 94.651 87.742 -37.936 1.00 28.54 O ATOM 261 OD2 ASP A 17 94.708 86.484 -39.749 1.00 20.29 O ATOM 262 HA ASP A 17 95.154 84.012 -38.435 1.00 0.00 H ATOM 263 HB2 ASP A 17 92.946 85.148 -38.325 1.00 0.00 H ATOM 264 HB3 ASP A 17 93.441 85.922 -36.801 1.00 0.00 H ATOM 265 H ASP A 17 93.052 83.378 -36.600 1.00 0.00 H ATOM 266 N GLU A 18 95.650 85.094 -35.349 1.00 6.94 N ATOM 267 CA GLU A 18 96.664 85.545 -34.425 1.00 11.16 C ATOM 268 C GLU A 18 97.811 84.534 -34.345 1.00 11.12 C ATOM 269 O GLU A 18 98.988 84.907 -34.256 1.00 11.34 O ATOM 270 CB GLU A 18 96.040 85.771 -33.052 1.00 14.79 C ATOM 271 CG GLU A 18 96.756 86.824 -32.224 1.00 24.32 C ATOM 272 CD GLU A 18 97.153 88.050 -33.046 1.00 30.01 C ATOM 273 OE1 GLU A 18 96.241 88.772 -33.512 1.00 32.78 O ATOM 274 OE2 GLU A 18 98.380 88.271 -33.240 1.00 35.34 O ATOM 275 HA GLU A 18 97.078 86.488 -34.783 1.00 0.00 H ATOM 276 HB2 GLU A 18 95.006 86.086 -33.191 1.00 0.00 H ATOM 277 HB3 GLU A 18 96.061 84.829 -32.504 1.00 0.00 H ATOM 278 HG2 GLU A 18 96.095 87.143 -31.418 1.00 0.00 H ATOM 279 HG3 GLU A 18 97.657 86.381 -31.800 1.00 0.00 H ATOM 280 H GLU A 18 94.685 84.923 -35.002 1.00 0.00 H ATOM 281 N TYR A 19 97.453 83.256 -34.429 1.00 11.88 N ATOM 282 CA TYR A 19 98.410 82.155 -34.377 1.00 7.71 C ATOM 283 C TYR A 19 99.204 82.110 -35.681 1.00 6.26 C ATOM 284 O TYR A 19 100.423 81.928 -35.688 1.00 5.72 O ATOM 285 CB TYR A 19 97.647 80.837 -34.162 1.00 8.64 C ATOM 286 CG TYR A 19 98.513 79.607 -34.166 1.00 7.11 C ATOM 287 CD1 TYR A 19 98.769 78.905 -35.363 1.00 7.58 C ATOM 288 CD2 TYR A 19 99.147 79.184 -33.001 1.00 7.60 C ATOM 289 CE1 TYR A 19 99.660 77.809 -35.391 1.00 8.54 C ATOM 290 CE2 TYR A 19 100.048 78.092 -33.018 1.00 8.55 C ATOM 291 CZ TYR A 19 100.298 77.420 -34.209 1.00 7.59 C ATOM 292 OH TYR A 19 101.220 76.412 -34.221 1.00 2.86 O ATOM 293 HA TYR A 19 99.106 82.301 -33.551 1.00 0.00 H ATOM 294 HB3 TYR A 19 96.909 80.737 -34.958 1.00 0.00 H ATOM 295 HB2 TYR A 19 97.137 80.892 -33.200 1.00 0.00 H ATOM 296 HD2 TYR A 19 98.947 79.701 -32.062 1.00 0.00 H ATOM 297 HE2 TYR A 19 100.544 77.779 -32.099 1.00 0.00 H ATOM 298 HE1 TYR A 19 99.848 77.274 -36.322 1.00 0.00 H ATOM 299 HD1 TYR A 19 98.271 79.214 -36.282 1.00 0.00 H ATOM 300 HH TYR A 19 102.102 76.770 -33.948 1.00 0.00 H ATOM 301 H TYR A 19 96.444 83.030 -34.537 1.00 0.00 H ATOM 302 N MET A 20 98.506 82.287 -36.789 1.00 3.36 N ATOM 303 CA MET A 20 99.156 82.248 -38.071 1.00 6.80 C ATOM 304 C MET A 20 100.192 83.355 -38.167 1.00 7.16 C ATOM 305 O MET A 20 101.289 83.157 -38.694 1.00 6.39 O ATOM 306 CB MET A 20 98.131 82.358 -39.194 1.00 7.35 C ATOM 307 CG MET A 20 97.662 81.025 -39.710 1.00 9.94 C ATOM 308 SD MET A 20 96.991 81.230 -41.367 1.00 19.87 S ATOM 309 CE MET A 20 95.172 81.133 -41.066 1.00 12.70 C ATOM 310 HA MET A 20 99.667 81.291 -38.177 1.00 0.00 H ATOM 311 HB2 MET A 20 97.267 82.907 -38.820 1.00 0.00 H ATOM 312 HB3 MET A 20 98.581 82.909 -40.020 1.00 0.00 H ATOM 313 HG2 MET A 20 96.889 80.630 -39.050 1.00 0.00 H ATOM 314 HG3 MET A 20 98.501 80.330 -39.740 1.00 0.00 H ATOM 315 HE1 MET A 20 94.929 80.166 -40.625 1.00 0.00 H ATOM 316 HE2 MET A 20 94.875 81.930 -40.384 1.00 0.00 H ATOM 317 HE3 MET A 20 94.642 81.245 -42.012 1.00 0.00 H ATOM 318 H MET A 20 97.481 82.455 -36.733 1.00 0.00 H ATOM 319 N LYS A 21 99.826 84.517 -37.636 1.00 8.61 N ATOM 320 CA LYS A 21 100.674 85.690 -37.614 1.00 3.66 C ATOM 321 C LYS A 21 101.896 85.300 -36.798 1.00 5.00 C ATOM 322 O LYS A 21 103.012 85.370 -37.286 1.00 7.61 O ATOM 323 CB LYS A 21 99.912 86.813 -36.943 1.00 7.13 C ATOM 324 CG LYS A 21 100.259 88.186 -37.439 1.00 16.60 C ATOM 325 CD LYS A 21 99.050 89.130 -37.297 1.00 24.43 C ATOM 326 CE LYS A 21 97.989 88.815 -38.350 1.00 30.16 C ATOM 327 NZ LYS A 21 96.954 89.889 -38.504 1.00 34.99 N ATOM 328 HA LYS A 21 100.968 86.025 -38.609 1.00 0.00 H ATOM 329 HB2 LYS A 21 98.847 86.650 -37.110 1.00 0.00 H ATOM 330 HB3 LYS A 21 100.120 86.775 -35.874 1.00 0.00 H ATOM 331 HG2 LYS A 21 101.092 88.579 -36.856 1.00 0.00 H ATOM 332 HG3 LYS A 21 100.547 88.127 -38.488 1.00 0.00 H ATOM 333 HD2 LYS A 21 98.616 89.009 -36.305 1.00 0.00 H ATOM 334 HD3 LYS A 21 99.384 90.160 -37.423 1.00 0.00 H ATOM 335 HE2 LYS A 21 97.486 87.890 -38.066 1.00 0.00 H ATOM 336 HE3 LYS A 21 98.487 88.677 -39.310 1.00 0.00 H ATOM 337 HZ1 LYS A 21 96.461 90.026 -37.599 1.00 0.00 H ATOM 338 HZ2 LYS A 21 97.417 90.777 -38.786 1.00 0.00 H ATOM 339 HZ3 LYS A 21 96.269 89.607 -39.234 1.00 0.00 H ATOM 340 H LYS A 21 98.878 84.587 -37.213 1.00 0.00 H ATOM 341 N ALA A 22 101.676 84.805 -35.584 1.00 6.43 N ATOM 342 CA ALA A 22 102.763 84.360 -34.706 1.00 8.05 C ATOM 343 C ALA A 22 103.729 83.424 -35.433 1.00 8.00 C ATOM 344 O ALA A 22 104.942 83.589 -35.370 1.00 5.33 O ATOM 345 CB ALA A 22 102.190 83.632 -33.501 1.00 8.02 C ATOM 346 HA ALA A 22 103.311 85.247 -34.389 1.00 0.00 H ATOM 347 HB1 ALA A 22 101.534 84.306 -32.949 1.00 0.00 H ATOM 348 HB2 ALA A 22 101.622 82.765 -33.838 1.00 0.00 H ATOM 349 HB3 ALA A 22 103.004 83.305 -32.855 1.00 0.00 H ATOM 350 H ALA A 22 100.696 84.731 -35.244 1.00 0.00 H ATOM 351 N LEU A 23 103.181 82.435 -36.122 1.00 8.01 N ATOM 352 CA LEU A 23 104.019 81.490 -36.832 1.00 10.16 C ATOM 353 C LEU A 23 104.820 82.183 -37.929 1.00 9.38 C ATOM 354 O LEU A 23 105.880 81.705 -38.351 1.00 11.16 O ATOM 355 CB LEU A 23 103.174 80.329 -37.367 1.00 7.12 C ATOM 356 CG LEU A 23 103.671 78.965 -36.852 1.00 10.68 C ATOM 357 CD1 LEU A 23 104.180 79.077 -35.403 1.00 7.46 C ATOM 358 CD2 LEU A 23 102.591 77.893 -36.974 1.00 4.30 C ATOM 359 HA LEU A 23 104.746 81.070 -36.136 1.00 0.00 H ATOM 360 HB2 LEU A 23 102.141 80.470 -37.049 1.00 0.00 H ATOM 361 HB3 LEU A 23 103.221 80.332 -38.456 1.00 0.00 H ATOM 362 HG LEU A 23 104.507 78.659 -37.481 1.00 0.00 H ATOM 363 HD21 LEU A 23 101.721 78.187 -36.387 1.00 0.00 H ATOM 364 HD22 LEU A 23 102.306 77.784 -38.020 1.00 0.00 H ATOM 365 HD23 LEU A 23 102.978 76.945 -36.601 1.00 0.00 H ATOM 366 HD11 LEU A 23 105.004 79.789 -35.363 1.00 0.00 H ATOM 367 HD12 LEU A 23 103.370 79.421 -34.760 1.00 0.00 H ATOM 368 HD13 LEU A 23 104.525 78.100 -35.064 1.00 0.00 H ATOM 369 H LEU A 23 102.146 82.336 -36.154 1.00 0.00 H ATOM 370 N GLY A 24 104.345 83.353 -38.328 1.00 6.69 N ATOM 371 CA GLY A 24 105.016 84.100 -39.363 1.00 6.50 C ATOM 372 C GLY A 24 104.618 83.613 -40.730 1.00 5.47 C ATOM 373 O GLY A 24 105.424 83.607 -41.657 1.00 8.42 O ATOM 374 HA3 GLY A 24 106.093 83.985 -39.244 1.00 0.00 H ATOM 375 HA2 GLY A 24 104.752 85.153 -39.270 1.00 0.00 H ATOM 376 H GLY A 24 103.482 83.736 -37.892 1.00 0.00 H ATOM 377 N VAL A 25 103.370 83.190 -40.853 1.00 8.04 N ATOM 378 CA VAL A 25 102.837 82.711 -42.125 1.00 12.23 C ATOM 379 C VAL A 25 102.635 83.895 -43.088 1.00 12.67 C ATOM 380 O VAL A 25 102.146 84.973 -42.700 1.00 10.31 O ATOM 381 CB VAL A 25 101.474 81.972 -41.937 1.00 12.49 C ATOM 382 CG1 VAL A 25 101.016 81.351 -43.259 1.00 4.69 C ATOM 383 CG2 VAL A 25 101.593 80.921 -40.845 1.00 12.80 C ATOM 384 HA VAL A 25 103.558 82.006 -42.538 1.00 0.00 H ATOM 385 HB VAL A 25 100.719 82.695 -41.629 1.00 0.00 H ATOM 386 HG11 VAL A 25 100.894 82.136 -44.005 1.00 0.00 H ATOM 387 HG12 VAL A 25 101.764 80.636 -43.601 1.00 0.00 H ATOM 388 HG13 VAL A 25 100.065 80.840 -43.109 1.00 0.00 H ATOM 389 HG21 VAL A 25 102.358 80.195 -41.123 1.00 0.00 H ATOM 390 HG22 VAL A 25 101.871 81.403 -39.908 1.00 0.00 H ATOM 391 HG23 VAL A 25 100.636 80.414 -40.725 1.00 0.00 H ATOM 392 H VAL A 25 102.750 83.199 -40.018 1.00 0.00 H ATOM 393 N GLY A 26 102.981 83.663 -44.352 1.00 13.49 N ATOM 394 CA GLY A 26 102.861 84.692 -45.366 1.00 15.49 C ATOM 395 C GLY A 26 101.436 85.135 -45.576 1.00 16.10 C ATOM 396 O GLY A 26 100.522 84.323 -45.454 1.00 19.53 O ATOM 397 HA3 GLY A 26 103.248 84.302 -46.307 1.00 0.00 H ATOM 398 HA2 GLY A 26 103.454 85.554 -45.061 1.00 0.00 H ATOM 399 H GLY A 26 103.344 82.725 -44.617 1.00 0.00 H ATOM 400 N PHE A 27 101.272 86.423 -45.879 1.00 15.57 N ATOM 401 CA PHE A 27 99.985 87.072 -46.145 1.00 14.73 C ATOM 402 C PHE A 27 99.045 86.232 -46.976 1.00 15.05 C ATOM 403 O PHE A 27 97.918 85.972 -46.557 1.00 12.89 O ATOM 404 CB PHE A 27 100.219 88.370 -46.895 1.00 15.59 C ATOM 405 CG PHE A 27 98.960 89.108 -47.244 1.00 12.57 C ATOM 406 CD1 PHE A 27 98.279 89.851 -46.274 1.00 11.00 C ATOM 407 CD2 PHE A 27 98.486 89.108 -48.551 1.00 7.46 C ATOM 408 CE1 PHE A 27 97.150 90.583 -46.604 1.00 9.30 C ATOM 409 CE2 PHE A 27 97.357 89.837 -48.891 1.00 5.52 C ATOM 410 CZ PHE A 27 96.688 90.577 -47.915 1.00 8.16 C ATOM 411 HA PHE A 27 99.523 87.234 -45.171 1.00 0.00 H ATOM 412 HB2 PHE A 27 100.836 89.019 -46.274 1.00 0.00 H ATOM 413 HB3 PHE A 27 100.750 88.141 -47.819 1.00 0.00 H ATOM 414 HD2 PHE A 27 99.006 88.530 -49.315 1.00 0.00 H ATOM 415 HE2 PHE A 27 96.993 89.832 -49.918 1.00 0.00 H ATOM 416 HZ PHE A 27 95.801 91.152 -48.181 1.00 0.00 H ATOM 417 HE1 PHE A 27 96.628 91.160 -45.841 1.00 0.00 H ATOM 418 HD1 PHE A 27 98.641 89.854 -45.246 1.00 0.00 H ATOM 419 H PHE A 27 102.126 87.015 -45.931 1.00 0.00 H ATOM 420 N ALA A 28 99.495 85.884 -48.184 1.00 14.61 N ATOM 421 CA ALA A 28 98.727 85.042 -49.099 1.00 14.70 C ATOM 422 C ALA A 28 98.121 83.849 -48.364 1.00 15.53 C ATOM 423 O ALA A 28 96.904 83.772 -48.214 1.00 20.18 O ATOM 424 CB ALA A 28 99.614 84.554 -50.236 1.00 12.10 C ATOM 425 HA ALA A 28 97.915 85.642 -49.511 1.00 0.00 H ATOM 426 HB1 ALA A 28 100.005 85.411 -50.783 1.00 0.00 H ATOM 427 HB2 ALA A 28 100.441 83.974 -49.827 1.00 0.00 H ATOM 428 HB3 ALA A 28 99.028 83.928 -50.909 1.00 0.00 H ATOM 429 H ALA A 28 100.430 86.226 -48.486 1.00 0.00 H ATOM 430 N THR A 29 98.963 82.952 -47.853 1.00 15.27 N ATOM 431 CA THR A 29 98.492 81.762 -47.126 1.00 12.58 C ATOM 432 C THR A 29 97.576 82.076 -45.946 1.00 10.97 C ATOM 433 O THR A 29 96.800 81.236 -45.524 1.00 13.26 O ATOM 434 CB THR A 29 99.652 80.959 -46.579 1.00 14.05 C ATOM 435 OG1 THR A 29 100.759 81.032 -47.490 1.00 23.29 O ATOM 436 CG2 THR A 29 99.242 79.539 -46.410 1.00 14.50 C ATOM 437 HA THR A 29 97.927 81.200 -47.870 1.00 0.00 H ATOM 438 HB THR A 29 99.949 81.367 -45.613 1.00 0.00 H ATOM 439 HG1 THR A 29 101.516 80.506 -47.130 1.00 0.00 H ATOM 440 HG23 THR A 29 98.401 79.485 -45.718 1.00 0.00 H ATOM 441 HG21 THR A 29 98.946 79.130 -47.376 1.00 0.00 H ATOM 442 HG22 THR A 29 100.079 78.965 -46.012 1.00 0.00 H ATOM 443 H THR A 29 99.986 83.097 -47.972 1.00 0.00 H ATOM 444 N ARG A 30 97.727 83.254 -45.362 1.00 8.81 N ATOM 445 CA ARG A 30 96.893 83.675 -44.250 1.00 7.21 C ATOM 446 C ARG A 30 95.475 83.943 -44.780 1.00 6.68 C ATOM 447 O ARG A 30 94.480 83.607 -44.136 1.00 6.29 O ATOM 448 CB ARG A 30 97.463 84.955 -43.651 1.00 6.17 C ATOM 449 CG ARG A 30 96.934 85.339 -42.282 1.00 3.56 C ATOM 450 CD ARG A 30 98.081 85.410 -41.288 1.00 7.74 C ATOM 451 NE ARG A 30 99.254 85.987 -41.931 1.00 12.43 N ATOM 452 CZ ARG A 30 99.385 87.278 -42.215 1.00 13.47 C ATOM 453 NH1 ARG A 30 98.421 88.138 -41.877 1.00 6.96 N ATOM 454 NH2 ARG A 30 100.405 87.676 -42.972 1.00 12.29 N ATOM 455 HA ARG A 30 96.865 82.901 -43.483 1.00 0.00 H ATOM 456 HB2 ARG A 30 98.543 84.834 -43.570 1.00 0.00 H ATOM 457 HB3 ARG A 30 97.241 85.773 -44.337 1.00 0.00 H ATOM 458 HG2 ARG A 30 96.446 86.312 -42.342 1.00 0.00 H ATOM 459 HG3 ARG A 30 96.213 84.592 -41.950 1.00 0.00 H ATOM 460 HD2 ARG A 30 98.318 84.406 -40.935 1.00 0.00 H ATOM 461 HD3 ARG A 30 97.789 86.032 -40.441 1.00 0.00 H ATOM 462 HE ARG A 30 100.036 85.350 -42.183 1.00 0.00 H ATOM 463 HH12 ARG A 30 98.524 89.149 -42.100 1.00 0.00 H ATOM 464 HH11 ARG A 30 97.567 87.797 -41.391 1.00 0.00 H ATOM 465 HH22 ARG A 30 100.520 88.684 -43.202 1.00 0.00 H ATOM 466 HH21 ARG A 30 101.087 86.979 -43.333 1.00 0.00 H ATOM 467 H ARG A 30 98.466 83.898 -45.710 1.00 0.00 H ATOM 468 N GLN A 31 95.383 84.550 -45.956 1.00 4.33 N ATOM 469 CA GLN A 31 94.086 84.840 -46.540 1.00 4.22 C ATOM 470 C GLN A 31 93.343 83.536 -46.842 1.00 6.35 C ATOM 471 O GLN A 31 92.144 83.420 -46.525 1.00 5.13 O ATOM 472 CB GLN A 31 94.226 85.685 -47.804 1.00 4.69 C ATOM 473 CG GLN A 31 95.053 86.936 -47.634 1.00 6.26 C ATOM 474 CD GLN A 31 94.356 87.991 -46.835 1.00 7.68 C ATOM 475 OE1 GLN A 31 93.956 89.014 -47.377 1.00 18.34 O ATOM 476 NE2 GLN A 31 94.203 87.764 -45.547 1.00 8.83 N ATOM 477 HA GLN A 31 93.507 85.417 -45.819 1.00 0.00 H ATOM 478 HB2 GLN A 31 94.692 85.071 -48.574 1.00 0.00 H ATOM 479 HB3 GLN A 31 93.228 85.978 -48.130 1.00 0.00 H ATOM 480 HG2 GLN A 31 95.982 86.673 -47.128 1.00 0.00 H ATOM 481 HG3 GLN A 31 95.280 87.340 -48.621 1.00 0.00 H ATOM 482 HE22 GLN A 31 94.559 86.881 -45.129 1.00 0.00 H ATOM 483 HE21 GLN A 31 93.726 88.468 -44.948 1.00 0.00 H ATOM 484 H GLN A 31 96.249 84.821 -46.465 1.00 0.00 H ATOM 485 N VAL A 32 94.032 82.557 -47.439 1.00 4.81 N ATOM 486 CA VAL A 32 93.361 81.280 -47.731 1.00 8.99 C ATOM 487 C VAL A 32 93.163 80.512 -46.424 1.00 8.48 C ATOM 488 O VAL A 32 92.066 80.040 -46.112 1.00 10.39 O ATOM 489 CB VAL A 32 94.132 80.364 -48.729 1.00 10.92 C ATOM 490 CG1 VAL A 32 94.467 81.109 -50.034 1.00 8.81 C ATOM 491 CG2 VAL A 32 95.373 79.817 -48.086 1.00 12.95 C ATOM 492 HA VAL A 32 92.415 81.536 -48.207 1.00 0.00 H ATOM 493 HB VAL A 32 93.482 79.529 -48.990 1.00 0.00 H ATOM 494 HG11 VAL A 32 93.544 81.439 -50.510 1.00 0.00 H ATOM 495 HG12 VAL A 32 95.090 81.975 -49.807 1.00 0.00 H ATOM 496 HG13 VAL A 32 95.004 80.439 -50.706 1.00 0.00 H ATOM 497 HG21 VAL A 32 96.020 80.642 -47.788 1.00 0.00 H ATOM 498 HG22 VAL A 32 95.098 79.233 -47.207 1.00 0.00 H ATOM 499 HG23 VAL A 32 95.899 79.180 -48.797 1.00 0.00 H ATOM 500 H VAL A 32 95.031 82.697 -47.694 1.00 0.00 H ATOM 501 N GLY A 33 94.206 80.472 -45.615 1.00 5.03 N ATOM 502 CA GLY A 33 94.118 79.765 -44.362 1.00 5.58 C ATOM 503 C GLY A 33 93.034 80.272 -43.439 1.00 3.95 C ATOM 504 O GLY A 33 92.630 79.566 -42.533 1.00 6.14 O ATOM 505 HA3 GLY A 33 95.075 79.858 -43.849 1.00 0.00 H ATOM 506 HA2 GLY A 33 93.922 78.714 -44.575 1.00 0.00 H ATOM 507 H GLY A 33 95.090 80.950 -45.882 1.00 0.00 H ATOM 508 N ASN A 34 92.555 81.487 -43.642 1.00 5.59 N ATOM 509 CA ASN A 34 91.527 81.987 -42.753 1.00 10.04 C ATOM 510 C ASN A 34 90.100 81.685 -43.161 1.00 11.75 C ATOM 511 O ASN A 34 89.217 81.625 -42.315 1.00 13.13 O ATOM 512 CB ASN A 34 91.699 83.475 -42.523 1.00 14.84 C ATOM 513 CG ASN A 34 92.750 83.778 -41.469 1.00 19.14 C ATOM 514 OD1 ASN A 34 92.734 83.208 -40.378 1.00 20.81 O ATOM 515 ND2 ASN A 34 93.679 84.666 -41.796 1.00 22.63 N ATOM 516 HA ASN A 34 91.677 81.433 -41.826 1.00 0.00 H ATOM 517 HB2 ASN A 34 91.998 83.943 -43.461 1.00 0.00 H ATOM 518 HB3 ASN A 34 90.746 83.892 -42.198 1.00 0.00 H ATOM 519 HD22 ASN A 34 93.655 85.124 -42.729 1.00 0.00 H ATOM 520 HD21 ASN A 34 94.432 84.904 -41.119 1.00 0.00 H ATOM 521 H ASN A 34 92.909 82.073 -44.425 1.00 0.00 H ATOM 522 N VAL A 35 89.887 81.451 -44.449 1.00 10.53 N ATOM 523 CA VAL A 35 88.561 81.181 -44.973 1.00 10.33 C ATOM 524 C VAL A 35 88.279 79.702 -45.192 1.00 10.04 C ATOM 525 O VAL A 35 87.154 79.242 -45.019 1.00 8.29 O ATOM 526 CB VAL A 35 88.382 81.927 -46.302 1.00 12.60 C ATOM 527 CG1 VAL A 35 86.997 81.681 -46.904 1.00 12.51 C ATOM 528 CG2 VAL A 35 88.596 83.406 -46.071 1.00 17.81 C ATOM 529 HA VAL A 35 87.852 81.528 -44.221 1.00 0.00 H ATOM 530 HB VAL A 35 89.118 81.551 -47.013 1.00 0.00 H ATOM 531 HG11 VAL A 35 86.866 80.614 -47.087 1.00 0.00 H ATOM 532 HG12 VAL A 35 86.233 82.028 -46.208 1.00 0.00 H ATOM 533 HG13 VAL A 35 86.909 82.226 -47.844 1.00 0.00 H ATOM 534 HG21 VAL A 35 87.868 83.768 -45.345 1.00 0.00 H ATOM 535 HG22 VAL A 35 89.604 83.571 -45.690 1.00 0.00 H ATOM 536 HG23 VAL A 35 88.470 83.941 -47.012 1.00 0.00 H ATOM 537 H VAL A 35 90.695 81.461 -45.104 1.00 0.00 H ATOM 538 N THR A 36 89.326 78.969 -45.542 1.00 10.33 N ATOM 539 CA THR A 36 89.265 77.541 -45.839 1.00 7.53 C ATOM 540 C THR A 36 88.855 76.615 -44.687 1.00 7.89 C ATOM 541 O THR A 36 89.480 76.629 -43.621 1.00 6.70 O ATOM 542 CB THR A 36 90.641 77.099 -46.412 1.00 8.33 C ATOM 543 OG1 THR A 36 90.486 75.973 -47.285 1.00 8.90 O ATOM 544 CG2 THR A 36 91.640 76.787 -45.291 1.00 5.40 C ATOM 545 HA THR A 36 88.454 77.430 -46.559 1.00 0.00 H ATOM 546 HB THR A 36 91.044 77.930 -46.990 1.00 0.00 H ATOM 547 HG1 THR A 36 91.371 75.707 -47.639 1.00 0.00 H ATOM 548 HG23 THR A 36 91.740 77.657 -44.642 1.00 0.00 H ATOM 549 HG21 THR A 36 91.279 75.939 -44.710 1.00 0.00 H ATOM 550 HG22 THR A 36 92.609 76.544 -45.727 1.00 0.00 H ATOM 551 H THR A 36 90.250 79.441 -45.609 1.00 0.00 H ATOM 552 N LYS A 37 87.804 75.818 -44.907 1.00 9.45 N ATOM 553 CA LYS A 37 87.316 74.824 -43.923 1.00 12.44 C ATOM 554 C LYS A 37 87.843 73.460 -44.401 1.00 11.93 C ATOM 555 O LYS A 37 87.314 72.894 -45.350 1.00 16.20 O ATOM 556 CB LYS A 37 85.786 74.800 -43.904 1.00 11.63 C ATOM 557 CG LYS A 37 85.151 75.801 -42.992 1.00 9.12 C ATOM 558 CD LYS A 37 83.695 76.001 -43.382 1.00 9.12 C ATOM 559 CE LYS A 37 82.999 76.970 -42.427 1.00 10.53 C ATOM 560 NZ LYS A 37 83.016 76.505 -40.982 1.00 9.40 N ATOM 561 HA LYS A 37 87.659 75.066 -42.917 1.00 0.00 H ATOM 562 HB2 LYS A 37 85.432 74.992 -44.917 1.00 0.00 H ATOM 563 HB3 LYS A 37 85.467 73.806 -43.591 1.00 0.00 H ATOM 564 HG2 LYS A 37 85.205 75.441 -41.965 1.00 0.00 H ATOM 565 HG3 LYS A 37 85.681 76.750 -43.071 1.00 0.00 H ATOM 566 HD2 LYS A 37 83.649 76.403 -44.394 1.00 0.00 H ATOM 567 HD3 LYS A 37 83.182 75.040 -43.351 1.00 0.00 H ATOM 568 HE2 LYS A 37 81.962 77.082 -42.743 1.00 0.00 H ATOM 569 HE3 LYS A 37 83.502 77.935 -42.486 1.00 0.00 H ATOM 570 HZ1 LYS A 37 82.530 75.588 -40.908 1.00 0.00 H ATOM 571 HZ2 LYS A 37 84.001 76.403 -40.663 1.00 0.00 H ATOM 572 HZ3 LYS A 37 82.529 77.206 -40.388 1.00 0.00 H ATOM 573 H LYS A 37 87.304 75.900 -45.815 1.00 0.00 H ATOM 574 N PRO A 38 88.891 72.918 -43.764 1.00 11.31 N ATOM 575 CA PRO A 38 89.434 71.625 -44.207 1.00 11.26 C ATOM 576 C PRO A 38 88.897 70.324 -43.607 1.00 8.48 C ATOM 577 O PRO A 38 88.158 70.318 -42.628 1.00 11.08 O ATOM 578 CB PRO A 38 90.921 71.785 -43.895 1.00 10.88 C ATOM 579 CG PRO A 38 90.875 72.504 -42.611 1.00 10.41 C ATOM 580 CD PRO A 38 89.819 73.571 -42.828 1.00 9.54 C ATOM 581 HA PRO A 38 89.141 71.470 -45.245 1.00 0.00 H ATOM 582 HD3 PRO A 38 89.320 73.827 -41.893 1.00 0.00 H ATOM 583 HD2 PRO A 38 90.252 74.470 -43.266 1.00 0.00 H ATOM 584 HG3 PRO A 38 91.841 72.955 -42.384 1.00 0.00 H ATOM 585 HG2 PRO A 38 90.589 71.834 -41.801 1.00 0.00 H ATOM 586 HB2 PRO A 38 91.413 70.818 -43.793 1.00 0.00 H ATOM 587 HB3 PRO A 38 91.428 72.370 -44.662 1.00 0.00 H ATOM 588 N THR A 39 89.294 69.220 -44.215 1.00 2.74 N ATOM 589 CA THR A 39 88.913 67.913 -43.746 1.00 4.61 C ATOM 590 C THR A 39 90.173 67.184 -43.328 1.00 8.28 C ATOM 591 O THR A 39 91.088 66.961 -44.127 1.00 11.53 O ATOM 592 CB THR A 39 88.216 67.094 -44.836 1.00 7.43 C ATOM 593 OG1 THR A 39 86.837 67.465 -44.894 1.00 10.77 O ATOM 594 CG2 THR A 39 88.323 65.589 -44.555 1.00 6.47 C ATOM 595 HA THR A 39 88.215 68.031 -42.917 1.00 0.00 H ATOM 596 HB THR A 39 88.706 67.301 -45.787 1.00 0.00 H ATOM 597 HG1 THR A 39 86.411 67.285 -44.019 1.00 0.00 H ATOM 598 HG23 THR A 39 89.374 65.303 -44.510 1.00 0.00 H ATOM 599 HG21 THR A 39 87.843 65.363 -43.603 1.00 0.00 H ATOM 600 HG22 THR A 39 87.828 65.036 -45.353 1.00 0.00 H ATOM 601 H THR A 39 89.899 69.297 -45.057 1.00 0.00 H ATOM 602 N VAL A 40 90.215 66.798 -42.068 1.00 7.95 N ATOM 603 CA VAL A 40 91.344 66.085 -41.548 1.00 2.72 C ATOM 604 C VAL A 40 90.872 64.662 -41.375 1.00 2.00 C ATOM 605 O VAL A 40 89.929 64.424 -40.631 1.00 2.00 O ATOM 606 CB VAL A 40 91.744 66.669 -40.180 1.00 4.08 C ATOM 607 CG1 VAL A 40 92.706 65.739 -39.453 1.00 3.41 C ATOM 608 CG2 VAL A 40 92.375 68.026 -40.366 1.00 2.00 C ATOM 609 HA VAL A 40 92.210 66.153 -42.207 1.00 0.00 H ATOM 610 HB VAL A 40 90.845 66.771 -39.572 1.00 0.00 H ATOM 611 HG11 VAL A 40 92.226 64.773 -39.296 1.00 0.00 H ATOM 612 HG12 VAL A 40 93.605 65.606 -40.055 1.00 0.00 H ATOM 613 HG13 VAL A 40 92.973 66.175 -38.490 1.00 0.00 H ATOM 614 HG21 VAL A 40 93.263 67.930 -40.990 1.00 0.00 H ATOM 615 HG22 VAL A 40 91.661 68.694 -40.848 1.00 0.00 H ATOM 616 HG23 VAL A 40 92.655 68.432 -39.394 1.00 0.00 H ATOM 617 H VAL A 40 89.415 67.015 -41.440 1.00 0.00 H ATOM 618 N ILE A 41 91.469 63.736 -42.119 1.00 2.87 N ATOM 619 CA ILE A 41 91.130 62.313 -42.018 1.00 5.06 C ATOM 620 C ILE A 41 92.286 61.555 -41.331 1.00 4.30 C ATOM 621 O ILE A 41 93.419 61.547 -41.819 1.00 5.66 O ATOM 622 CB ILE A 41 90.846 61.671 -43.406 1.00 2.58 C ATOM 623 CG1 ILE A 41 90.652 62.744 -44.466 1.00 8.48 C ATOM 624 CG2 ILE A 41 89.538 60.920 -43.372 1.00 2.66 C ATOM 625 CD1 ILE A 41 90.377 62.180 -45.847 1.00 10.44 C ATOM 626 HA ILE A 41 90.217 62.237 -41.427 1.00 0.00 H ATOM 627 HB ILE A 41 91.693 61.024 -43.633 1.00 0.00 H ATOM 628 HG12 ILE A 41 89.810 63.371 -44.174 1.00 0.00 H ATOM 629 HG13 ILE A 41 91.556 63.351 -44.514 1.00 0.00 H ATOM 630 HD11 ILE A 41 91.217 61.558 -46.158 1.00 0.00 H ATOM 631 HD12 ILE A 41 89.469 61.578 -45.818 1.00 0.00 H ATOM 632 HD13 ILE A 41 90.249 63.000 -46.554 1.00 0.00 H ATOM 633 HG21 ILE A 41 89.591 60.135 -42.618 1.00 0.00 H ATOM 634 HG22 ILE A 41 88.731 61.609 -43.124 1.00 0.00 H ATOM 635 HG23 ILE A 41 89.350 60.475 -44.349 1.00 0.00 H ATOM 636 H ILE A 41 92.201 64.031 -42.796 1.00 0.00 H ATOM 637 N ILE A 42 91.999 60.953 -40.183 1.00 5.63 N ATOM 638 CA ILE A 42 92.989 60.186 -39.420 1.00 6.74 C ATOM 639 C ILE A 42 92.685 58.675 -39.446 1.00 6.14 C ATOM 640 O ILE A 42 91.624 58.266 -39.010 1.00 5.74 O ATOM 641 CB ILE A 42 92.976 60.614 -37.949 1.00 3.45 C ATOM 642 CG1 ILE A 42 93.180 62.122 -37.838 1.00 2.00 C ATOM 643 CG2 ILE A 42 94.013 59.814 -37.165 1.00 4.19 C ATOM 644 CD1 ILE A 42 93.020 62.657 -36.444 1.00 2.03 C ATOM 645 HA ILE A 42 93.956 60.381 -39.884 1.00 0.00 H ATOM 646 HB ILE A 42 92.004 60.395 -37.507 1.00 0.00 H ATOM 647 HG12 ILE A 42 94.186 62.359 -38.183 1.00 0.00 H ATOM 648 HG13 ILE A 42 92.451 62.615 -38.481 1.00 0.00 H ATOM 649 HD11 ILE A 42 92.014 62.440 -36.086 1.00 0.00 H ATOM 650 HD12 ILE A 42 93.750 62.183 -35.788 1.00 0.00 H ATOM 651 HD13 ILE A 42 93.180 63.735 -36.449 1.00 0.00 H ATOM 652 HG21 ILE A 42 93.778 58.752 -37.233 1.00 0.00 H ATOM 653 HG22 ILE A 42 95.003 59.996 -37.584 1.00 0.00 H ATOM 654 HG23 ILE A 42 93.996 60.125 -36.121 1.00 0.00 H ATOM 655 H ILE A 42 91.031 61.029 -39.809 1.00 0.00 H ATOM 656 N SER A 43 93.622 57.850 -39.907 1.00 9.33 N ATOM 657 CA SER A 43 93.424 56.394 -39.946 1.00 8.14 C ATOM 658 C SER A 43 94.706 55.615 -39.600 1.00 10.78 C ATOM 659 O SER A 43 95.596 56.166 -38.958 1.00 12.95 O ATOM 660 CB SER A 43 92.900 55.976 -41.319 1.00 6.82 C ATOM 661 OG SER A 43 93.862 56.163 -42.334 1.00 2.00 O ATOM 662 HA SER A 43 92.687 56.145 -39.182 1.00 0.00 H ATOM 663 HB2 SER A 43 92.019 56.572 -41.556 1.00 0.00 H ATOM 664 HB3 SER A 43 92.625 54.922 -41.285 1.00 0.00 H ATOM 665 HG SER A 43 93.482 55.881 -43.203 1.00 0.00 H ATOM 666 H SER A 43 94.520 58.247 -40.250 1.00 0.00 H ATOM 667 N GLN A 44 94.826 54.362 -40.063 1.00 16.16 N ATOM 668 CA GLN A 44 95.997 53.498 -39.776 1.00 15.35 C ATOM 669 C GLN A 44 96.684 52.754 -40.966 1.00 19.63 C ATOM 670 O GLN A 44 96.341 52.931 -42.151 1.00 16.12 O ATOM 671 CB GLN A 44 95.620 52.475 -38.709 1.00 7.12 C ATOM 672 CG GLN A 44 94.783 53.041 -37.566 1.00 13.79 C ATOM 673 CD GLN A 44 95.298 52.631 -36.187 1.00 18.88 C ATOM 674 OE1 GLN A 44 96.495 52.357 -36.017 1.00 28.22 O ATOM 675 NE2 GLN A 44 94.406 52.583 -35.198 1.00 10.41 N ATOM 676 HA GLN A 44 96.753 54.213 -39.452 1.00 0.00 H ATOM 677 HB2 GLN A 44 95.052 51.677 -39.186 1.00 0.00 H ATOM 678 HB3 GLN A 44 96.538 52.064 -38.289 1.00 0.00 H ATOM 679 HG2 GLN A 44 94.795 54.129 -37.632 1.00 0.00 H ATOM 680 HG3 GLN A 44 93.759 52.683 -37.675 1.00 0.00 H ATOM 681 HE22 GLN A 44 93.411 52.821 -35.383 1.00 0.00 H ATOM 682 HE21 GLN A 44 94.705 52.308 -34.241 1.00 0.00 H ATOM 683 H GLN A 44 94.060 53.977 -40.652 1.00 0.00 H ATOM 684 N GLU A 45 97.680 51.940 -40.609 1.00 27.93 N ATOM 685 CA GLU A 45 98.488 51.110 -41.520 1.00 33.29 C ATOM 686 C GLU A 45 99.394 50.267 -40.595 1.00 34.45 C ATOM 687 O GLU A 45 100.617 50.203 -40.764 1.00 38.73 O ATOM 688 CB GLU A 45 99.323 52.000 -42.489 1.00 38.29 C ATOM 689 CG GLU A 45 100.490 51.326 -43.318 1.00 41.53 C ATOM 690 CD GLU A 45 100.086 50.689 -44.679 1.00 45.82 C ATOM 691 OE1 GLU A 45 100.421 49.500 -44.901 1.00 46.70 O ATOM 692 OE2 GLU A 45 99.496 51.378 -45.548 1.00 45.20 O ATOM 693 HA GLU A 45 97.872 50.478 -42.159 1.00 0.00 H ATOM 694 HB2 GLU A 45 98.627 52.434 -43.207 1.00 0.00 H ATOM 695 HB3 GLU A 45 99.770 52.795 -41.892 1.00 0.00 H ATOM 696 HG2 GLU A 45 101.241 52.090 -43.518 1.00 0.00 H ATOM 697 HG3 GLU A 45 100.927 50.542 -42.700 1.00 0.00 H ATOM 698 H GLU A 45 97.906 51.887 -39.595 1.00 0.00 H ATOM 699 N GLY A 46 98.803 49.691 -39.554 1.00 32.81 N ATOM 700 CA GLY A 46 99.578 48.858 -38.649 1.00 30.86 C ATOM 701 C GLY A 46 100.598 49.597 -37.805 1.00 30.61 C ATOM 702 O GLY A 46 100.309 49.982 -36.674 1.00 33.61 O ATOM 703 HA3 GLY A 46 100.108 48.115 -39.245 1.00 0.00 H ATOM 704 HA2 GLY A 46 98.884 48.355 -37.976 1.00 0.00 H ATOM 705 H GLY A 46 97.787 49.836 -39.387 1.00 0.00 H ATOM 706 N ASP A 47 101.816 49.761 -38.299 1.00 27.81 N ATOM 707 CA ASP A 47 102.792 50.477 -37.485 1.00 28.97 C ATOM 708 C ASP A 47 102.665 51.971 -37.766 1.00 25.77 C ATOM 709 O ASP A 47 103.088 52.809 -36.968 1.00 25.90 O ATOM 710 CB ASP A 47 104.234 49.952 -37.704 1.00 32.00 C ATOM 711 CG ASP A 47 104.744 50.160 -39.124 1.00 34.38 C ATOM 712 OD1 ASP A 47 104.364 49.377 -40.020 1.00 37.64 O ATOM 713 OD2 ASP A 47 105.545 51.099 -39.344 1.00 36.15 O ATOM 714 HA ASP A 47 102.580 50.298 -36.431 1.00 0.00 H ATOM 715 HB2 ASP A 47 104.900 50.474 -37.017 1.00 0.00 H ATOM 716 HB3 ASP A 47 104.251 48.885 -37.483 1.00 0.00 H ATOM 717 H ASP A 47 102.069 49.391 -39.238 1.00 0.00 H ATOM 718 N LYS A 48 102.005 52.277 -38.881 1.00 21.61 N ATOM 719 CA LYS A 48 101.779 53.634 -39.333 1.00 15.83 C ATOM 720 C LYS A 48 100.378 54.107 -38.984 1.00 15.45 C ATOM 721 O LYS A 48 99.429 53.330 -38.989 1.00 15.86 O ATOM 722 CB LYS A 48 101.907 53.697 -40.855 1.00 20.16 C ATOM 723 CG LYS A 48 103.321 53.606 -41.413 1.00 28.03 C ATOM 724 CD LYS A 48 104.153 54.809 -40.977 1.00 32.02 C ATOM 725 CE LYS A 48 105.567 54.749 -41.539 1.00 34.57 C ATOM 726 NZ LYS A 48 106.574 55.332 -40.577 1.00 34.92 N ATOM 727 HA LYS A 48 102.518 54.267 -38.842 1.00 0.00 H ATOM 728 HB2 LYS A 48 101.330 52.872 -41.272 1.00 0.00 H ATOM 729 HB3 LYS A 48 101.478 54.643 -41.187 1.00 0.00 H ATOM 730 HG2 LYS A 48 103.792 52.694 -41.047 1.00 0.00 H ATOM 731 HG3 LYS A 48 103.275 53.578 -42.502 1.00 0.00 H ATOM 732 HD2 LYS A 48 103.670 55.720 -41.331 1.00 0.00 H ATOM 733 HD3 LYS A 48 104.206 54.827 -39.888 1.00 0.00 H ATOM 734 HE2 LYS A 48 105.601 55.312 -42.472 1.00 0.00 H ATOM 735 HE3 LYS A 48 105.826 53.708 -41.735 1.00 0.00 H ATOM 736 HZ1 LYS A 48 106.337 56.327 -40.390 1.00 0.00 H ATOM 737 HZ2 LYS A 48 106.552 54.796 -39.686 1.00 0.00 H ATOM 738 HZ3 LYS A 48 107.525 55.273 -40.995 1.00 0.00 H ATOM 739 H LYS A 48 101.631 51.498 -39.460 1.00 0.00 H ATOM 740 N VAL A 49 100.263 55.404 -38.733 1.00 14.33 N ATOM 741 CA VAL A 49 99.003 56.085 -38.458 1.00 10.31 C ATOM 742 C VAL A 49 99.112 57.269 -39.415 1.00 10.48 C ATOM 743 O VAL A 49 100.165 57.894 -39.476 1.00 14.59 O ATOM 744 CB VAL A 49 98.972 56.588 -37.014 1.00 10.01 C ATOM 745 CG1 VAL A 49 100.343 57.101 -36.643 1.00 9.64 C ATOM 746 CG2 VAL A 49 97.891 57.658 -36.821 1.00 2.00 C ATOM 747 HA VAL A 49 98.115 55.466 -38.583 1.00 0.00 H ATOM 748 HB VAL A 49 98.713 55.764 -36.349 1.00 0.00 H ATOM 749 HG11 VAL A 49 101.069 56.293 -36.736 1.00 0.00 H ATOM 750 HG12 VAL A 49 100.617 57.917 -37.311 1.00 0.00 H ATOM 751 HG13 VAL A 49 100.329 57.461 -35.614 1.00 0.00 H ATOM 752 HG21 VAL A 49 98.096 58.502 -37.479 1.00 0.00 H ATOM 753 HG22 VAL A 49 96.916 57.235 -37.063 1.00 0.00 H ATOM 754 HG23 VAL A 49 97.895 57.994 -35.784 1.00 0.00 H ATOM 755 H VAL A 49 101.132 55.975 -38.732 1.00 0.00 H ATOM 756 N VAL A 50 98.099 57.524 -40.236 1.00 11.37 N ATOM 757 CA VAL A 50 98.187 58.649 -41.174 1.00 8.78 C ATOM 758 C VAL A 50 97.218 59.775 -40.875 1.00 8.42 C ATOM 759 O VAL A 50 96.156 59.557 -40.276 1.00 13.21 O ATOM 760 CB VAL A 50 97.958 58.228 -42.619 1.00 11.90 C ATOM 761 CG1 VAL A 50 98.835 57.013 -42.984 1.00 6.84 C ATOM 762 CG2 VAL A 50 96.477 57.973 -42.848 1.00 15.60 C ATOM 763 HA VAL A 50 99.207 59.009 -41.039 1.00 0.00 H ATOM 764 HB VAL A 50 98.261 59.035 -43.286 1.00 0.00 H ATOM 765 HG11 VAL A 50 99.886 57.274 -42.857 1.00 0.00 H ATOM 766 HG12 VAL A 50 98.585 56.177 -42.331 1.00 0.00 H ATOM 767 HG13 VAL A 50 98.652 56.733 -44.021 1.00 0.00 H ATOM 768 HG21 VAL A 50 96.139 57.180 -42.181 1.00 0.00 H ATOM 769 HG22 VAL A 50 95.917 58.885 -42.643 1.00 0.00 H ATOM 770 HG23 VAL A 50 96.317 57.672 -43.883 1.00 0.00 H ATOM 771 H VAL A 50 97.247 56.928 -40.214 1.00 0.00 H ATOM 772 N ILE A 51 97.578 60.975 -41.312 1.00 4.59 N ATOM 773 CA ILE A 51 96.765 62.161 -41.108 1.00 2.00 C ATOM 774 C ILE A 51 96.754 62.892 -42.452 1.00 3.66 C ATOM 775 O ILE A 51 97.784 63.439 -42.889 1.00 2.01 O ATOM 776 CB ILE A 51 97.364 63.048 -39.941 1.00 4.28 C ATOM 777 CG1 ILE A 51 97.109 62.381 -38.585 1.00 8.89 C ATOM 778 CG2 ILE A 51 96.733 64.428 -39.863 1.00 2.00 C ATOM 779 CD1 ILE A 51 97.240 63.325 -37.387 1.00 8.55 C ATOM 780 HA ILE A 51 95.748 61.919 -40.800 1.00 0.00 H ATOM 781 HB ILE A 51 98.427 63.145 -40.162 1.00 0.00 H ATOM 782 HG12 ILE A 51 96.099 61.972 -38.589 1.00 0.00 H ATOM 783 HG13 ILE A 51 97.827 61.570 -38.462 1.00 0.00 H ATOM 784 HD11 ILE A 51 98.250 63.735 -37.358 1.00 0.00 H ATOM 785 HD12 ILE A 51 96.519 64.137 -37.485 1.00 0.00 H ATOM 786 HD13 ILE A 51 97.044 62.773 -36.468 1.00 0.00 H ATOM 787 HG21 ILE A 51 96.901 64.956 -40.802 1.00 0.00 H ATOM 788 HG22 ILE A 51 95.662 64.327 -39.688 1.00 0.00 H ATOM 789 HG23 ILE A 51 97.185 64.987 -39.044 1.00 0.00 H ATOM 790 H ILE A 51 98.480 61.070 -41.822 1.00 0.00 H ATOM 791 N ARG A 52 95.648 62.754 -43.181 1.00 5.34 N ATOM 792 CA ARG A 52 95.488 63.429 -44.474 1.00 10.10 C ATOM 793 C ARG A 52 94.644 64.655 -44.200 1.00 9.84 C ATOM 794 O ARG A 52 93.761 64.614 -43.343 1.00 9.68 O ATOM 795 CB ARG A 52 94.735 62.569 -45.487 1.00 14.97 C ATOM 796 CG ARG A 52 95.562 61.530 -46.230 1.00 28.43 C ATOM 797 CD ARG A 52 95.873 60.283 -45.380 1.00 38.97 C ATOM 798 NE ARG A 52 95.001 59.142 -45.685 1.00 43.67 N ATOM 799 CZ ARG A 52 95.037 58.455 -46.825 1.00 45.19 C ATOM 800 NH1 ARG A 52 95.905 58.788 -47.782 1.00 43.54 N ATOM 801 NH2 ARG A 52 94.199 57.442 -47.012 1.00 43.44 N ATOM 802 HA ARG A 52 96.471 63.651 -44.890 1.00 0.00 H ATOM 803 HB2 ARG A 52 93.942 62.045 -44.954 1.00 0.00 H ATOM 804 HB3 ARG A 52 94.294 63.236 -46.228 1.00 0.00 H ATOM 805 HG2 ARG A 52 95.011 61.217 -47.117 1.00 0.00 H ATOM 806 HG3 ARG A 52 96.504 61.988 -46.532 1.00 0.00 H ATOM 807 HD2 ARG A 52 95.751 60.541 -44.328 1.00 0.00 H ATOM 808 HD3 ARG A 52 96.906 59.988 -45.563 1.00 0.00 H ATOM 809 HE ARG A 52 94.310 58.851 -44.964 1.00 0.00 H ATOM 810 HH12 ARG A 52 95.931 58.249 -48.671 1.00 0.00 H ATOM 811 HH11 ARG A 52 96.556 59.586 -47.639 1.00 0.00 H ATOM 812 HH22 ARG A 52 94.225 56.903 -47.901 1.00 0.00 H ATOM 813 HH21 ARG A 52 93.517 57.187 -46.269 1.00 0.00 H ATOM 814 H ARG A 52 94.878 62.152 -42.825 1.00 0.00 H ATOM 815 N THR A 53 94.930 65.752 -44.884 1.00 8.12 N ATOM 816 CA THR A 53 94.145 66.959 -44.695 1.00 8.28 C ATOM 817 C THR A 53 93.785 67.474 -46.068 1.00 11.03 C ATOM 818 O THR A 53 94.647 67.571 -46.943 1.00 15.90 O ATOM 819 CB THR A 53 94.901 68.013 -43.897 1.00 7.43 C ATOM 820 OG1 THR A 53 95.322 67.438 -42.651 1.00 9.62 O ATOM 821 CG2 THR A 53 93.984 69.182 -43.593 1.00 5.13 C ATOM 822 HA THR A 53 93.249 66.732 -44.117 1.00 0.00 H ATOM 823 HB THR A 53 95.759 68.355 -44.475 1.00 0.00 H ATOM 824 HG1 THR A 53 95.815 68.117 -42.125 1.00 0.00 H ATOM 825 HG23 THR A 53 93.652 69.634 -44.528 1.00 0.00 H ATOM 826 HG21 THR A 53 93.119 68.828 -43.032 1.00 0.00 H ATOM 827 HG22 THR A 53 94.524 69.922 -43.002 1.00 0.00 H ATOM 828 H THR A 53 95.721 65.749 -45.560 1.00 0.00 H ATOM 829 N LEU A 54 92.506 67.750 -46.282 1.00 9.34 N ATOM 830 CA LEU A 54 92.045 68.210 -47.581 1.00 10.07 C ATOM 831 C LEU A 54 91.361 69.575 -47.519 1.00 9.96 C ATOM 832 O LEU A 54 90.456 69.797 -46.704 1.00 9.22 O ATOM 833 CB LEU A 54 91.079 67.171 -48.180 1.00 12.47 C ATOM 834 CG LEU A 54 91.456 65.692 -48.100 1.00 2.00 C ATOM 835 CD1 LEU A 54 90.331 64.840 -48.595 1.00 2.00 C ATOM 836 CD2 LEU A 54 92.706 65.474 -48.912 1.00 2.00 C ATOM 837 HA LEU A 54 92.925 68.324 -48.214 1.00 0.00 H ATOM 838 HB2 LEU A 54 90.123 67.288 -47.669 1.00 0.00 H ATOM 839 HB3 LEU A 54 90.957 67.415 -49.235 1.00 0.00 H ATOM 840 HG LEU A 54 91.646 65.408 -47.065 1.00 0.00 H ATOM 841 HD21 LEU A 54 92.518 65.756 -49.948 1.00 0.00 H ATOM 842 HD22 LEU A 54 93.512 66.087 -48.508 1.00 0.00 H ATOM 843 HD23 LEU A 54 92.989 64.422 -48.866 1.00 0.00 H ATOM 844 HD11 LEU A 54 89.447 65.015 -47.982 1.00 0.00 H ATOM 845 HD12 LEU A 54 90.112 65.096 -49.632 1.00 0.00 H ATOM 846 HD13 LEU A 54 90.617 63.790 -48.531 1.00 0.00 H ATOM 847 H LEU A 54 91.821 67.635 -45.507 1.00 0.00 H ATOM 848 N SER A 55 91.765 70.466 -48.422 1.00 12.62 N ATOM 849 CA SER A 55 91.218 71.818 -48.501 1.00 9.35 C ATOM 850 C SER A 55 91.234 72.283 -49.945 1.00 6.79 C ATOM 851 O SER A 55 91.845 71.634 -50.791 1.00 2.01 O ATOM 852 CB SER A 55 92.086 72.774 -47.686 1.00 6.32 C ATOM 853 OG SER A 55 93.216 73.217 -48.431 1.00 5.26 O ATOM 854 HA SER A 55 90.200 71.811 -48.112 1.00 0.00 H ATOM 855 HB2 SER A 55 92.432 72.261 -46.789 1.00 0.00 H ATOM 856 HB3 SER A 55 91.488 73.640 -47.400 1.00 0.00 H ATOM 857 HG SER A 55 93.767 72.436 -48.689 1.00 0.00 H ATOM 858 H SER A 55 92.502 70.187 -49.101 1.00 0.00 H ATOM 859 N THR A 56 90.578 73.421 -50.204 1.00 11.63 N ATOM 860 CA THR A 56 90.543 74.063 -51.535 1.00 13.20 C ATOM 861 C THR A 56 91.806 74.940 -51.644 1.00 13.60 C ATOM 862 O THR A 56 91.732 76.121 -51.978 1.00 14.36 O ATOM 863 CB THR A 56 89.324 75.013 -51.709 1.00 12.66 C ATOM 864 OG1 THR A 56 88.450 74.935 -50.569 1.00 13.10 O ATOM 865 CG2 THR A 56 88.570 74.667 -52.976 1.00 9.94 C ATOM 866 HA THR A 56 90.481 73.279 -52.290 1.00 0.00 H ATOM 867 HB THR A 56 89.692 76.036 -51.787 1.00 0.00 H ATOM 868 HG1 THR A 56 87.683 75.546 -50.701 1.00 0.00 H ATOM 869 HG23 THR A 56 89.246 74.731 -53.829 1.00 0.00 H ATOM 870 HG21 THR A 56 88.177 73.653 -52.898 1.00 0.00 H ATOM 871 HG22 THR A 56 87.747 75.368 -53.110 1.00 0.00 H ATOM 872 H THR A 56 90.064 73.879 -49.425 1.00 0.00 H ATOM 873 N PHE A 57 92.953 74.367 -51.308 1.00 13.45 N ATOM 874 CA PHE A 57 94.205 75.088 -51.345 1.00 12.14 C ATOM 875 C PHE A 57 95.308 74.047 -51.353 1.00 13.93 C ATOM 876 O PHE A 57 96.029 73.905 -52.327 1.00 10.97 O ATOM 877 CB PHE A 57 94.308 75.978 -50.106 1.00 13.25 C ATOM 878 CG PHE A 57 95.664 76.592 -49.903 1.00 11.77 C ATOM 879 CD1 PHE A 57 96.336 76.433 -48.685 1.00 9.98 C ATOM 880 CD2 PHE A 57 96.270 77.331 -50.917 1.00 7.26 C ATOM 881 CE1 PHE A 57 97.589 77.004 -48.479 1.00 8.09 C ATOM 882 CE2 PHE A 57 97.519 77.903 -50.724 1.00 6.60 C ATOM 883 CZ PHE A 57 98.180 77.740 -49.499 1.00 9.52 C ATOM 884 HA PHE A 57 94.281 75.727 -52.225 1.00 0.00 H ATOM 885 HB2 PHE A 57 93.578 76.782 -50.200 1.00 0.00 H ATOM 886 HB3 PHE A 57 94.071 75.374 -49.230 1.00 0.00 H ATOM 887 HD2 PHE A 57 95.758 77.461 -51.870 1.00 0.00 H ATOM 888 HE2 PHE A 57 97.985 78.478 -51.524 1.00 0.00 H ATOM 889 HZ PHE A 57 99.160 78.192 -49.346 1.00 0.00 H ATOM 890 HE1 PHE A 57 98.102 76.875 -47.526 1.00 0.00 H ATOM 891 HD1 PHE A 57 95.872 75.854 -47.887 1.00 0.00 H ATOM 892 H PHE A 57 92.952 73.371 -51.009 1.00 0.00 H ATOM 893 N LYS A 58 95.432 73.315 -50.257 1.00 19.16 N ATOM 894 CA LYS A 58 96.445 72.276 -50.145 1.00 20.32 C ATOM 895 C LYS A 58 95.945 71.036 -49.406 1.00 19.65 C ATOM 896 O LYS A 58 95.050 71.099 -48.549 1.00 17.32 O ATOM 897 CB LYS A 58 97.697 72.817 -49.469 1.00 23.60 C ATOM 898 CG LYS A 58 98.599 73.615 -50.401 1.00 30.14 C ATOM 899 CD LYS A 58 99.831 74.135 -49.672 1.00 32.99 C ATOM 900 CE LYS A 58 100.802 74.811 -50.632 1.00 35.30 C ATOM 901 NZ LYS A 58 101.881 75.537 -49.891 1.00 38.11 N ATOM 902 HA LYS A 58 96.685 71.968 -51.163 1.00 0.00 H ATOM 903 HB2 LYS A 58 97.392 73.464 -48.647 1.00 0.00 H ATOM 904 HB3 LYS A 58 98.267 71.975 -49.075 1.00 0.00 H ATOM 905 HG2 LYS A 58 98.917 72.973 -51.222 1.00 0.00 H ATOM 906 HG3 LYS A 58 98.039 74.461 -50.799 1.00 0.00 H ATOM 907 HD2 LYS A 58 99.518 74.856 -48.917 1.00 0.00 H ATOM 908 HD3 LYS A 58 100.335 73.299 -49.187 1.00 0.00 H ATOM 909 HE2 LYS A 58 100.254 75.523 -51.249 1.00 0.00 H ATOM 910 HE3 LYS A 58 101.257 74.053 -51.270 1.00 0.00 H ATOM 911 HZ1 LYS A 58 101.453 76.265 -49.284 1.00 0.00 H ATOM 912 HZ2 LYS A 58 102.411 74.862 -49.304 1.00 0.00 H ATOM 913 HZ3 LYS A 58 102.526 75.986 -50.572 1.00 0.00 H ATOM 914 H LYS A 58 94.790 73.486 -49.457 1.00 0.00 H ATOM 915 N ASN A 59 96.527 69.907 -49.774 1.00 18.13 N ATOM 916 CA ASN A 59 96.195 68.632 -49.172 1.00 16.48 C ATOM 917 C ASN A 59 97.528 68.087 -48.724 1.00 12.84 C ATOM 918 O ASN A 59 98.445 67.988 -49.523 1.00 14.66 O ATOM 919 CB ASN A 59 95.546 67.724 -50.210 1.00 17.94 C ATOM 920 CG ASN A 59 94.234 68.277 -50.711 1.00 23.61 C ATOM 921 OD1 ASN A 59 93.539 68.979 -49.984 1.00 23.86 O ATOM 922 ND2 ASN A 59 93.890 67.980 -51.959 1.00 27.18 N ATOM 923 HA ASN A 59 95.486 68.711 -48.348 1.00 0.00 H ATOM 924 HB2 ASN A 59 96.226 67.614 -51.055 1.00 0.00 H ATOM 925 HB3 ASN A 59 95.367 66.748 -49.760 1.00 0.00 H ATOM 926 HD22 ASN A 59 94.510 67.381 -52.541 1.00 0.00 H ATOM 927 HD21 ASN A 59 93.001 68.347 -52.355 1.00 0.00 H ATOM 928 H ASN A 59 97.249 69.936 -50.522 1.00 0.00 H ATOM 929 N THR A 60 97.658 67.782 -47.443 1.00 12.09 N ATOM 930 CA THR A 60 98.921 67.282 -46.927 1.00 12.08 C ATOM 931 C THR A 60 98.782 66.028 -46.089 1.00 10.69 C ATOM 932 O THR A 60 98.033 65.982 -45.102 1.00 11.73 O ATOM 933 CB THR A 60 99.699 68.385 -46.136 1.00 15.66 C ATOM 934 OG1 THR A 60 98.842 68.981 -45.146 1.00 16.87 O ATOM 935 CG2 THR A 60 100.246 69.472 -47.090 1.00 8.08 C ATOM 936 HA THR A 60 99.501 67.005 -47.807 1.00 0.00 H ATOM 937 HB THR A 60 100.546 67.913 -45.638 1.00 0.00 H ATOM 938 HG1 THR A 60 98.534 68.283 -44.514 1.00 0.00 H ATOM 939 HG23 THR A 60 100.893 69.008 -47.834 1.00 0.00 H ATOM 940 HG21 THR A 60 99.413 69.968 -47.589 1.00 0.00 H ATOM 941 HG22 THR A 60 100.816 70.203 -46.517 1.00 0.00 H ATOM 942 H THR A 60 96.849 67.901 -46.800 1.00 0.00 H ATOM 943 N GLU A 61 99.604 65.052 -46.459 1.00 12.31 N ATOM 944 CA GLU A 61 99.669 63.708 -45.871 1.00 9.20 C ATOM 945 C GLU A 61 100.886 63.431 -45.001 1.00 9.07 C ATOM 946 O GLU A 61 102.023 63.585 -45.480 1.00 11.27 O ATOM 947 CB GLU A 61 99.814 62.715 -47.010 1.00 7.64 C ATOM 948 CG GLU A 61 98.583 62.098 -47.521 1.00 18.80 C ATOM 949 CD GLU A 61 98.738 60.588 -47.589 1.00 20.95 C ATOM 950 OE1 GLU A 61 98.873 59.983 -46.505 1.00 14.59 O ATOM 951 OE2 GLU A 61 98.752 60.021 -48.712 1.00 25.09 O ATOM 952 HA GLU A 61 98.770 63.625 -45.260 1.00 0.00 H ATOM 953 HB2 GLU A 61 100.290 63.235 -47.841 1.00 0.00 H ATOM 954 HB3 GLU A 61 100.465 61.912 -46.665 1.00 0.00 H ATOM 955 HG2 GLU A 61 97.754 62.345 -46.857 1.00 0.00 H ATOM 956 HG3 GLU A 61 98.375 62.484 -48.519 1.00 0.00 H ATOM 957 H GLU A 61 100.262 65.259 -47.237 1.00 0.00 H ATOM 958 N ILE A 62 100.690 62.979 -43.763 1.00 4.58 N ATOM 959 CA ILE A 62 101.849 62.596 -42.955 1.00 4.34 C ATOM 960 C ILE A 62 101.592 61.180 -42.434 1.00 8.31 C ATOM 961 O ILE A 62 100.482 60.866 -42.009 1.00 12.27 O ATOM 962 CB ILE A 62 102.133 63.509 -41.736 1.00 2.00 C ATOM 963 CG1 ILE A 62 100.986 63.427 -40.734 1.00 2.91 C ATOM 964 CG2 ILE A 62 102.527 64.920 -42.156 1.00 2.00 C ATOM 965 CD1 ILE A 62 101.315 64.041 -39.425 1.00 2.01 C ATOM 966 HA ILE A 62 102.722 62.679 -43.602 1.00 0.00 H ATOM 967 HB ILE A 62 103.013 63.141 -41.209 1.00 0.00 H ATOM 968 HG12 ILE A 62 100.121 63.943 -41.152 1.00 0.00 H ATOM 969 HG13 ILE A 62 100.739 62.378 -40.573 1.00 0.00 H ATOM 970 HD11 ILE A 62 102.173 63.528 -38.990 1.00 0.00 H ATOM 971 HD12 ILE A 62 101.555 65.094 -39.569 1.00 0.00 H ATOM 972 HD13 ILE A 62 100.459 63.950 -38.757 1.00 0.00 H ATOM 973 HG21 ILE A 62 103.429 64.877 -42.767 1.00 0.00 H ATOM 974 HG22 ILE A 62 101.717 65.366 -42.733 1.00 0.00 H ATOM 975 HG23 ILE A 62 102.716 65.523 -41.268 1.00 0.00 H ATOM 976 H ILE A 62 99.728 62.899 -43.376 1.00 0.00 H ATOM 977 N SER A 63 102.587 60.312 -42.521 1.00 6.83 N ATOM 978 CA SER A 63 102.449 58.953 -42.027 1.00 8.40 C ATOM 979 C SER A 63 103.633 58.737 -41.107 1.00 10.40 C ATOM 980 O SER A 63 104.788 58.975 -41.485 1.00 10.09 O ATOM 981 CB SER A 63 102.483 57.962 -43.173 1.00 9.18 C ATOM 982 OG SER A 63 102.819 58.622 -44.377 1.00 13.70 O ATOM 983 HA SER A 63 101.500 58.806 -41.511 1.00 0.00 H ATOM 984 HB2 SER A 63 101.502 57.498 -43.278 1.00 0.00 H ATOM 985 HB3 SER A 63 103.227 57.193 -42.963 1.00 0.00 H ATOM 986 HG SER A 63 102.838 57.965 -45.118 1.00 0.00 H ATOM 987 H SER A 63 103.486 60.609 -42.952 1.00 0.00 H ATOM 988 N PHE A 64 103.355 58.234 -39.918 1.00 7.18 N ATOM 989 CA PHE A 64 104.394 58.070 -38.939 1.00 5.68 C ATOM 990 C PHE A 64 104.065 56.967 -37.978 1.00 9.87 C ATOM 991 O PHE A 64 102.929 56.461 -37.932 1.00 9.40 O ATOM 992 CB PHE A 64 104.490 59.358 -38.130 1.00 9.02 C ATOM 993 CG PHE A 64 103.158 59.814 -37.558 1.00 9.33 C ATOM 994 CD1 PHE A 64 102.777 59.462 -36.275 1.00 8.42 C ATOM 995 CD2 PHE A 64 102.274 60.572 -38.329 1.00 11.71 C ATOM 996 CE1 PHE A 64 101.541 59.856 -35.777 1.00 12.11 C ATOM 997 CE2 PHE A 64 101.039 60.967 -37.832 1.00 7.62 C ATOM 998 CZ PHE A 64 100.669 60.612 -36.564 1.00 6.81 C ATOM 999 HA PHE A 64 105.323 57.834 -39.457 1.00 0.00 H ATOM 1000 HB2 PHE A 64 105.183 59.197 -37.305 1.00 0.00 H ATOM 1001 HB3 PHE A 64 104.875 60.145 -38.778 1.00 0.00 H ATOM 1002 HD2 PHE A 64 102.559 60.859 -39.341 1.00 0.00 H ATOM 1003 HE2 PHE A 64 100.365 61.559 -38.451 1.00 0.00 H ATOM 1004 HZ PHE A 64 99.700 60.917 -36.170 1.00 0.00 H ATOM 1005 HE1 PHE A 64 101.250 59.573 -34.765 1.00 0.00 H ATOM 1006 HD1 PHE A 64 103.450 58.873 -35.652 1.00 0.00 H ATOM 1007 H PHE A 64 102.380 57.955 -39.689 1.00 0.00 H ATOM 1008 N GLN A 65 105.063 56.659 -37.158 1.00 9.96 N ATOM 1009 CA GLN A 65 104.938 55.661 -36.110 1.00 12.81 C ATOM 1010 C GLN A 65 104.937 56.514 -34.840 1.00 10.40 C ATOM 1011 O GLN A 65 105.750 57.430 -34.697 1.00 5.44 O ATOM 1012 CB GLN A 65 106.144 54.701 -36.128 1.00 18.27 C ATOM 1013 CG GLN A 65 105.990 53.438 -35.278 1.00 19.81 C ATOM 1014 CD GLN A 65 106.794 52.256 -35.822 1.00 24.11 C ATOM 1015 OE1 GLN A 65 106.694 51.910 -37.009 1.00 20.51 O ATOM 1016 NE2 GLN A 65 107.597 51.629 -34.954 1.00 26.15 N ATOM 1017 HA GLN A 65 104.056 55.029 -36.209 1.00 0.00 H ATOM 1018 HB2 GLN A 65 106.314 54.394 -37.160 1.00 0.00 H ATOM 1019 HB3 GLN A 65 107.014 55.247 -35.765 1.00 0.00 H ATOM 1020 HG2 GLN A 65 106.331 53.655 -34.266 1.00 0.00 H ATOM 1021 HG3 GLN A 65 104.936 53.161 -35.253 1.00 0.00 H ATOM 1022 HE22 GLN A 65 107.650 51.953 -33.967 1.00 0.00 H ATOM 1023 HE21 GLN A 65 108.168 50.818 -35.266 1.00 0.00 H ATOM 1024 H GLN A 65 105.971 57.153 -37.271 1.00 0.00 H ATOM 1025 N LEU A 66 103.983 56.265 -33.953 1.00 9.14 N ATOM 1026 CA LEU A 66 103.925 57.039 -32.727 1.00 9.12 C ATOM 1027 C LEU A 66 105.282 57.149 -32.050 1.00 9.32 C ATOM 1028 O LEU A 66 106.139 56.279 -32.192 1.00 13.11 O ATOM 1029 CB LEU A 66 102.869 56.473 -31.769 1.00 3.91 C ATOM 1030 CG LEU A 66 101.522 57.215 -31.797 1.00 2.00 C ATOM 1031 CD1 LEU A 66 101.045 57.489 -33.218 1.00 3.90 C ATOM 1032 CD2 LEU A 66 100.507 56.412 -31.065 1.00 2.00 C ATOM 1033 HA LEU A 66 103.627 58.051 -33.001 1.00 0.00 H ATOM 1034 HB2 LEU A 66 102.690 55.431 -32.035 1.00 0.00 H ATOM 1035 HB3 LEU A 66 103.266 56.524 -30.755 1.00 0.00 H ATOM 1036 HG LEU A 66 101.660 58.182 -31.313 1.00 0.00 H ATOM 1037 HD21 LEU A 66 100.400 55.439 -31.545 1.00 0.00 H ATOM 1038 HD22 LEU A 66 100.829 56.276 -30.033 1.00 0.00 H ATOM 1039 HD23 LEU A 66 99.551 56.935 -31.083 1.00 0.00 H ATOM 1040 HD11 LEU A 66 101.782 58.104 -33.735 1.00 0.00 H ATOM 1041 HD12 LEU A 66 100.923 56.544 -33.747 1.00 0.00 H ATOM 1042 HD13 LEU A 66 100.091 58.014 -33.185 1.00 0.00 H ATOM 1043 H LEU A 66 103.281 55.520 -34.135 1.00 0.00 H ATOM 1044 N GLY A 67 105.517 58.294 -31.433 1.00 10.03 N ATOM 1045 CA GLY A 67 106.758 58.513 -30.723 1.00 9.60 C ATOM 1046 C GLY A 67 108.000 58.599 -31.577 1.00 8.61 C ATOM 1047 O GLY A 67 109.051 59.003 -31.084 1.00 10.01 O ATOM 1048 HA3 GLY A 67 106.891 57.690 -30.021 1.00 0.00 H ATOM 1049 HA2 GLY A 67 106.667 59.448 -30.171 1.00 0.00 H ATOM 1050 H GLY A 67 104.800 59.047 -31.458 1.00 0.00 H ATOM 1051 N GLU A 68 107.903 58.236 -32.846 1.00 10.32 N ATOM 1052 CA GLU A 68 109.075 58.289 -33.709 1.00 14.43 C ATOM 1053 C GLU A 68 109.190 59.636 -34.410 1.00 10.84 C ATOM 1054 O GLU A 68 108.198 60.176 -34.913 1.00 11.34 O ATOM 1055 CB GLU A 68 109.069 57.107 -34.703 1.00 21.19 C ATOM 1056 CG GLU A 68 109.810 57.335 -36.027 1.00 29.62 C ATOM 1057 CD GLU A 68 108.855 57.551 -37.231 1.00 35.25 C ATOM 1058 OE1 GLU A 68 109.177 57.045 -38.328 1.00 38.06 O ATOM 1059 OE2 GLU A 68 107.789 58.212 -37.094 1.00 35.71 O ATOM 1060 HA GLU A 68 109.965 58.188 -33.088 1.00 0.00 H ATOM 1061 HB2 GLU A 68 109.528 56.252 -34.207 1.00 0.00 H ATOM 1062 HB3 GLU A 68 108.030 56.874 -34.938 1.00 0.00 H ATOM 1063 HG2 GLU A 68 110.443 58.217 -35.923 1.00 0.00 H ATOM 1064 HG3 GLU A 68 110.433 56.464 -36.230 1.00 0.00 H ATOM 1065 H GLU A 68 106.991 57.913 -33.227 1.00 0.00 H ATOM 1066 N GLU A 69 110.389 60.207 -34.363 1.00 9.50 N ATOM 1067 CA GLU A 69 110.660 61.495 -34.993 1.00 10.44 C ATOM 1068 C GLU A 69 110.650 61.333 -36.515 1.00 10.94 C ATOM 1069 O GLU A 69 110.880 60.234 -37.024 1.00 14.35 O ATOM 1070 CB GLU A 69 112.001 62.034 -34.494 1.00 8.32 C ATOM 1071 CG GLU A 69 112.571 63.179 -35.318 1.00 19.34 C ATOM 1072 CD GLU A 69 113.477 64.117 -34.507 1.00 24.75 C ATOM 1073 OE1 GLU A 69 114.053 63.697 -33.473 1.00 26.79 O ATOM 1074 OE2 GLU A 69 113.603 65.292 -34.909 1.00 26.24 O ATOM 1075 HA GLU A 69 109.886 62.214 -34.726 1.00 0.00 H ATOM 1076 HB2 GLU A 69 111.867 62.385 -33.471 1.00 0.00 H ATOM 1077 HB3 GLU A 69 112.721 61.216 -34.504 1.00 0.00 H ATOM 1078 HG2 GLU A 69 113.153 62.759 -36.139 1.00 0.00 H ATOM 1079 HG3 GLU A 69 111.743 63.761 -35.722 1.00 0.00 H ATOM 1080 H GLU A 69 111.159 59.720 -33.861 1.00 0.00 H ATOM 1081 N PHE A 70 110.323 62.394 -37.242 1.00 9.38 N ATOM 1082 CA PHE A 70 110.298 62.323 -38.700 1.00 9.44 C ATOM 1083 C PHE A 70 110.345 63.727 -39.280 1.00 9.52 C ATOM 1084 O PHE A 70 110.279 64.709 -38.546 1.00 11.98 O ATOM 1085 CB PHE A 70 109.063 61.553 -39.209 1.00 9.70 C ATOM 1086 CG PHE A 70 107.736 62.207 -38.881 1.00 9.45 C ATOM 1087 CD1 PHE A 70 106.958 62.776 -39.889 1.00 10.92 C ATOM 1088 CD2 PHE A 70 107.255 62.239 -37.577 1.00 11.25 C ATOM 1089 CE1 PHE A 70 105.728 63.367 -39.609 1.00 3.85 C ATOM 1090 CE2 PHE A 70 106.024 62.830 -37.291 1.00 11.76 C ATOM 1091 CZ PHE A 70 105.262 63.396 -38.318 1.00 8.10 C ATOM 1092 HA PHE A 70 111.176 61.771 -39.035 1.00 0.00 H ATOM 1093 HB2 PHE A 70 109.140 61.463 -40.293 1.00 0.00 H ATOM 1094 HB3 PHE A 70 109.073 60.559 -38.762 1.00 0.00 H ATOM 1095 HD2 PHE A 70 107.844 61.799 -36.772 1.00 0.00 H ATOM 1096 HE2 PHE A 70 105.656 62.851 -36.265 1.00 0.00 H ATOM 1097 HZ PHE A 70 104.301 63.859 -38.094 1.00 0.00 H ATOM 1098 HE1 PHE A 70 105.137 63.805 -40.413 1.00 0.00 H ATOM 1099 HD1 PHE A 70 107.320 62.758 -40.917 1.00 0.00 H ATOM 1100 H PHE A 70 110.082 63.287 -36.767 1.00 0.00 H ATOM 1101 N ASP A 71 110.510 63.829 -40.590 1.00 7.97 N ATOM 1102 CA ASP A 71 110.584 65.127 -41.231 1.00 8.21 C ATOM 1103 C ASP A 71 109.219 65.393 -41.821 1.00 7.96 C ATOM 1104 O ASP A 71 108.586 64.483 -42.359 1.00 10.66 O ATOM 1105 CB ASP A 71 111.626 65.137 -42.371 1.00 11.90 C ATOM 1106 CG ASP A 71 112.867 64.313 -42.054 1.00 14.85 C ATOM 1107 OD1 ASP A 71 112.774 63.069 -42.139 1.00 20.00 O ATOM 1108 OD2 ASP A 71 113.929 64.896 -41.733 1.00 11.56 O ATOM 1109 HA ASP A 71 110.881 65.883 -40.504 1.00 0.00 H ATOM 1110 HB2 ASP A 71 111.161 64.732 -43.270 1.00 0.00 H ATOM 1111 HB3 ASP A 71 111.931 66.167 -42.554 1.00 0.00 H ATOM 1112 H ASP A 71 110.587 62.967 -41.166 1.00 0.00 H ATOM 1113 N GLU A 72 108.745 66.620 -41.697 1.00 4.68 N ATOM 1114 CA GLU A 72 107.470 66.958 -42.277 1.00 7.75 C ATOM 1115 C GLU A 72 107.565 68.368 -42.824 1.00 13.25 C ATOM 1116 O GLU A 72 108.043 69.278 -42.126 1.00 16.61 O ATOM 1117 CB GLU A 72 106.359 66.855 -41.247 1.00 6.52 C ATOM 1118 CG GLU A 72 106.035 68.116 -40.494 1.00 7.61 C ATOM 1119 CD GLU A 72 104.648 68.057 -39.887 1.00 11.51 C ATOM 1120 OE1 GLU A 72 104.517 68.213 -38.654 1.00 10.81 O ATOM 1121 OE2 GLU A 72 103.684 67.827 -40.647 1.00 13.57 O ATOM 1122 HA GLU A 72 107.230 66.259 -43.078 1.00 0.00 H ATOM 1123 HB2 GLU A 72 105.455 66.534 -41.764 1.00 0.00 H ATOM 1124 HB3 GLU A 72 106.649 66.097 -40.519 1.00 0.00 H ATOM 1125 HG2 GLU A 72 106.766 68.251 -39.697 1.00 0.00 H ATOM 1126 HG3 GLU A 72 106.087 68.962 -41.179 1.00 0.00 H ATOM 1127 H GLU A 72 109.291 67.340 -41.182 1.00 0.00 H ATOM 1128 N THR A 73 107.238 68.530 -44.101 1.00 12.32 N ATOM 1129 CA THR A 73 107.271 69.847 -44.708 1.00 12.33 C ATOM 1130 C THR A 73 105.855 70.366 -44.491 1.00 13.66 C ATOM 1131 O THR A 73 104.918 69.896 -45.141 1.00 16.10 O ATOM 1132 CB THR A 73 107.582 69.780 -46.218 1.00 12.04 C ATOM 1133 OG1 THR A 73 108.773 69.020 -46.443 1.00 11.80 O ATOM 1134 CG2 THR A 73 107.804 71.164 -46.763 1.00 17.16 C ATOM 1135 HA THR A 73 108.047 70.479 -44.276 1.00 0.00 H ATOM 1136 HB THR A 73 106.735 69.310 -46.717 1.00 0.00 H ATOM 1137 HG1 THR A 73 109.531 69.450 -45.974 1.00 0.00 H ATOM 1138 HG23 THR A 73 106.908 71.764 -46.603 1.00 0.00 H ATOM 1139 HG21 THR A 73 108.648 71.624 -46.249 1.00 0.00 H ATOM 1140 HG22 THR A 73 108.016 71.103 -47.830 1.00 0.00 H ATOM 1141 H THR A 73 106.956 67.706 -44.670 1.00 0.00 H ATOM 1142 N THR A 74 105.692 71.263 -43.517 1.00 12.48 N ATOM 1143 CA THR A 74 104.385 71.832 -43.172 1.00 9.90 C ATOM 1144 C THR A 74 103.727 72.528 -44.380 1.00 11.96 C ATOM 1145 O THR A 74 104.422 73.017 -45.286 1.00 12.06 O ATOM 1146 CB THR A 74 104.504 72.839 -41.991 1.00 9.38 C ATOM 1147 OG1 THR A 74 105.222 74.006 -42.417 1.00 10.68 O ATOM 1148 CG2 THR A 74 105.243 72.220 -40.794 1.00 3.04 C ATOM 1149 HA THR A 74 103.751 70.999 -42.867 1.00 0.00 H ATOM 1150 HB THR A 74 103.493 73.103 -41.682 1.00 0.00 H ATOM 1151 HG1 THR A 74 104.737 74.435 -43.166 1.00 0.00 H ATOM 1152 HG23 THR A 74 104.709 71.331 -40.459 1.00 0.00 H ATOM 1153 HG21 THR A 74 106.254 71.946 -41.095 1.00 0.00 H ATOM 1154 HG22 THR A 74 105.289 72.946 -39.982 1.00 0.00 H ATOM 1155 H THR A 74 106.527 71.572 -42.980 1.00 0.00 H ATOM 1156 N ALA A 75 102.395 72.555 -44.399 1.00 9.04 N ATOM 1157 CA ALA A 75 101.662 73.187 -45.489 1.00 11.02 C ATOM 1158 C ALA A 75 102.232 74.583 -45.826 1.00 11.09 C ATOM 1159 O ALA A 75 102.371 74.942 -47.000 1.00 11.03 O ATOM 1160 CB ALA A 75 100.175 73.285 -45.137 1.00 11.82 C ATOM 1161 HA ALA A 75 101.778 72.564 -46.376 1.00 0.00 H ATOM 1162 HB1 ALA A 75 99.776 72.285 -44.970 1.00 0.00 H ATOM 1163 HB2 ALA A 75 100.056 73.881 -44.232 1.00 0.00 H ATOM 1164 HB3 ALA A 75 99.639 73.759 -45.959 1.00 0.00 H ATOM 1165 H ALA A 75 101.866 72.115 -43.619 1.00 0.00 H ATOM 1166 N ASP A 76 102.542 75.374 -44.803 1.00 5.54 N ATOM 1167 CA ASP A 76 103.113 76.695 -45.037 1.00 8.89 C ATOM 1168 C ASP A 76 104.629 76.648 -45.283 1.00 13.19 C ATOM 1169 O ASP A 76 105.356 77.580 -44.940 1.00 12.07 O ATOM 1170 CB ASP A 76 102.795 77.642 -43.894 1.00 4.39 C ATOM 1171 CG ASP A 76 103.210 77.099 -42.562 1.00 6.22 C ATOM 1172 OD1 ASP A 76 103.384 77.896 -41.631 1.00 5.82 O ATOM 1173 OD2 ASP A 76 103.341 75.869 -42.425 1.00 8.44 O ATOM 1174 HA ASP A 76 102.647 77.073 -45.947 1.00 0.00 H ATOM 1175 HB2 ASP A 76 103.317 78.583 -44.065 1.00 0.00 H ATOM 1176 HB3 ASP A 76 101.720 77.822 -43.878 1.00 0.00 H ATOM 1177 H ASP A 76 102.376 75.048 -43.829 1.00 0.00 H ATOM 1178 N ASP A 77 105.095 75.516 -45.798 1.00 15.24 N ATOM 1179 CA ASP A 77 106.485 75.307 -46.164 1.00 17.92 C ATOM 1180 C ASP A 77 107.573 75.081 -45.131 1.00 17.25 C ATOM 1181 O ASP A 77 108.678 74.679 -45.505 1.00 20.75 O ATOM 1182 CB ASP A 77 106.943 76.389 -47.156 1.00 23.19 C ATOM 1183 CG ASP A 77 106.160 76.351 -48.453 1.00 29.14 C ATOM 1184 OD1 ASP A 77 105.270 77.220 -48.624 1.00 31.89 O ATOM 1185 OD2 ASP A 77 106.419 75.437 -49.282 1.00 30.25 O ATOM 1186 HA ASP A 77 106.402 74.302 -46.578 1.00 0.00 H ATOM 1187 HB2 ASP A 77 106.809 77.367 -46.694 1.00 0.00 H ATOM 1188 HB3 ASP A 77 107.999 76.236 -47.379 1.00 0.00 H ATOM 1189 H ASP A 77 104.426 74.734 -45.948 1.00 0.00 H ATOM 1190 N ARG A 78 107.330 75.344 -43.856 1.00 12.51 N ATOM 1191 CA ARG A 78 108.412 75.085 -42.904 1.00 10.62 C ATOM 1192 C ARG A 78 108.774 73.584 -42.973 1.00 10.33 C ATOM 1193 O ARG A 78 107.926 72.748 -43.275 1.00 9.65 O ATOM 1194 CB ARG A 78 107.997 75.434 -41.466 1.00 4.36 C ATOM 1195 CG ARG A 78 107.415 76.815 -41.281 1.00 4.57 C ATOM 1196 CD ARG A 78 106.081 76.733 -40.581 1.00 2.00 C ATOM 1197 NE ARG A 78 106.221 76.103 -39.273 1.00 3.75 N ATOM 1198 CZ ARG A 78 105.338 75.283 -38.697 1.00 5.45 C ATOM 1199 NH1 ARG A 78 104.191 74.949 -39.289 1.00 2.02 N ATOM 1200 NH2 ARG A 78 105.622 74.786 -37.496 1.00 7.90 N ATOM 1201 HA ARG A 78 109.265 75.710 -43.169 1.00 0.00 H ATOM 1202 HB2 ARG A 78 107.251 74.708 -41.145 1.00 0.00 H ATOM 1203 HB3 ARG A 78 108.879 75.352 -40.831 1.00 0.00 H ATOM 1204 HG2 ARG A 78 108.099 77.416 -40.682 1.00 0.00 H ATOM 1205 HG3 ARG A 78 107.281 77.283 -42.257 1.00 0.00 H ATOM 1206 HD2 ARG A 78 105.393 76.146 -41.189 1.00 0.00 H ATOM 1207 HD3 ARG A 78 105.682 77.739 -40.453 1.00 0.00 H ATOM 1208 HE ARG A 78 107.089 76.312 -38.739 1.00 0.00 H ATOM 1209 HH12 ARG A 78 103.527 74.308 -38.811 1.00 0.00 H ATOM 1210 HH11 ARG A 78 103.961 75.330 -40.229 1.00 0.00 H ATOM 1211 HH22 ARG A 78 104.951 74.145 -37.026 1.00 0.00 H ATOM 1212 HH21 ARG A 78 106.515 75.038 -37.027 1.00 0.00 H ATOM 1213 H ARG A 78 106.411 75.718 -43.545 1.00 0.00 H ATOM 1214 N ASN A 79 110.049 73.259 -42.822 1.00 11.95 N ATOM 1215 CA ASN A 79 110.454 71.861 -42.784 1.00 12.78 C ATOM 1216 C ASN A 79 110.722 71.628 -41.323 1.00 12.31 C ATOM 1217 O ASN A 79 111.559 72.302 -40.723 1.00 9.71 O ATOM 1218 CB ASN A 79 111.699 71.627 -43.593 1.00 15.20 C ATOM 1219 CG ASN A 79 111.459 71.870 -45.037 1.00 22.43 C ATOM 1220 OD1 ASN A 79 111.079 70.962 -45.771 1.00 23.67 O ATOM 1221 ND2 ASN A 79 111.594 73.127 -45.453 1.00 27.81 N ATOM 1222 HA ASN A 79 109.703 71.192 -43.204 1.00 0.00 H ATOM 1223 HB2 ASN A 79 112.481 72.302 -43.245 1.00 0.00 H ATOM 1224 HB3 ASN A 79 112.023 70.595 -43.456 1.00 0.00 H ATOM 1225 HD22 ASN A 79 111.920 73.861 -44.792 1.00 0.00 H ATOM 1226 HD21 ASN A 79 111.374 73.375 -46.439 1.00 0.00 H ATOM 1227 H ASN A 79 110.766 74.007 -42.730 1.00 0.00 H ATOM 1228 N CYS A 80 109.919 70.783 -40.706 1.00 11.70 N ATOM 1229 CA CYS A 80 110.114 70.547 -39.300 1.00 11.86 C ATOM 1230 C CYS A 80 110.586 69.129 -39.065 1.00 11.12 C ATOM 1231 O CYS A 80 110.728 68.333 -39.997 1.00 11.93 O ATOM 1232 CB CYS A 80 108.817 70.823 -38.534 1.00 13.62 C ATOM 1233 SG CYS A 80 108.001 72.426 -38.917 1.00 21.55 S ATOM 1234 HA CYS A 80 110.882 71.227 -38.931 1.00 0.00 H ATOM 1235 HB2 CYS A 80 109.046 70.808 -37.468 1.00 0.00 H ATOM 1236 HB3 CYS A 80 108.113 70.023 -38.765 1.00 0.00 H ATOM 1237 HG CYS A 80 106.851 72.547 -38.163 1.00 0.00 H ATOM 1238 H CYS A 80 109.160 70.297 -41.225 1.00 0.00 H ATOM 1239 N LYS A 81 110.944 68.879 -37.820 1.00 11.31 N ATOM 1240 CA LYS A 81 111.368 67.583 -37.345 1.00 12.41 C ATOM 1241 C LYS A 81 110.212 67.389 -36.377 1.00 14.73 C ATOM 1242 O LYS A 81 110.084 68.092 -35.358 1.00 14.01 O ATOM 1243 CB LYS A 81 112.683 67.675 -36.566 1.00 12.24 C ATOM 1244 CG LYS A 81 113.813 68.324 -37.322 1.00 17.43 C ATOM 1245 CD LYS A 81 114.173 67.525 -38.558 1.00 24.07 C ATOM 1246 CE LYS A 81 114.782 66.195 -38.185 1.00 27.04 C ATOM 1247 NZ LYS A 81 114.681 65.248 -39.327 1.00 27.42 N ATOM 1248 HA LYS A 81 111.548 66.817 -38.099 1.00 0.00 H ATOM 1249 HB2 LYS A 81 112.503 68.254 -35.660 1.00 0.00 H ATOM 1250 HB3 LYS A 81 112.990 66.665 -36.295 1.00 0.00 H ATOM 1251 HG2 LYS A 81 113.511 69.327 -37.622 1.00 0.00 H ATOM 1252 HG3 LYS A 81 114.686 68.388 -36.672 1.00 0.00 H ATOM 1253 HD2 LYS A 81 113.272 67.352 -39.146 1.00 0.00 H ATOM 1254 HD3 LYS A 81 114.890 68.091 -39.152 1.00 0.00 H ATOM 1255 HE2 LYS A 81 114.251 65.783 -37.327 1.00 0.00 H ATOM 1256 HE3 LYS A 81 115.831 66.338 -37.927 1.00 0.00 H ATOM 1257 HZ1 LYS A 81 113.680 65.109 -39.573 1.00 0.00 H ATOM 1258 HZ2 LYS A 81 115.189 65.639 -40.146 1.00 0.00 H ATOM 1259 HZ3 LYS A 81 115.103 64.336 -39.058 1.00 0.00 H ATOM 1260 H LYS A 81 110.919 69.664 -37.138 1.00 0.00 H ATOM 1261 N SER A 82 109.277 66.556 -36.788 1.00 13.67 N ATOM 1262 CA SER A 82 108.129 66.320 -35.972 1.00 11.24 C ATOM 1263 C SER A 82 108.146 64.973 -35.284 1.00 11.42 C ATOM 1264 O SER A 82 108.836 64.034 -35.682 1.00 10.53 O ATOM 1265 CB SER A 82 106.859 66.506 -36.806 1.00 13.31 C ATOM 1266 OG SER A 82 106.642 67.879 -37.112 1.00 8.20 O ATOM 1267 HA SER A 82 108.147 67.055 -35.167 1.00 0.00 H ATOM 1268 HB2 SER A 82 106.005 66.127 -36.244 1.00 0.00 H ATOM 1269 HB3 SER A 82 106.958 65.945 -37.736 1.00 0.00 H ATOM 1270 HG SER A 82 105.816 67.969 -37.651 1.00 0.00 H ATOM 1271 H SER A 82 109.375 66.072 -37.703 1.00 0.00 H ATOM 1272 N VAL A 83 107.372 64.916 -34.217 1.00 14.07 N ATOM 1273 CA VAL A 83 107.200 63.735 -33.398 1.00 12.04 C ATOM 1274 C VAL A 83 105.765 63.862 -32.939 1.00 11.20 C ATOM 1275 O VAL A 83 105.326 64.964 -32.607 1.00 10.00 O ATOM 1276 CB VAL A 83 108.064 63.820 -32.131 1.00 9.94 C ATOM 1277 CG1 VAL A 83 107.636 62.773 -31.138 1.00 10.27 C ATOM 1278 CG2 VAL A 83 109.530 63.684 -32.477 1.00 7.71 C ATOM 1279 HA VAL A 83 107.456 62.822 -33.936 1.00 0.00 H ATOM 1280 HB VAL A 83 107.922 64.799 -31.673 1.00 0.00 H ATOM 1281 HG11 VAL A 83 106.592 62.934 -30.870 1.00 0.00 H ATOM 1282 HG12 VAL A 83 107.750 61.784 -31.582 1.00 0.00 H ATOM 1283 HG13 VAL A 83 108.257 62.845 -30.245 1.00 0.00 H ATOM 1284 HG21 VAL A 83 109.701 62.721 -32.958 1.00 0.00 H ATOM 1285 HG22 VAL A 83 109.818 64.487 -33.156 1.00 0.00 H ATOM 1286 HG23 VAL A 83 110.124 63.747 -31.566 1.00 0.00 H ATOM 1287 H VAL A 83 106.852 65.775 -33.947 1.00 0.00 H ATOM 1288 N VAL A 84 104.993 62.793 -33.045 1.00 9.05 N ATOM 1289 CA VAL A 84 103.638 62.859 -32.525 1.00 7.39 C ATOM 1290 C VAL A 84 103.474 61.638 -31.640 1.00 8.25 C ATOM 1291 O VAL A 84 103.915 60.546 -31.998 1.00 7.78 O ATOM 1292 CB VAL A 84 102.515 62.973 -33.608 1.00 2.16 C ATOM 1293 CG1 VAL A 84 103.055 62.818 -35.008 1.00 2.00 C ATOM 1294 CG2 VAL A 84 101.413 61.986 -33.330 1.00 2.00 C ATOM 1295 HA VAL A 84 103.511 63.787 -31.968 1.00 0.00 H ATOM 1296 HB VAL A 84 102.099 63.979 -33.546 1.00 0.00 H ATOM 1297 HG11 VAL A 84 103.792 63.598 -35.200 1.00 0.00 H ATOM 1298 HG12 VAL A 84 103.525 61.840 -35.109 1.00 0.00 H ATOM 1299 HG13 VAL A 84 102.237 62.905 -35.723 1.00 0.00 H ATOM 1300 HG21 VAL A 84 101.820 60.975 -33.346 1.00 0.00 H ATOM 1301 HG22 VAL A 84 100.983 62.190 -32.350 1.00 0.00 H ATOM 1302 HG23 VAL A 84 100.641 62.080 -34.094 1.00 0.00 H ATOM 1303 H VAL A 84 105.349 61.924 -33.491 1.00 0.00 H ATOM 1304 N SER A 85 102.953 61.836 -30.438 1.00 8.04 N ATOM 1305 CA SER A 85 102.761 60.700 -29.556 1.00 12.11 C ATOM 1306 C SER A 85 101.413 60.774 -28.876 1.00 9.33 C ATOM 1307 O SER A 85 100.605 61.642 -29.183 1.00 9.36 O ATOM 1308 CB SER A 85 103.888 60.621 -28.509 1.00 18.67 C ATOM 1309 OG SER A 85 103.792 61.634 -27.519 1.00 20.69 O ATOM 1310 HA SER A 85 102.793 59.794 -30.161 1.00 0.00 H ATOM 1311 HB2 SER A 85 104.846 60.722 -29.020 1.00 0.00 H ATOM 1312 HB3 SER A 85 103.840 59.649 -28.018 1.00 0.00 H ATOM 1313 HG SER A 85 104.538 61.536 -26.875 1.00 0.00 H ATOM 1314 H SER A 85 102.685 62.793 -30.131 1.00 0.00 H ATOM 1315 N LEU A 86 101.170 59.842 -27.969 1.00 9.06 N ATOM 1316 CA LEU A 86 99.937 59.809 -27.217 1.00 12.85 C ATOM 1317 C LEU A 86 100.368 59.984 -25.776 1.00 16.86 C ATOM 1318 O LEU A 86 100.996 59.089 -25.207 1.00 14.98 O ATOM 1319 CB LEU A 86 99.256 58.461 -27.398 1.00 14.76 C ATOM 1320 CG LEU A 86 97.939 58.254 -26.658 1.00 15.62 C ATOM 1321 CD1 LEU A 86 96.805 58.906 -27.434 1.00 10.29 C ATOM 1322 CD2 LEU A 86 97.697 56.758 -26.482 1.00 12.70 C ATOM 1323 HA LEU A 86 99.230 60.575 -27.537 1.00 0.00 H ATOM 1324 HB2 LEU A 86 99.061 58.329 -28.462 1.00 0.00 H ATOM 1325 HB3 LEU A 86 99.950 57.692 -27.059 1.00 0.00 H ATOM 1326 HG LEU A 86 97.984 58.719 -25.673 1.00 0.00 H ATOM 1327 HD21 LEU A 86 97.648 56.282 -27.461 1.00 0.00 H ATOM 1328 HD22 LEU A 86 98.515 56.324 -25.906 1.00 0.00 H ATOM 1329 HD23 LEU A 86 96.756 56.603 -25.953 1.00 0.00 H ATOM 1330 HD11 LEU A 86 97.000 59.974 -27.532 1.00 0.00 H ATOM 1331 HD12 LEU A 86 96.738 58.455 -28.424 1.00 0.00 H ATOM 1332 HD13 LEU A 86 95.867 58.755 -26.900 1.00 0.00 H ATOM 1333 H LEU A 86 101.888 59.111 -27.792 1.00 0.00 H ATOM 1334 N ASP A 87 100.114 61.173 -25.222 1.00 23.27 N ATOM 1335 CA ASP A 87 100.463 61.496 -23.826 1.00 26.52 C ATOM 1336 C ASP A 87 99.311 60.996 -22.983 1.00 24.62 C ATOM 1337 O ASP A 87 99.102 61.512 -21.885 1.00 28.36 O ATOM 1338 CB ASP A 87 100.532 63.025 -23.591 1.00 32.95 C ATOM 1339 CG ASP A 87 101.904 63.654 -23.912 1.00 36.37 C ATOM 1340 OD1 ASP A 87 102.164 64.776 -23.400 1.00 33.80 O ATOM 1341 OD2 ASP A 87 102.703 63.066 -24.679 1.00 38.46 O ATOM 1342 HA ASP A 87 101.429 61.052 -23.585 1.00 0.00 H ATOM 1343 HB2 ASP A 87 99.781 63.502 -24.221 1.00 0.00 H ATOM 1344 HB3 ASP A 87 100.303 63.221 -22.543 1.00 0.00 H ATOM 1345 H ASP A 87 99.650 61.902 -25.800 1.00 0.00 H ATOM 1346 N GLY A 88 98.588 59.996 -23.498 1.00 22.23 N ATOM 1347 CA GLY A 88 97.406 59.448 -22.845 1.00 18.52 C ATOM 1348 C GLY A 88 96.311 60.322 -23.414 1.00 19.35 C ATOM 1349 O GLY A 88 96.592 61.493 -23.682 1.00 21.54 O ATOM 1350 HA3 GLY A 88 97.469 59.544 -21.761 1.00 0.00 H ATOM 1351 HA2 GLY A 88 97.256 58.401 -23.107 1.00 0.00 H ATOM 1352 H GLY A 88 98.883 59.590 -24.409 1.00 0.00 H ATOM 1353 N ASP A 89 95.143 59.759 -23.725 1.00 16.66 N ATOM 1354 CA ASP A 89 93.991 60.518 -24.267 1.00 15.79 C ATOM 1355 C ASP A 89 94.224 61.556 -25.381 1.00 13.19 C ATOM 1356 O ASP A 89 93.506 61.593 -26.381 1.00 11.72 O ATOM 1357 CB ASP A 89 93.230 61.198 -23.138 1.00 19.59 C ATOM 1358 CG ASP A 89 91.740 61.169 -23.368 1.00 26.54 C ATOM 1359 OD1 ASP A 89 91.017 60.632 -22.497 1.00 29.46 O ATOM 1360 OD2 ASP A 89 91.294 61.642 -24.442 1.00 31.12 O ATOM 1361 HA ASP A 89 93.433 59.726 -24.767 1.00 0.00 H ATOM 1362 HB2 ASP A 89 93.453 60.684 -22.203 1.00 0.00 H ATOM 1363 HB3 ASP A 89 93.556 62.236 -23.068 1.00 0.00 H ATOM 1364 H ASP A 89 95.035 58.735 -23.580 1.00 0.00 H ATOM 1365 N LYS A 90 95.078 62.523 -25.096 1.00 11.34 N ATOM 1366 CA LYS A 90 95.453 63.553 -26.046 1.00 7.33 C ATOM 1367 C LYS A 90 96.398 62.974 -27.105 1.00 4.96 C ATOM 1368 O LYS A 90 97.160 62.050 -26.839 1.00 7.00 O ATOM 1369 CB LYS A 90 96.197 64.661 -25.285 1.00 3.64 C ATOM 1370 CG LYS A 90 95.325 65.754 -24.749 1.00 8.25 C ATOM 1371 CD LYS A 90 95.539 66.050 -23.262 1.00 11.04 C ATOM 1372 CE LYS A 90 94.768 65.063 -22.374 1.00 18.14 C ATOM 1373 NZ LYS A 90 93.306 64.976 -22.673 1.00 18.39 N ATOM 1374 HA LYS A 90 94.559 63.942 -26.534 1.00 0.00 H ATOM 1375 HB2 LYS A 90 96.720 64.203 -24.446 1.00 0.00 H ATOM 1376 HB3 LYS A 90 96.923 65.109 -25.963 1.00 0.00 H ATOM 1377 HG2 LYS A 90 95.530 66.664 -25.313 1.00 0.00 H ATOM 1378 HG3 LYS A 90 94.284 65.465 -24.895 1.00 0.00 H ATOM 1379 HD2 LYS A 90 96.602 65.974 -23.035 1.00 0.00 H ATOM 1380 HD3 LYS A 90 95.194 67.062 -23.049 1.00 0.00 H ATOM 1381 HE2 LYS A 90 94.886 65.374 -21.336 1.00 0.00 H ATOM 1382 HE3 LYS A 90 95.203 64.073 -22.507 1.00 0.00 H ATOM 1383 HZ1 LYS A 90 92.870 65.910 -22.539 1.00 0.00 H ATOM 1384 HZ2 LYS A 90 93.172 64.668 -23.657 1.00 0.00 H ATOM 1385 HZ3 LYS A 90 92.862 64.289 -22.030 1.00 0.00 H ATOM 1386 H LYS A 90 95.501 62.547 -24.146 1.00 0.00 H ATOM 1387 N LEU A 91 96.359 63.527 -28.302 1.00 4.20 N ATOM 1388 CA LEU A 91 97.279 63.123 -29.345 1.00 2.00 C ATOM 1389 C LEU A 91 98.128 64.388 -29.490 1.00 2.00 C ATOM 1390 O LEU A 91 97.606 65.422 -29.886 1.00 2.00 O ATOM 1391 CB LEU A 91 96.515 62.842 -30.629 1.00 2.00 C ATOM 1392 CG LEU A 91 97.076 61.771 -31.563 1.00 2.00 C ATOM 1393 CD1 LEU A 91 96.102 61.485 -32.670 1.00 2.02 C ATOM 1394 CD2 LEU A 91 98.375 62.234 -32.147 1.00 4.54 C ATOM 1395 HA LEU A 91 97.851 62.220 -29.130 1.00 0.00 H ATOM 1396 HB2 LEU A 91 95.507 62.536 -30.349 1.00 0.00 H ATOM 1397 HB3 LEU A 91 96.468 63.774 -31.192 1.00 0.00 H ATOM 1398 HG LEU A 91 97.241 60.859 -30.989 1.00 0.00 H ATOM 1399 HD21 LEU A 91 98.212 63.153 -32.710 1.00 0.00 H ATOM 1400 HD22 LEU A 91 99.087 62.420 -31.343 1.00 0.00 H ATOM 1401 HD23 LEU A 91 98.768 61.465 -32.812 1.00 0.00 H ATOM 1402 HD11 LEU A 91 95.163 61.131 -32.244 1.00 0.00 H ATOM 1403 HD12 LEU A 91 95.923 62.397 -33.239 1.00 0.00 H ATOM 1404 HD13 LEU A 91 96.515 60.720 -33.327 1.00 0.00 H ATOM 1405 H LEU A 91 95.655 64.266 -28.500 1.00 0.00 H ATOM 1406 N VAL A 92 99.387 64.349 -29.041 1.00 3.49 N ATOM 1407 CA VAL A 92 100.288 65.512 -29.145 1.00 4.16 C ATOM 1408 C VAL A 92 101.132 65.392 -30.387 1.00 7.20 C ATOM 1409 O VAL A 92 101.621 64.304 -30.728 1.00 9.75 O ATOM 1410 CB VAL A 92 101.236 65.681 -27.960 1.00 2.00 C ATOM 1411 CG1 VAL A 92 100.557 66.432 -26.837 1.00 2.00 C ATOM 1412 CG2 VAL A 92 101.691 64.323 -27.485 1.00 11.19 C ATOM 1413 HA VAL A 92 99.633 66.383 -29.170 1.00 0.00 H ATOM 1414 HB VAL A 92 102.103 66.261 -28.277 1.00 0.00 H ATOM 1415 HG11 VAL A 92 100.255 67.418 -27.191 1.00 0.00 H ATOM 1416 HG12 VAL A 92 99.678 65.877 -26.510 1.00 0.00 H ATOM 1417 HG13 VAL A 92 101.250 66.541 -26.003 1.00 0.00 H ATOM 1418 HG21 VAL A 92 100.824 63.738 -27.178 1.00 0.00 H ATOM 1419 HG22 VAL A 92 102.209 63.810 -28.296 1.00 0.00 H ATOM 1420 HG23 VAL A 92 102.368 64.443 -26.639 1.00 0.00 H ATOM 1421 H VAL A 92 99.741 63.473 -28.606 1.00 0.00 H ATOM 1422 N HIS A 93 101.321 66.530 -31.043 1.00 7.58 N ATOM 1423 CA HIS A 93 102.060 66.611 -32.290 1.00 4.58 C ATOM 1424 C HIS A 93 102.987 67.793 -32.118 1.00 3.85 C ATOM 1425 O HIS A 93 102.512 68.923 -32.084 1.00 2.04 O ATOM 1426 CB HIS A 93 101.034 66.859 -33.403 1.00 4.89 C ATOM 1427 CG HIS A 93 101.610 67.023 -34.774 1.00 3.85 C ATOM 1428 ND1 HIS A 93 102.910 67.418 -35.007 1.00 7.42 N ATOM 1429 CD2 HIS A 93 101.049 66.836 -35.994 1.00 2.01 C ATOM 1430 CE1 HIS A 93 103.127 67.459 -36.311 1.00 8.58 C ATOM 1431 NE2 HIS A 93 102.015 67.107 -36.931 1.00 2.00 N ATOM 1432 HA HIS A 93 102.630 65.716 -32.539 1.00 0.00 H ATOM 1433 HB2 HIS A 93 100.347 66.013 -33.424 1.00 0.00 H ATOM 1434 HB3 HIS A 93 100.482 67.767 -33.158 1.00 0.00 H ATOM 1435 HD2 HIS A 93 100.023 66.528 -36.194 1.00 0.00 H ATOM 1436 HE1 HIS A 93 104.065 67.736 -36.793 1.00 0.00 H ATOM 1437 H HIS A 93 100.921 67.404 -30.646 1.00 0.00 H ATOM 1438 N ILE A 94 104.283 67.509 -31.923 1.00 7.22 N ATOM 1439 CA ILE A 94 105.352 68.513 -31.750 1.00 4.10 C ATOM 1440 C ILE A 94 106.057 68.757 -33.082 1.00 5.08 C ATOM 1441 O ILE A 94 106.372 67.809 -33.784 1.00 5.12 O ATOM 1442 CB ILE A 94 106.470 68.032 -30.768 1.00 4.04 C ATOM 1443 CG1 ILE A 94 105.885 67.589 -29.410 1.00 6.46 C ATOM 1444 CG2 ILE A 94 107.487 69.158 -30.537 1.00 3.40 C ATOM 1445 CD1 ILE A 94 105.197 68.689 -28.587 1.00 3.41 C ATOM 1446 HA ILE A 94 104.864 69.406 -31.360 1.00 0.00 H ATOM 1447 HB ILE A 94 106.961 67.173 -31.226 1.00 0.00 H ATOM 1448 HG12 ILE A 94 105.151 66.806 -29.601 1.00 0.00 H ATOM 1449 HG13 ILE A 94 106.700 67.183 -28.811 1.00 0.00 H ATOM 1450 HD11 ILE A 94 105.915 69.479 -28.367 1.00 0.00 H ATOM 1451 HD12 ILE A 94 104.365 69.101 -29.158 1.00 0.00 H ATOM 1452 HD13 ILE A 94 104.825 68.264 -27.655 1.00 0.00 H ATOM 1453 HG21 ILE A 94 107.940 69.437 -31.488 1.00 0.00 H ATOM 1454 HG22 ILE A 94 106.979 70.022 -30.108 1.00 0.00 H ATOM 1455 HG23 ILE A 94 108.261 68.812 -29.852 1.00 0.00 H ATOM 1456 H ILE A 94 104.556 66.506 -31.891 1.00 0.00 H ATOM 1457 N GLN A 95 106.285 70.025 -33.426 1.00 7.59 N ATOM 1458 CA GLN A 95 106.993 70.411 -34.659 1.00 9.93 C ATOM 1459 C GLN A 95 108.180 71.319 -34.331 1.00 8.15 C ATOM 1460 O GLN A 95 107.991 72.421 -33.803 1.00 6.44 O ATOM 1461 CB GLN A 95 106.086 71.214 -35.606 1.00 13.05 C ATOM 1462 CG GLN A 95 105.038 70.459 -36.388 1.00 10.62 C ATOM 1463 CD GLN A 95 104.322 71.365 -37.353 1.00 7.28 C ATOM 1464 OE1 GLN A 95 103.723 70.906 -38.325 1.00 9.04 O ATOM 1465 NE2 GLN A 95 104.372 72.663 -37.096 1.00 2.00 N ATOM 1466 HA GLN A 95 107.313 69.483 -35.132 1.00 0.00 H ATOM 1467 HB2 GLN A 95 105.568 71.961 -35.004 1.00 0.00 H ATOM 1468 HB3 GLN A 95 106.732 71.715 -36.327 1.00 0.00 H ATOM 1469 HG2 GLN A 95 105.520 69.655 -36.945 1.00 0.00 H ATOM 1470 HG3 GLN A 95 104.313 70.034 -35.694 1.00 0.00 H ATOM 1471 HE22 GLN A 95 104.890 73.009 -36.263 1.00 0.00 H ATOM 1472 HE21 GLN A 95 103.893 73.337 -37.727 1.00 0.00 H ATOM 1473 H GLN A 95 105.947 70.778 -32.793 1.00 0.00 H ATOM 1474 N LYS A 96 109.389 70.901 -34.691 1.00 9.87 N ATOM 1475 CA LYS A 96 110.571 71.728 -34.420 1.00 8.85 C ATOM 1476 C LYS A 96 111.270 72.169 -35.693 1.00 8.06 C ATOM 1477 O LYS A 96 111.506 71.351 -36.566 1.00 9.18 O ATOM 1478 CB LYS A 96 111.518 70.993 -33.485 1.00 6.26 C ATOM 1479 CG LYS A 96 110.911 70.840 -32.097 1.00 11.01 C ATOM 1480 CD LYS A 96 111.710 69.954 -31.150 1.00 17.07 C ATOM 1481 CE LYS A 96 111.740 68.487 -31.610 1.00 23.59 C ATOM 1482 NZ LYS A 96 110.381 67.872 -31.780 1.00 28.34 N ATOM 1483 HA LYS A 96 110.235 72.641 -33.927 1.00 0.00 H ATOM 1484 HB2 LYS A 96 111.726 70.004 -33.894 1.00 0.00 H ATOM 1485 HB3 LYS A 96 112.449 71.555 -33.407 1.00 0.00 H ATOM 1486 HG2 LYS A 96 110.831 71.831 -31.650 1.00 0.00 H ATOM 1487 HG3 LYS A 96 109.915 70.410 -32.206 1.00 0.00 H ATOM 1488 HD2 LYS A 96 112.733 70.327 -31.100 1.00 0.00 H ATOM 1489 HD3 LYS A 96 111.258 70.002 -30.159 1.00 0.00 H ATOM 1490 HE2 LYS A 96 112.289 67.906 -30.869 1.00 0.00 H ATOM 1491 HE3 LYS A 96 112.261 68.438 -32.566 1.00 0.00 H ATOM 1492 HZ1 LYS A 96 109.873 67.899 -30.873 1.00 0.00 H ATOM 1493 HZ2 LYS A 96 109.846 68.407 -32.494 1.00 0.00 H ATOM 1494 HZ3 LYS A 96 110.485 66.885 -32.091 1.00 0.00 H ATOM 1495 H LYS A 96 109.498 69.983 -35.167 1.00 0.00 H ATOM 1496 N TRP A 97 111.491 73.476 -35.847 1.00 10.12 N ATOM 1497 CA TRP A 97 112.168 74.024 -37.032 1.00 15.35 C ATOM 1498 C TRP A 97 113.050 75.249 -36.677 1.00 19.87 C ATOM 1499 O TRP A 97 112.568 76.258 -36.143 1.00 20.83 O ATOM 1500 CB TRP A 97 111.166 74.322 -38.165 1.00 15.30 C ATOM 1501 CG TRP A 97 110.272 75.525 -37.974 1.00 13.39 C ATOM 1502 CD1 TRP A 97 110.198 76.605 -38.791 1.00 13.56 C ATOM 1503 CD2 TRP A 97 109.347 75.770 -36.900 1.00 14.06 C ATOM 1504 NE1 TRP A 97 109.296 77.518 -38.302 1.00 15.84 N ATOM 1505 CE2 TRP A 97 108.758 77.034 -37.137 1.00 16.21 C ATOM 1506 CE3 TRP A 97 108.962 75.048 -35.762 1.00 9.68 C ATOM 1507 CZ2 TRP A 97 107.799 77.602 -36.275 1.00 13.40 C ATOM 1508 CZ3 TRP A 97 108.007 75.608 -34.910 1.00 16.02 C ATOM 1509 CH2 TRP A 97 107.437 76.878 -35.174 1.00 13.53 C ATOM 1510 HA TRP A 97 112.847 73.258 -37.408 1.00 0.00 H ATOM 1511 HB2 TRP A 97 111.737 74.475 -39.081 1.00 0.00 H ATOM 1512 HB3 TRP A 97 110.525 73.448 -38.280 1.00 0.00 H ATOM 1513 HE1 TRP A 97 109.059 78.429 -38.744 1.00 0.00 H ATOM 1514 HD1 TRP A 97 110.774 76.731 -39.708 1.00 0.00 H ATOM 1515 HZ2 TRP A 97 107.363 78.580 -36.478 1.00 0.00 H ATOM 1516 HH2 TRP A 97 106.696 77.285 -34.486 1.00 0.00 H ATOM 1517 HZ3 TRP A 97 107.694 75.056 -34.024 1.00 0.00 H ATOM 1518 HE3 TRP A 97 109.398 74.072 -35.547 1.00 0.00 H ATOM 1519 H TRP A 97 111.173 74.130 -35.103 1.00 0.00 H ATOM 1520 N ASP A 98 114.337 75.149 -37.017 1.00 20.80 N ATOM 1521 CA ASP A 98 115.346 76.160 -36.693 1.00 22.63 C ATOM 1522 C ASP A 98 115.115 76.949 -35.386 1.00 19.73 C ATOM 1523 O ASP A 98 114.693 78.100 -35.385 1.00 18.02 O ATOM 1524 CB ASP A 98 115.788 77.023 -37.914 1.00 26.93 C ATOM 1525 CG ASP A 98 114.774 78.096 -38.324 1.00 34.65 C ATOM 1526 OD1 ASP A 98 114.146 77.958 -39.413 1.00 34.79 O ATOM 1527 OD2 ASP A 98 114.659 79.117 -37.600 1.00 35.04 O ATOM 1528 HA ASP A 98 116.226 75.567 -36.443 1.00 0.00 H ATOM 1529 HB2 ASP A 98 116.726 77.517 -37.662 1.00 0.00 H ATOM 1530 HB3 ASP A 98 115.946 76.359 -38.764 1.00 0.00 H ATOM 1531 H ASP A 98 114.641 74.304 -37.542 1.00 0.00 H ATOM 1532 N GLY A 99 115.319 76.254 -34.268 1.00 18.45 N ATOM 1533 CA GLY A 99 115.181 76.865 -32.962 1.00 17.46 C ATOM 1534 C GLY A 99 113.776 77.114 -32.455 1.00 21.21 C ATOM 1535 O GLY A 99 113.534 77.037 -31.246 1.00 23.86 O ATOM 1536 HA3 GLY A 99 115.692 77.827 -32.995 1.00 0.00 H ATOM 1537 HA2 GLY A 99 115.678 76.215 -32.242 1.00 0.00 H ATOM 1538 H GLY A 99 115.583 75.250 -34.334 1.00 0.00 H ATOM 1539 N LYS A 100 112.842 77.442 -33.338 1.00 20.59 N ATOM 1540 CA LYS A 100 111.476 77.692 -32.884 1.00 17.24 C ATOM 1541 C LYS A 100 110.790 76.347 -32.677 1.00 13.65 C ATOM 1542 O LYS A 100 111.189 75.359 -33.289 1.00 13.18 O ATOM 1543 CB LYS A 100 110.711 78.534 -33.915 1.00 19.69 C ATOM 1544 CG LYS A 100 111.453 79.767 -34.474 1.00 20.82 C ATOM 1545 CD LYS A 100 111.798 80.820 -33.403 1.00 28.29 C ATOM 1546 CE LYS A 100 113.197 80.610 -32.731 1.00 29.57 C ATOM 1547 NZ LYS A 100 113.529 81.664 -31.700 1.00 21.74 N ATOM 1548 HA LYS A 100 111.491 78.251 -31.948 1.00 0.00 H ATOM 1549 HB2 LYS A 100 110.462 77.886 -34.755 1.00 0.00 H ATOM 1550 HB3 LYS A 100 109.793 78.884 -33.443 1.00 0.00 H ATOM 1551 HG2 LYS A 100 112.380 79.430 -34.937 1.00 0.00 H ATOM 1552 HG3 LYS A 100 110.821 80.237 -35.228 1.00 0.00 H ATOM 1553 HD2 LYS A 100 111.787 81.803 -33.873 1.00 0.00 H ATOM 1554 HD3 LYS A 100 111.035 80.782 -32.626 1.00 0.00 H ATOM 1555 HE2 LYS A 100 113.961 80.633 -33.508 1.00 0.00 H ATOM 1556 HE3 LYS A 100 113.204 79.635 -32.244 1.00 0.00 H ATOM 1557 HZ1 LYS A 100 113.536 82.600 -32.153 1.00 0.00 H ATOM 1558 HZ2 LYS A 100 112.813 81.647 -30.946 1.00 0.00 H ATOM 1559 HZ3 LYS A 100 114.466 81.467 -31.294 1.00 0.00 H ATOM 1560 H LYS A 100 113.081 77.521 -34.347 1.00 0.00 H ATOM 1561 N GLU A 101 109.787 76.302 -31.802 1.00 12.57 N ATOM 1562 CA GLU A 101 109.037 75.074 -31.535 1.00 12.79 C ATOM 1563 C GLU A 101 107.534 75.349 -31.439 1.00 13.64 C ATOM 1564 O GLU A 101 107.138 76.443 -31.024 1.00 16.62 O ATOM 1565 CB GLU A 101 109.503 74.443 -30.222 1.00 16.98 C ATOM 1566 CG GLU A 101 108.729 73.167 -29.837 1.00 24.19 C ATOM 1567 CD GLU A 101 109.292 72.465 -28.603 1.00 28.37 C ATOM 1568 OE1 GLU A 101 110.279 71.696 -28.745 1.00 31.32 O ATOM 1569 OE2 GLU A 101 108.734 72.673 -27.498 1.00 27.45 O ATOM 1570 HA GLU A 101 109.222 74.393 -32.365 1.00 0.00 H ATOM 1571 HB2 GLU A 101 110.559 74.189 -30.318 1.00 0.00 H ATOM 1572 HB3 GLU A 101 109.377 75.175 -29.425 1.00 0.00 H ATOM 1573 HG2 GLU A 101 107.692 73.438 -29.638 1.00 0.00 H ATOM 1574 HG3 GLU A 101 108.767 72.473 -30.677 1.00 0.00 H ATOM 1575 H GLU A 101 109.528 77.170 -31.291 1.00 0.00 H ATOM 1576 N THR A 102 106.702 74.379 -31.834 1.00 11.04 N ATOM 1577 CA THR A 102 105.242 74.520 -31.727 1.00 9.87 C ATOM 1578 C THR A 102 104.548 73.177 -31.526 1.00 12.20 C ATOM 1579 O THR A 102 105.066 72.137 -31.962 1.00 15.80 O ATOM 1580 CB THR A 102 104.622 75.245 -32.943 1.00 8.70 C ATOM 1581 OG1 THR A 102 103.224 75.427 -32.716 1.00 3.53 O ATOM 1582 CG2 THR A 102 104.801 74.454 -34.204 1.00 7.15 C ATOM 1583 HA THR A 102 105.076 75.136 -30.843 1.00 0.00 H ATOM 1584 HB THR A 102 105.128 76.204 -33.058 1.00 0.00 H ATOM 1585 HG1 THR A 102 102.822 75.891 -33.493 1.00 0.00 H ATOM 1586 HG23 THR A 102 105.865 74.307 -34.391 1.00 0.00 H ATOM 1587 HG21 THR A 102 104.312 73.486 -34.097 1.00 0.00 H ATOM 1588 HG22 THR A 102 104.356 74.997 -35.038 1.00 0.00 H ATOM 1589 H THR A 102 107.098 73.502 -32.227 1.00 0.00 H ATOM 1590 N ASN A 103 103.377 73.179 -30.887 1.00 10.43 N ATOM 1591 CA ASN A 103 102.661 71.920 -30.661 1.00 9.22 C ATOM 1592 C ASN A 103 101.150 71.953 -30.879 1.00 6.50 C ATOM 1593 O ASN A 103 100.502 72.993 -30.710 1.00 3.42 O ATOM 1594 CB ASN A 103 102.982 71.356 -29.274 1.00 15.20 C ATOM 1595 CG ASN A 103 102.405 72.191 -28.155 1.00 20.72 C ATOM 1596 OD1 ASN A 103 101.275 71.956 -27.699 1.00 24.54 O ATOM 1597 ND2 ASN A 103 103.177 73.175 -27.697 1.00 19.86 N ATOM 1598 HA ASN A 103 103.036 71.261 -31.444 1.00 0.00 H ATOM 1599 HB2 ASN A 103 102.572 70.348 -29.204 1.00 0.00 H ATOM 1600 HB3 ASN A 103 104.065 71.316 -29.156 1.00 0.00 H ATOM 1601 HD22 ASN A 103 104.118 73.334 -28.111 1.00 0.00 H ATOM 1602 HD21 ASN A 103 102.839 73.785 -26.925 1.00 0.00 H ATOM 1603 H ASN A 103 102.972 74.075 -30.549 1.00 0.00 H ATOM 1604 N PHE A 104 100.613 70.799 -31.281 1.00 6.71 N ATOM 1605 CA PHE A 104 99.180 70.603 -31.564 1.00 8.10 C ATOM 1606 C PHE A 104 98.586 69.464 -30.714 1.00 10.05 C ATOM 1607 O PHE A 104 98.851 68.267 -30.953 1.00 11.29 O ATOM 1608 CB PHE A 104 98.960 70.236 -33.043 1.00 5.45 C ATOM 1609 CG PHE A 104 99.651 71.141 -34.014 1.00 8.36 C ATOM 1610 CD1 PHE A 104 99.570 72.527 -33.883 1.00 6.77 C ATOM 1611 CD2 PHE A 104 100.380 70.605 -35.070 1.00 8.76 C ATOM 1612 CE1 PHE A 104 100.204 73.359 -34.786 1.00 5.72 C ATOM 1613 CE2 PHE A 104 101.019 71.429 -35.980 1.00 9.14 C ATOM 1614 CZ PHE A 104 100.931 72.813 -35.839 1.00 7.98 C ATOM 1615 HA PHE A 104 98.686 71.544 -31.323 1.00 0.00 H ATOM 1616 HB2 PHE A 104 99.327 69.222 -33.201 1.00 0.00 H ATOM 1617 HB3 PHE A 104 97.890 70.270 -33.247 1.00 0.00 H ATOM 1618 HD2 PHE A 104 100.449 69.523 -35.182 1.00 0.00 H ATOM 1619 HE2 PHE A 104 101.589 70.998 -36.803 1.00 0.00 H ATOM 1620 HZ PHE A 104 101.431 73.467 -36.553 1.00 0.00 H ATOM 1621 HE1 PHE A 104 100.135 74.441 -34.673 1.00 0.00 H ATOM 1622 HD1 PHE A 104 99.001 72.959 -33.060 1.00 0.00 H ATOM 1623 H PHE A 104 101.248 69.984 -31.403 1.00 0.00 H ATOM 1624 N VAL A 105 97.728 69.811 -29.771 1.00 7.88 N ATOM 1625 CA VAL A 105 97.134 68.786 -28.934 1.00 8.00 C ATOM 1626 C VAL A 105 95.689 68.518 -29.351 1.00 7.26 C ATOM 1627 O VAL A 105 94.802 69.313 -29.023 1.00 11.20 O ATOM 1628 CB VAL A 105 97.164 69.221 -27.463 1.00 5.87 C ATOM 1629 CG1 VAL A 105 96.927 68.045 -26.538 1.00 2.00 C ATOM 1630 CG2 VAL A 105 98.475 69.897 -27.167 1.00 8.50 C ATOM 1631 HA VAL A 105 97.714 67.871 -29.056 1.00 0.00 H ATOM 1632 HB VAL A 105 96.356 69.931 -27.287 1.00 0.00 H ATOM 1633 HG11 VAL A 105 95.952 67.607 -26.752 1.00 0.00 H ATOM 1634 HG12 VAL A 105 97.705 67.298 -26.696 1.00 0.00 H ATOM 1635 HG13 VAL A 105 96.954 68.387 -25.503 1.00 0.00 H ATOM 1636 HG21 VAL A 105 99.292 69.201 -27.358 1.00 0.00 H ATOM 1637 HG22 VAL A 105 98.584 70.772 -27.808 1.00 0.00 H ATOM 1638 HG23 VAL A 105 98.495 70.206 -26.122 1.00 0.00 H ATOM 1639 H VAL A 105 97.480 70.811 -29.630 1.00 0.00 H ATOM 1640 N ARG A 106 95.458 67.434 -30.092 1.00 2.00 N ATOM 1641 CA ARG A 106 94.108 67.067 -30.522 1.00 2.01 C ATOM 1642 C ARG A 106 93.404 66.186 -29.459 1.00 2.00 C ATOM 1643 O ARG A 106 93.997 65.226 -28.966 1.00 2.00 O ATOM 1644 CB ARG A 106 94.156 66.359 -31.877 1.00 2.00 C ATOM 1645 CG ARG A 106 94.849 67.155 -32.962 1.00 2.11 C ATOM 1646 CD ARG A 106 94.617 66.598 -34.374 1.00 2.00 C ATOM 1647 NE ARG A 106 95.860 66.699 -35.132 1.00 3.10 N ATOM 1648 CZ ARG A 106 95.986 67.202 -36.354 1.00 4.62 C ATOM 1649 NH1 ARG A 106 94.923 67.672 -37.010 1.00 2.00 N ATOM 1650 NH2 ARG A 106 97.204 67.242 -36.913 1.00 2.72 N ATOM 1651 HA ARG A 106 93.523 67.980 -30.632 1.00 0.00 H ATOM 1652 HB2 ARG A 106 94.686 65.415 -31.752 1.00 0.00 H ATOM 1653 HB3 ARG A 106 93.133 66.161 -32.197 1.00 0.00 H ATOM 1654 HG2 ARG A 106 94.477 68.179 -32.930 1.00 0.00 H ATOM 1655 HG3 ARG A 106 95.920 67.152 -32.761 1.00 0.00 H ATOM 1656 HD2 ARG A 106 93.837 67.174 -34.871 1.00 0.00 H ATOM 1657 HD3 ARG A 106 94.311 65.554 -34.310 1.00 0.00 H ATOM 1658 HE ARG A 106 96.724 66.345 -34.674 1.00 0.00 H ATOM 1659 HH12 ARG A 106 95.034 68.064 -37.967 1.00 0.00 H ATOM 1660 HH11 ARG A 106 93.984 67.646 -36.564 1.00 0.00 H ATOM 1661 HH22 ARG A 106 97.325 67.632 -37.869 1.00 0.00 H ATOM 1662 HH21 ARG A 106 98.028 66.883 -36.390 1.00 0.00 H ATOM 1663 H ARG A 106 96.259 66.833 -30.372 1.00 0.00 H ATOM 1664 N GLU A 107 92.161 66.539 -29.102 1.00 2.00 N ATOM 1665 CA GLU A 107 91.343 65.836 -28.098 1.00 2.00 C ATOM 1666 C GLU A 107 89.976 65.549 -28.657 1.00 2.00 C ATOM 1667 O GLU A 107 89.581 66.094 -29.686 1.00 5.93 O ATOM 1668 CB GLU A 107 91.124 66.697 -26.851 1.00 5.64 C ATOM 1669 CG GLU A 107 92.361 66.896 -25.997 1.00 20.12 C ATOM 1670 CD GLU A 107 92.222 67.991 -24.930 1.00 22.45 C ATOM 1671 OE1 GLU A 107 91.826 67.654 -23.798 1.00 25.64 O ATOM 1672 OE2 GLU A 107 92.557 69.173 -25.209 1.00 24.41 O ATOM 1673 HA GLU A 107 91.878 64.922 -27.841 1.00 0.00 H ATOM 1674 HB2 GLU A 107 90.771 67.677 -27.172 1.00 0.00 H ATOM 1675 HB3 GLU A 107 90.360 66.219 -26.237 1.00 0.00 H ATOM 1676 HG2 GLU A 107 92.584 65.955 -25.494 1.00 0.00 H ATOM 1677 HG3 GLU A 107 93.190 67.161 -26.653 1.00 0.00 H ATOM 1678 H GLU A 107 91.743 67.370 -29.568 1.00 0.00 H ATOM 1679 N ILE A 108 89.217 64.751 -27.930 1.00 2.75 N ATOM 1680 CA ILE A 108 87.869 64.396 -28.329 1.00 7.05 C ATOM 1681 C ILE A 108 86.963 64.849 -27.179 1.00 10.41 C ATOM 1682 O ILE A 108 86.939 64.211 -26.124 1.00 13.26 O ATOM 1683 CB ILE A 108 87.757 62.864 -28.542 1.00 6.50 C ATOM 1684 CG1 ILE A 108 88.666 62.422 -29.692 1.00 2.87 C ATOM 1685 CG2 ILE A 108 86.323 62.463 -28.868 1.00 12.16 C ATOM 1686 CD1 ILE A 108 88.210 62.868 -31.062 1.00 2.00 C ATOM 1687 HA ILE A 108 87.587 64.870 -29.269 1.00 0.00 H ATOM 1688 HB ILE A 108 88.064 62.376 -27.617 1.00 0.00 H ATOM 1689 HG12 ILE A 108 89.661 62.830 -29.515 1.00 0.00 H ATOM 1690 HG13 ILE A 108 88.715 61.333 -29.688 1.00 0.00 H ATOM 1691 HD11 ILE A 108 87.221 62.458 -31.265 1.00 0.00 H ATOM 1692 HD12 ILE A 108 88.167 63.957 -31.093 1.00 0.00 H ATOM 1693 HD13 ILE A 108 88.914 62.509 -31.813 1.00 0.00 H ATOM 1694 HG21 ILE A 108 85.670 62.751 -28.044 1.00 0.00 H ATOM 1695 HG22 ILE A 108 86.004 62.968 -29.780 1.00 0.00 H ATOM 1696 HG23 ILE A 108 86.273 61.384 -29.013 1.00 0.00 H ATOM 1697 H ILE A 108 89.598 64.364 -27.043 1.00 0.00 H ATOM 1698 N LYS A 109 86.307 65.999 -27.342 1.00 9.66 N ATOM 1699 CA LYS A 109 85.417 66.535 -26.312 1.00 9.84 C ATOM 1700 C LYS A 109 83.957 66.408 -26.727 1.00 11.65 C ATOM 1701 O LYS A 109 83.482 67.088 -27.635 1.00 9.86 O ATOM 1702 CB LYS A 109 85.781 67.965 -25.966 1.00 8.16 C ATOM 1703 CG LYS A 109 86.941 68.049 -25.044 1.00 14.86 C ATOM 1704 CD LYS A 109 86.582 68.926 -23.859 1.00 26.72 C ATOM 1705 CE LYS A 109 87.399 68.556 -22.609 1.00 34.03 C ATOM 1706 NZ LYS A 109 86.828 69.192 -21.370 1.00 37.43 N ATOM 1707 HA LYS A 109 85.550 65.939 -25.409 1.00 0.00 H ATOM 1708 HB2 LYS A 109 86.026 68.496 -26.886 1.00 0.00 H ATOM 1709 HB3 LYS A 109 84.922 68.440 -25.492 1.00 0.00 H ATOM 1710 HG2 LYS A 109 87.199 67.050 -24.692 1.00 0.00 H ATOM 1711 HG3 LYS A 109 87.793 68.479 -25.570 1.00 0.00 H ATOM 1712 HD2 LYS A 109 86.781 69.966 -24.116 1.00 0.00 H ATOM 1713 HD3 LYS A 109 85.522 68.804 -23.637 1.00 0.00 H ATOM 1714 HE2 LYS A 109 88.425 68.898 -22.742 1.00 0.00 H ATOM 1715 HE3 LYS A 109 87.391 67.473 -22.488 1.00 0.00 H ATOM 1716 HZ1 LYS A 109 86.838 70.226 -21.477 1.00 0.00 H ATOM 1717 HZ2 LYS A 109 85.850 68.866 -21.234 1.00 0.00 H ATOM 1718 HZ3 LYS A 109 87.403 68.922 -20.547 1.00 0.00 H ATOM 1719 H LYS A 109 86.432 66.530 -28.227 1.00 0.00 H ATOM 1720 N ASP A 110 83.247 65.567 -25.983 1.00 16.50 N ATOM 1721 CA ASP A 110 81.868 65.200 -26.251 1.00 19.26 C ATOM 1722 C ASP A 110 81.716 64.863 -27.735 1.00 16.50 C ATOM 1723 O ASP A 110 80.969 65.495 -28.478 1.00 16.59 O ATOM 1724 CB ASP A 110 80.814 66.187 -25.681 1.00 30.09 C ATOM 1725 CG ASP A 110 80.685 67.488 -26.479 1.00 38.29 C ATOM 1726 OD1 ASP A 110 81.461 68.424 -26.181 1.00 44.92 O ATOM 1727 OD2 ASP A 110 79.778 67.599 -27.354 1.00 36.90 O ATOM 1728 HA ASP A 110 81.636 64.297 -25.686 1.00 0.00 H ATOM 1729 HB2 ASP A 110 79.844 65.689 -25.677 1.00 0.00 H ATOM 1730 HB3 ASP A 110 81.096 66.438 -24.659 1.00 0.00 H ATOM 1731 H ASP A 110 83.710 65.143 -25.153 1.00 0.00 H ATOM 1732 N GLY A 111 82.534 63.898 -28.159 1.00 13.56 N ATOM 1733 CA GLY A 111 82.514 63.404 -29.525 1.00 12.04 C ATOM 1734 C GLY A 111 82.832 64.376 -30.635 1.00 10.65 C ATOM 1735 O GLY A 111 82.516 64.116 -31.798 1.00 11.85 O ATOM 1736 HA3 GLY A 111 81.515 63.012 -29.714 1.00 0.00 H ATOM 1737 HA2 GLY A 111 83.239 62.592 -29.587 1.00 0.00 H ATOM 1738 H GLY A 111 83.211 63.484 -27.487 1.00 0.00 H ATOM 1739 N LYS A 112 83.450 65.494 -30.285 1.00 11.92 N ATOM 1740 CA LYS A 112 83.831 66.506 -31.262 1.00 13.33 C ATOM 1741 C LYS A 112 85.347 66.596 -31.113 1.00 11.84 C ATOM 1742 O LYS A 112 85.849 66.549 -29.983 1.00 11.77 O ATOM 1743 CB LYS A 112 83.158 67.837 -30.906 1.00 13.47 C ATOM 1744 CG LYS A 112 83.203 68.900 -31.992 1.00 21.63 C ATOM 1745 CD LYS A 112 82.770 70.284 -31.437 1.00 30.09 C ATOM 1746 CE LYS A 112 81.413 70.776 -31.980 1.00 36.07 C ATOM 1747 NZ LYS A 112 81.494 71.845 -33.046 1.00 35.46 N ATOM 1748 HA LYS A 112 83.532 66.269 -32.283 1.00 0.00 H ATOM 1749 HB2 LYS A 112 82.112 67.635 -30.676 1.00 0.00 H ATOM 1750 HB3 LYS A 112 83.652 68.238 -30.021 1.00 0.00 H ATOM 1751 HG2 LYS A 112 84.220 68.973 -32.377 1.00 0.00 H ATOM 1752 HG3 LYS A 112 82.529 68.613 -32.800 1.00 0.00 H ATOM 1753 HD2 LYS A 112 82.701 70.213 -30.352 1.00 0.00 H ATOM 1754 HD3 LYS A 112 83.533 71.015 -31.704 1.00 0.00 H ATOM 1755 HE2 LYS A 112 80.840 71.177 -31.144 1.00 0.00 H ATOM 1756 HE3 LYS A 112 80.888 69.919 -32.401 1.00 0.00 H ATOM 1757 HZ1 LYS A 112 81.980 72.680 -32.661 1.00 0.00 H ATOM 1758 HZ2 LYS A 112 82.025 71.479 -33.862 1.00 0.00 H ATOM 1759 HZ3 LYS A 112 80.533 72.108 -33.345 1.00 0.00 H ATOM 1760 H LYS A 112 83.670 65.655 -29.281 1.00 0.00 H ATOM 1761 N MET A 113 86.096 66.589 -32.213 1.00 8.70 N ATOM 1762 CA MET A 113 87.540 66.694 -32.041 1.00 10.47 C ATOM 1763 C MET A 113 88.003 68.152 -31.928 1.00 9.29 C ATOM 1764 O MET A 113 87.762 68.979 -32.822 1.00 9.97 O ATOM 1765 CB MET A 113 88.325 65.979 -33.138 1.00 11.32 C ATOM 1766 CG MET A 113 89.844 66.250 -33.006 1.00 9.99 C ATOM 1767 SD MET A 113 90.894 65.395 -34.166 1.00 7.15 S ATOM 1768 CE MET A 113 90.740 66.356 -35.645 1.00 2.00 C ATOM 1769 HA MET A 113 87.755 66.188 -31.100 1.00 0.00 H ATOM 1770 HB2 MET A 113 88.147 64.906 -33.062 1.00 0.00 H ATOM 1771 HB3 MET A 113 87.983 66.335 -34.110 1.00 0.00 H ATOM 1772 HG2 MET A 113 90.149 65.958 -32.001 1.00 0.00 H ATOM 1773 HG3 MET A 113 90.005 67.320 -33.136 1.00 0.00 H ATOM 1774 HE1 MET A 113 89.697 66.370 -35.960 1.00 0.00 H ATOM 1775 HE2 MET A 113 91.077 67.375 -35.452 1.00 0.00 H ATOM 1776 HE3 MET A 113 91.352 65.913 -36.430 1.00 0.00 H ATOM 1777 H MET A 113 85.668 66.512 -33.158 1.00 0.00 H ATOM 1778 N VAL A 114 88.678 68.461 -30.831 1.00 3.50 N ATOM 1779 CA VAL A 114 89.153 69.810 -30.615 1.00 2.64 C ATOM 1780 C VAL A 114 90.674 69.847 -30.624 1.00 2.27 C ATOM 1781 O VAL A 114 91.344 69.113 -29.906 1.00 3.92 O ATOM 1782 CB VAL A 114 88.554 70.411 -29.319 1.00 2.06 C ATOM 1783 CG1 VAL A 114 87.041 70.204 -29.326 1.00 5.41 C ATOM 1784 CG2 VAL A 114 89.128 69.756 -28.100 1.00 2.00 C ATOM 1785 HA VAL A 114 88.810 70.438 -31.437 1.00 0.00 H ATOM 1786 HB VAL A 114 88.798 71.473 -29.289 1.00 0.00 H ATOM 1787 HG11 VAL A 114 86.611 70.702 -30.195 1.00 0.00 H ATOM 1788 HG12 VAL A 114 86.822 69.137 -29.372 1.00 0.00 H ATOM 1789 HG13 VAL A 114 86.614 70.625 -28.416 1.00 0.00 H ATOM 1790 HG21 VAL A 114 88.906 68.689 -28.124 1.00 0.00 H ATOM 1791 HG22 VAL A 114 90.208 69.903 -28.085 1.00 0.00 H ATOM 1792 HG23 VAL A 114 88.687 70.201 -27.208 1.00 0.00 H ATOM 1793 H VAL A 114 88.868 67.727 -30.119 1.00 0.00 H ATOM 1794 N MET A 115 91.221 70.642 -31.523 1.00 2.99 N ATOM 1795 CA MET A 115 92.653 70.779 -31.647 1.00 2.00 C ATOM 1796 C MET A 115 92.959 72.120 -31.014 1.00 4.88 C ATOM 1797 O MET A 115 92.150 73.039 -31.088 1.00 8.47 O ATOM 1798 CB MET A 115 93.043 70.764 -33.135 1.00 2.02 C ATOM 1799 CG MET A 115 94.497 71.068 -33.404 1.00 7.01 C ATOM 1800 SD MET A 115 95.119 70.646 -35.058 1.00 14.43 S ATOM 1801 CE MET A 115 94.148 71.772 -36.046 1.00 3.66 C ATOM 1802 HA MET A 115 93.207 69.972 -31.168 1.00 0.00 H ATOM 1803 HB2 MET A 115 92.822 69.775 -33.535 1.00 0.00 H ATOM 1804 HB3 MET A 115 92.438 71.508 -33.653 1.00 0.00 H ATOM 1805 HG2 MET A 115 95.091 70.517 -32.675 1.00 0.00 H ATOM 1806 HG3 MET A 115 94.645 72.138 -33.257 1.00 0.00 H ATOM 1807 HE1 MET A 115 93.089 71.559 -35.902 1.00 0.00 H ATOM 1808 HE2 MET A 115 94.359 72.797 -35.740 1.00 0.00 H ATOM 1809 HE3 MET A 115 94.405 71.645 -37.098 1.00 0.00 H ATOM 1810 H MET A 115 90.604 71.185 -32.160 1.00 0.00 H ATOM 1811 N THR A 116 94.079 72.230 -30.329 1.00 5.69 N ATOM 1812 CA THR A 116 94.427 73.506 -29.734 1.00 6.98 C ATOM 1813 C THR A 116 95.897 73.831 -30.104 1.00 8.21 C ATOM 1814 O THR A 116 96.831 73.254 -29.553 1.00 12.15 O ATOM 1815 CB THR A 116 94.079 73.535 -28.183 1.00 5.18 C ATOM 1816 OG1 THR A 116 95.248 73.750 -27.397 1.00 2.00 O ATOM 1817 CG2 THR A 116 93.390 72.240 -27.727 1.00 3.81 C ATOM 1818 HA THR A 116 93.820 74.315 -30.139 1.00 0.00 H ATOM 1819 HB THR A 116 93.389 74.365 -28.034 1.00 0.00 H ATOM 1820 HG1 THR A 116 95.895 73.019 -27.563 1.00 0.00 H ATOM 1821 HG23 THR A 116 92.496 72.075 -28.328 1.00 0.00 H ATOM 1822 HG21 THR A 116 94.075 71.401 -27.854 1.00 0.00 H ATOM 1823 HG22 THR A 116 93.112 72.328 -26.677 1.00 0.00 H ATOM 1824 H THR A 116 94.708 71.409 -30.216 1.00 0.00 H ATOM 1825 N LEU A 117 96.068 74.661 -31.138 1.00 6.40 N ATOM 1826 CA LEU A 117 97.382 75.072 -31.659 1.00 2.85 C ATOM 1827 C LEU A 117 98.000 76.077 -30.701 1.00 5.07 C ATOM 1828 O LEU A 117 97.318 77.006 -30.235 1.00 2.00 O ATOM 1829 CB LEU A 117 97.254 75.753 -33.035 1.00 2.00 C ATOM 1830 CG LEU A 117 96.342 75.297 -34.185 1.00 2.00 C ATOM 1831 CD1 LEU A 117 96.679 73.917 -34.654 1.00 2.00 C ATOM 1832 CD2 LEU A 117 94.896 75.342 -33.768 1.00 2.01 C ATOM 1833 HA LEU A 117 97.999 74.179 -31.758 1.00 0.00 H ATOM 1834 HB2 LEU A 117 96.953 76.778 -32.820 1.00 0.00 H ATOM 1835 HB3 LEU A 117 98.262 75.751 -33.451 1.00 0.00 H ATOM 1836 HG LEU A 117 96.507 75.989 -35.011 1.00 0.00 H ATOM 1837 HD21 LEU A 117 94.745 74.681 -32.914 1.00 0.00 H ATOM 1838 HD22 LEU A 117 94.631 76.362 -33.491 1.00 0.00 H ATOM 1839 HD23 LEU A 117 94.270 75.015 -34.598 1.00 0.00 H ATOM 1840 HD11 LEU A 117 97.710 73.896 -35.008 1.00 0.00 H ATOM 1841 HD12 LEU A 117 96.563 73.215 -33.828 1.00 0.00 H ATOM 1842 HD13 LEU A 117 96.009 73.637 -35.467 1.00 0.00 H ATOM 1843 H LEU A 117 95.219 75.040 -31.604 1.00 0.00 H ATOM 1844 N THR A 118 99.314 75.975 -30.508 1.00 5.57 N ATOM 1845 CA THR A 118 100.000 76.863 -29.578 1.00 3.96 C ATOM 1846 C THR A 118 101.463 77.253 -29.913 1.00 4.57 C ATOM 1847 O THR A 118 102.272 76.415 -30.306 1.00 7.45 O ATOM 1848 CB THR A 118 99.852 76.290 -28.127 1.00 4.66 C ATOM 1849 OG1 THR A 118 100.845 76.850 -27.275 1.00 8.97 O ATOM 1850 CG2 THR A 118 99.940 74.748 -28.101 1.00 5.62 C ATOM 1851 HA THR A 118 99.497 77.825 -29.673 1.00 0.00 H ATOM 1852 HB THR A 118 98.862 76.569 -27.765 1.00 0.00 H ATOM 1853 HG1 THR A 118 100.741 76.481 -26.362 1.00 0.00 H ATOM 1854 HG23 THR A 118 99.176 74.331 -28.756 1.00 0.00 H ATOM 1855 HG21 THR A 118 100.926 74.436 -28.446 1.00 0.00 H ATOM 1856 HG22 THR A 118 99.780 74.393 -27.083 1.00 0.00 H ATOM 1857 H THR A 118 99.856 75.254 -31.026 1.00 0.00 H ATOM 1858 N PHE A 119 101.783 78.540 -29.795 1.00 3.84 N ATOM 1859 CA PHE A 119 103.135 79.029 -30.068 1.00 6.90 C ATOM 1860 C PHE A 119 103.462 80.244 -29.186 1.00 6.52 C ATOM 1861 O PHE A 119 102.777 81.266 -29.222 1.00 7.84 O ATOM 1862 CB PHE A 119 103.278 79.402 -31.541 1.00 6.97 C ATOM 1863 CG PHE A 119 104.670 79.799 -31.938 1.00 6.41 C ATOM 1864 CD1 PHE A 119 105.659 78.840 -32.103 1.00 12.19 C ATOM 1865 CD2 PHE A 119 104.988 81.136 -32.179 1.00 9.17 C ATOM 1866 CE1 PHE A 119 106.949 79.214 -32.510 1.00 15.98 C ATOM 1867 CE2 PHE A 119 106.272 81.522 -32.584 1.00 4.44 C ATOM 1868 CZ PHE A 119 107.245 80.571 -32.751 1.00 9.04 C ATOM 1869 HA PHE A 119 103.839 78.230 -29.835 1.00 0.00 H ATOM 1870 HB2 PHE A 119 102.982 78.543 -32.143 1.00 0.00 H ATOM 1871 HB3 PHE A 119 102.610 80.238 -31.750 1.00 0.00 H ATOM 1872 HD2 PHE A 119 104.219 81.898 -32.049 1.00 0.00 H ATOM 1873 HE2 PHE A 119 106.496 82.573 -32.765 1.00 0.00 H ATOM 1874 HZ PHE A 119 108.246 80.863 -33.069 1.00 0.00 H ATOM 1875 HE1 PHE A 119 107.721 78.456 -32.640 1.00 0.00 H ATOM 1876 HD1 PHE A 119 105.433 77.790 -31.915 1.00 0.00 H ATOM 1877 H PHE A 119 101.051 79.217 -29.500 1.00 0.00 H ATOM 1878 N GLY A 120 104.540 80.162 -28.423 1.00 2.34 N ATOM 1879 CA GLY A 120 104.855 81.273 -27.562 1.00 3.80 C ATOM 1880 C GLY A 120 103.670 81.339 -26.636 1.00 3.87 C ATOM 1881 O GLY A 120 103.227 80.311 -26.127 1.00 3.09 O ATOM 1882 HA3 GLY A 120 104.956 82.195 -28.135 1.00 0.00 H ATOM 1883 HA2 GLY A 120 105.775 81.089 -27.007 1.00 0.00 H ATOM 1884 H GLY A 120 105.145 79.316 -28.444 1.00 0.00 H ATOM 1885 N ASP A 121 103.137 82.527 -26.414 1.00 7.02 N ATOM 1886 CA ASP A 121 101.972 82.603 -25.565 1.00 10.92 C ATOM 1887 C ASP A 121 100.726 83.023 -26.331 1.00 12.33 C ATOM 1888 O ASP A 121 99.839 83.690 -25.798 1.00 16.84 O ATOM 1889 CB ASP A 121 102.207 83.395 -24.265 1.00 15.06 C ATOM 1890 CG ASP A 121 103.076 84.623 -24.449 1.00 24.24 C ATOM 1891 OD1 ASP A 121 102.506 85.733 -24.608 1.00 25.36 O ATOM 1892 OD2 ASP A 121 104.324 84.487 -24.384 1.00 29.95 O ATOM 1893 HA ASP A 121 101.778 81.586 -25.224 1.00 0.00 H ATOM 1894 HB2 ASP A 121 101.240 83.713 -23.875 1.00 0.00 H ATOM 1895 HB3 ASP A 121 102.690 82.736 -23.543 1.00 0.00 H ATOM 1896 H ASP A 121 103.545 83.384 -26.839 1.00 0.00 H ATOM 1897 N VAL A 122 100.652 82.578 -27.583 1.00 10.07 N ATOM 1898 CA VAL A 122 99.501 82.840 -28.437 1.00 10.28 C ATOM 1899 C VAL A 122 98.892 81.471 -28.845 1.00 10.69 C ATOM 1900 O VAL A 122 99.475 80.700 -29.615 1.00 9.98 O ATOM 1901 CB VAL A 122 99.882 83.748 -29.645 1.00 9.69 C ATOM 1902 CG1 VAL A 122 100.967 83.122 -30.479 1.00 8.18 C ATOM 1903 CG2 VAL A 122 98.672 84.069 -30.488 1.00 11.87 C ATOM 1904 HA VAL A 122 98.740 83.407 -27.902 1.00 0.00 H ATOM 1905 HB VAL A 122 100.269 84.684 -29.243 1.00 0.00 H ATOM 1906 HG11 VAL A 122 101.854 82.971 -29.864 1.00 0.00 H ATOM 1907 HG12 VAL A 122 100.621 82.162 -30.862 1.00 0.00 H ATOM 1908 HG13 VAL A 122 101.209 83.781 -31.313 1.00 0.00 H ATOM 1909 HG21 VAL A 122 98.241 83.144 -30.870 1.00 0.00 H ATOM 1910 HG22 VAL A 122 97.934 84.591 -29.879 1.00 0.00 H ATOM 1911 HG23 VAL A 122 98.970 84.704 -31.323 1.00 0.00 H ATOM 1912 H VAL A 122 101.444 82.023 -27.966 1.00 0.00 H ATOM 1913 N VAL A 123 97.758 81.149 -28.231 1.00 8.51 N ATOM 1914 CA VAL A 123 97.054 79.893 -28.446 1.00 8.86 C ATOM 1915 C VAL A 123 95.906 80.065 -29.452 1.00 9.85 C ATOM 1916 O VAL A 123 95.298 81.140 -29.535 1.00 11.23 O ATOM 1917 CB VAL A 123 96.448 79.392 -27.108 1.00 11.59 C ATOM 1918 CG1 VAL A 123 96.259 77.887 -27.132 1.00 14.96 C ATOM 1919 CG2 VAL A 123 97.321 79.803 -25.933 1.00 11.01 C ATOM 1920 HA VAL A 123 97.775 79.175 -28.837 1.00 0.00 H ATOM 1921 HB VAL A 123 95.470 79.857 -26.986 1.00 0.00 H ATOM 1922 HG11 VAL A 123 95.585 77.620 -27.946 1.00 0.00 H ATOM 1923 HG12 VAL A 123 97.224 77.403 -27.284 1.00 0.00 H ATOM 1924 HG13 VAL A 123 95.833 77.560 -26.183 1.00 0.00 H ATOM 1925 HG21 VAL A 123 98.315 79.372 -26.052 1.00 0.00 H ATOM 1926 HG22 VAL A 123 97.396 80.890 -25.900 1.00 0.00 H ATOM 1927 HG23 VAL A 123 96.875 79.440 -25.007 1.00 0.00 H ATOM 1928 H VAL A 123 97.351 81.832 -27.560 1.00 0.00 H ATOM 1929 N ALA A 124 95.585 78.993 -30.171 1.00 4.83 N ATOM 1930 CA ALA A 124 94.517 79.002 -31.160 1.00 3.08 C ATOM 1931 C ALA A 124 93.748 77.706 -30.931 1.00 5.99 C ATOM 1932 O ALA A 124 94.323 76.725 -30.457 1.00 8.31 O ATOM 1933 CB ALA A 124 95.096 79.050 -32.555 1.00 2.00 C ATOM 1934 HA ALA A 124 93.870 79.874 -31.061 1.00 0.00 H ATOM 1935 HB1 ALA A 124 95.694 79.954 -32.668 1.00 0.00 H ATOM 1936 HB2 ALA A 124 95.725 78.174 -32.716 1.00 0.00 H ATOM 1937 HB3 ALA A 124 94.285 79.056 -33.284 1.00 0.00 H ATOM 1938 H ALA A 124 96.118 78.113 -30.021 1.00 0.00 H ATOM 1939 N VAL A 125 92.453 77.690 -31.236 1.00 6.91 N ATOM 1940 CA VAL A 125 91.630 76.494 -31.015 1.00 5.05 C ATOM 1941 C VAL A 125 90.734 76.158 -32.201 1.00 4.83 C ATOM 1942 O VAL A 125 90.137 77.043 -32.796 1.00 7.70 O ATOM 1943 CB VAL A 125 90.804 76.641 -29.730 1.00 2.87 C ATOM 1944 CG1 VAL A 125 89.693 75.578 -29.650 1.00 2.00 C ATOM 1945 CG2 VAL A 125 91.737 76.534 -28.530 1.00 2.00 C ATOM 1946 HA VAL A 125 92.318 75.656 -30.904 1.00 0.00 H ATOM 1947 HB VAL A 125 90.316 77.616 -29.732 1.00 0.00 H ATOM 1948 HG11 VAL A 125 89.025 75.687 -30.505 1.00 0.00 H ATOM 1949 HG12 VAL A 125 90.141 74.584 -29.662 1.00 0.00 H ATOM 1950 HG13 VAL A 125 89.129 75.713 -28.727 1.00 0.00 H ATOM 1951 HG21 VAL A 125 92.232 75.563 -28.542 1.00 0.00 H ATOM 1952 HG22 VAL A 125 92.485 77.325 -28.581 1.00 0.00 H ATOM 1953 HG23 VAL A 125 91.159 76.637 -27.612 1.00 0.00 H ATOM 1954 H VAL A 125 92.014 78.542 -31.639 1.00 0.00 H ATOM 1955 N ARG A 126 90.619 74.873 -32.522 1.00 2.79 N ATOM 1956 CA ARG A 126 89.829 74.443 -33.663 1.00 3.99 C ATOM 1957 C ARG A 126 88.828 73.364 -33.267 1.00 6.90 C ATOM 1958 O ARG A 126 89.066 72.604 -32.313 1.00 6.79 O ATOM 1959 CB ARG A 126 90.767 73.895 -34.743 1.00 3.66 C ATOM 1960 CG ARG A 126 91.993 74.764 -35.029 1.00 4.56 C ATOM 1961 CD ARG A 126 91.771 75.736 -36.176 1.00 6.58 C ATOM 1962 NE ARG A 126 91.550 75.007 -37.416 1.00 7.14 N ATOM 1963 CZ ARG A 126 91.669 75.523 -38.634 1.00 8.13 C ATOM 1964 NH1 ARG A 126 92.007 76.801 -38.808 1.00 5.02 N ATOM 1965 NH2 ARG A 126 91.477 74.739 -39.685 1.00 7.22 N ATOM 1966 HA ARG A 126 89.273 75.300 -34.042 1.00 0.00 H ATOM 1967 HB2 ARG A 126 91.114 72.912 -34.424 1.00 0.00 H ATOM 1968 HB3 ARG A 126 90.198 73.795 -35.668 1.00 0.00 H ATOM 1969 HG2 ARG A 126 92.234 75.333 -34.131 1.00 0.00 H ATOM 1970 HG3 ARG A 126 92.830 74.113 -35.281 1.00 0.00 H ATOM 1971 HD2 ARG A 126 92.649 76.373 -36.284 1.00 0.00 H ATOM 1972 HD3 ARG A 126 90.899 76.354 -35.961 1.00 0.00 H ATOM 1973 HE ARG A 126 91.278 74.006 -37.343 1.00 0.00 H ATOM 1974 HH12 ARG A 126 92.096 77.189 -39.769 1.00 0.00 H ATOM 1975 HH11 ARG A 126 92.182 77.410 -37.983 1.00 0.00 H ATOM 1976 HH22 ARG A 126 91.566 75.126 -40.646 1.00 0.00 H ATOM 1977 HH21 ARG A 126 91.237 73.736 -39.549 1.00 0.00 H ATOM 1978 H ARG A 126 91.106 74.159 -31.943 1.00 0.00 H ATOM 1979 N HIS A 127 87.714 73.308 -34.001 1.00 7.38 N ATOM 1980 CA HIS A 127 86.652 72.330 -33.767 1.00 8.14 C ATOM 1981 C HIS A 127 86.349 71.471 -34.996 1.00 11.80 C ATOM 1982 O HIS A 127 86.373 71.951 -36.144 1.00 11.19 O ATOM 1983 CB HIS A 127 85.394 73.022 -33.257 1.00 8.90 C ATOM 1984 CG HIS A 127 85.485 73.421 -31.815 1.00 14.38 C ATOM 1985 ND1 HIS A 127 86.116 74.580 -31.397 1.00 17.05 N ATOM 1986 CD2 HIS A 127 85.090 72.780 -30.686 1.00 8.15 C ATOM 1987 CE1 HIS A 127 86.109 74.630 -30.077 1.00 15.07 C ATOM 1988 NE2 HIS A 127 85.492 73.554 -29.624 1.00 12.48 N ATOM 1989 HA HIS A 127 87.015 71.645 -33.000 1.00 0.00 H ATOM 1990 HB2 HIS A 127 85.224 73.917 -33.855 1.00 0.00 H ATOM 1991 HB3 HIS A 127 84.551 72.341 -33.376 1.00 0.00 H ATOM 1992 HD2 HIS A 127 84.556 71.832 -30.632 1.00 0.00 H ATOM 1993 HE1 HIS A 127 86.539 75.424 -29.466 1.00 0.00 H ATOM 1994 H HIS A 127 87.596 73.992 -34.775 1.00 0.00 H ATOM 1995 N TYR A 128 86.085 70.189 -34.754 1.00 11.19 N ATOM 1996 CA TYR A 128 85.827 69.255 -35.833 1.00 10.01 C ATOM 1997 C TYR A 128 84.609 68.381 -35.569 1.00 11.20 C ATOM 1998 O TYR A 128 84.397 67.942 -34.439 1.00 9.33 O ATOM 1999 CB TYR A 128 87.078 68.389 -36.044 1.00 10.62 C ATOM 2000 CG TYR A 128 88.255 69.159 -36.632 1.00 11.14 C ATOM 2001 CD1 TYR A 128 88.387 69.309 -38.008 1.00 12.04 C ATOM 2002 CD2 TYR A 128 89.207 69.772 -35.814 1.00 4.86 C ATOM 2003 CE1 TYR A 128 89.427 70.046 -38.551 1.00 12.65 C ATOM 2004 CE2 TYR A 128 90.251 70.516 -36.352 1.00 2.01 C ATOM 2005 CZ TYR A 128 90.358 70.648 -37.720 1.00 8.53 C ATOM 2006 OH TYR A 128 91.397 71.376 -38.272 1.00 12.35 O ATOM 2007 HA TYR A 128 85.605 69.826 -36.735 1.00 0.00 H ATOM 2008 HB3 TYR A 128 86.824 67.574 -36.722 1.00 0.00 H ATOM 2009 HB2 TYR A 128 87.380 67.978 -35.081 1.00 0.00 H ATOM 2010 HD2 TYR A 128 89.130 69.665 -34.732 1.00 0.00 H ATOM 2011 HE2 TYR A 128 90.980 70.992 -35.696 1.00 0.00 H ATOM 2012 HE1 TYR A 128 89.513 70.152 -39.632 1.00 0.00 H ATOM 2013 HD1 TYR A 128 87.660 68.839 -38.671 1.00 0.00 H ATOM 2014 HH TYR A 128 91.318 71.365 -39.259 1.00 0.00 H ATOM 2015 H TYR A 128 86.063 69.850 -33.771 1.00 0.00 H ATOM 2016 N GLU A 129 83.804 68.166 -36.614 1.00 12.09 N ATOM 2017 CA GLU A 129 82.608 67.333 -36.548 1.00 14.97 C ATOM 2018 C GLU A 129 82.774 66.094 -37.404 1.00 17.42 C ATOM 2019 O GLU A 129 83.089 66.184 -38.602 1.00 13.90 O ATOM 2020 CB GLU A 129 81.383 68.099 -36.999 1.00 19.76 C ATOM 2021 CG GLU A 129 80.752 68.866 -35.875 1.00 29.92 C ATOM 2022 CD GLU A 129 79.334 68.447 -35.662 1.00 34.94 C ATOM 2023 OE1 GLU A 129 78.555 68.594 -36.629 1.00 37.93 O ATOM 2024 OE2 GLU A 129 79.011 67.952 -34.553 1.00 38.11 O ATOM 2025 HA GLU A 129 82.471 67.036 -35.508 1.00 0.00 H ATOM 2026 HB2 GLU A 129 81.674 68.799 -37.782 1.00 0.00 H ATOM 2027 HB3 GLU A 129 80.653 67.393 -37.397 1.00 0.00 H ATOM 2028 HG2 GLU A 129 81.317 68.686 -34.960 1.00 0.00 H ATOM 2029 HG3 GLU A 129 80.777 69.930 -36.112 1.00 0.00 H ATOM 2030 H GLU A 129 84.042 68.616 -37.521 1.00 0.00 H ATOM 2031 N LYS A 130 82.564 64.936 -36.780 1.00 17.76 N ATOM 2032 CA LYS A 130 82.725 63.658 -37.456 1.00 16.01 C ATOM 2033 C LYS A 130 81.670 63.489 -38.547 1.00 18.56 C ATOM 2034 O LYS A 130 80.485 63.305 -38.255 1.00 18.97 O ATOM 2035 CB LYS A 130 82.644 62.536 -36.425 1.00 12.76 C ATOM 2036 CG LYS A 130 83.260 61.249 -36.897 1.00 14.23 C ATOM 2037 CD LYS A 130 82.590 60.017 -36.303 1.00 13.46 C ATOM 2038 CE LYS A 130 83.160 59.634 -34.969 1.00 7.96 C ATOM 2039 NZ LYS A 130 82.770 60.606 -33.935 1.00 13.77 N ATOM 2040 HA LYS A 130 83.700 63.621 -37.942 1.00 0.00 H ATOM 2041 HB2 LYS A 130 83.163 62.857 -35.522 1.00 0.00 H ATOM 2042 HB3 LYS A 130 81.595 62.353 -36.194 1.00 0.00 H ATOM 2043 HG2 LYS A 130 83.176 61.201 -37.983 1.00 0.00 H ATOM 2044 HG3 LYS A 130 84.313 61.243 -36.614 1.00 0.00 H ATOM 2045 HD2 LYS A 130 81.526 60.222 -36.182 1.00 0.00 H ATOM 2046 HD3 LYS A 130 82.722 59.182 -36.991 1.00 0.00 H ATOM 2047 HE2 LYS A 130 84.247 59.604 -35.040 1.00 0.00 H ATOM 2048 HE3 LYS A 130 82.788 58.648 -34.691 1.00 0.00 H ATOM 2049 HZ1 LYS A 130 83.126 61.548 -34.194 1.00 0.00 H ATOM 2050 HZ2 LYS A 130 81.733 60.635 -33.861 1.00 0.00 H ATOM 2051 HZ3 LYS A 130 83.176 60.320 -33.021 1.00 0.00 H ATOM 2052 H LYS A 130 82.277 64.946 -35.781 1.00 0.00 H ATOM 2053 N ALA A 131 82.094 63.635 -39.798 1.00 22.22 N ATOM 2054 CA ALA A 131 81.187 63.504 -40.931 1.00 23.68 C ATOM 2055 C ALA A 131 81.486 62.202 -41.663 1.00 29.73 C ATOM 2056 O ALA A 131 81.288 61.121 -41.043 1.00 33.12 O ATOM 2057 CB ALA A 131 81.340 64.685 -41.862 1.00 19.84 C ATOM 2058 HA ALA A 131 80.157 63.486 -40.574 1.00 0.00 H ATOM 2059 OXT ALA A 131 81.943 62.271 -42.834 1.00 33.75 O ATOM 2060 HB1 ALA A 131 81.108 65.603 -41.323 1.00 0.00 H ATOM 2061 HB2 ALA A 131 82.366 64.727 -42.228 1.00 0.00 H ATOM 2062 HB3 ALA A 131 80.656 64.574 -42.704 1.00 0.00 H ATOM 2063 H ALA A 131 83.097 63.848 -39.973 1.00 0.00 H TER 2064 ALA A 131 HETATM 2065 C1 OLA A 1 94.325 71.769 -40.228 1.00 0.03 C HETATM 2066 O1 OLA A 1 94.708 70.633 -40.584 1.00 -0.57 O HETATM 2067 O2 OLA A 1 93.171 72.191 -40.446 1.00 -0.57 O HETATM 2068 C2 OLA A 1 95.299 72.677 -39.495 1.00 0.00 C HETATM 2069 C3 OLA A 1 96.704 72.632 -40.077 1.00 -0.04 C HETATM 2070 C4 OLA A 1 97.655 73.541 -39.314 1.00 -0.05 C HETATM 2071 C5 OLA A 1 99.066 73.447 -39.878 1.00 -0.05 C HETATM 2072 C6 OLA A 1 100.044 74.362 -39.145 1.00 -0.05 C HETATM 2073 C7 OLA A 1 99.726 75.838 -39.360 1.00 -0.05 C HETATM 2074 C8 OLA A 1 99.758 76.203 -40.836 1.00 -0.05 C HETATM 2075 C9 OLA A 1 99.526 77.554 -41.515 1.00 -0.05 C HETATM 2076 C10 OLA A 1 99.352 77.613 -42.840 1.00 -0.05 C HETATM 2077 C11 OLA A 1 98.002 77.330 -43.501 1.00 -0.05 C HETATM 2078 C12 OLA A 1 96.651 77.374 -42.801 1.00 -0.05 C HETATM 2079 C13 OLA A 1 95.604 76.565 -43.548 1.00 -0.05 C HETATM 2080 C14 OLA A 1 95.817 75.071 -43.343 1.00 -0.05 C HETATM 2081 C15 OLA A 1 94.793 74.243 -44.108 1.00 -0.05 C HETATM 2082 C16 OLA A 1 95.023 74.304 -45.613 1.00 -0.05 C HETATM 2083 C17 OLA A 1 96.344 73.653 -46.011 1.00 -0.06 C HETATM 2084 C18 OLA A 1 96.363 72.167 -45.679 1.00 -0.07 C HETATM 2085 H33 OLA A 1 97.329 71.736 -45.980 1.00 0.02 H HETATM 2086 H34 OLA A 1 95.551 71.660 -46.220 1.00 0.02 H HETATM 2087 H35 OLA A 1 96.223 72.031 -44.596 1.00 0.02 H HETATM 2088 H31 OLA A 1 97.163 74.149 -45.470 1.00 0.03 H HETATM 2089 H32 OLA A 1 96.491 73.778 -47.094 1.00 0.03 H HETATM 2090 H29 OLA A 1 95.036 75.358 -45.929 1.00 0.03 H HETATM 2091 H30 OLA A 1 94.200 73.779 -46.120 1.00 0.03 H HETATM 2092 H27 OLA A 1 93.787 74.628 -43.886 1.00 0.03 H HETATM 2093 H28 OLA A 1 94.865 73.196 -43.779 1.00 0.03 H HETATM 2094 H25 OLA A 1 95.730 74.843 -42.270 1.00 0.03 H HETATM 2095 H26 OLA A 1 96.825 74.804 -43.694 1.00 0.03 H HETATM 2096 H23 OLA A 1 95.672 76.794 -44.622 1.00 0.03 H HETATM 2097 H24 OLA A 1 94.606 76.840 -43.177 1.00 0.03 H HETATM 2098 H21 OLA A 1 96.316 78.420 -42.739 1.00 0.03 H HETATM 2099 H22 OLA A 1 96.762 76.963 -41.786 1.00 0.03 H HETATM 2100 H19 OLA A 1 98.085 76.312 -43.910 1.00 0.03 H HETATM 2101 H20 OLA A 1 97.925 78.052 -44.328 1.00 0.03 H HETATM 2102 H17 OLA A 1 100.062 76.894 -43.275 1.00 0.03 H HETATM 2103 H18 OLA A 1 99.632 78.633 -43.141 1.00 0.03 H HETATM 2104 H15 OLA A 1 100.398 78.182 -41.281 1.00 0.03 H HETATM 2105 H16 OLA A 1 98.626 77.990 -41.056 1.00 0.03 H HETATM 2106 H13 OLA A 1 99.010 75.539 -41.294 1.00 0.03 H HETATM 2107 H14 OLA A 1 100.764 75.905 -41.166 1.00 0.03 H HETATM 2108 H11 OLA A 1 100.470 76.446 -38.825 1.00 0.03 H HETATM 2109 H12 OLA A 1 98.723 76.050 -38.961 1.00 0.03 H HETATM 2110 H9 OLA A 1 101.061 74.162 -39.514 1.00 0.03 H HETATM 2111 H10 OLA A 1 99.995 74.143 -38.068 1.00 0.03 H HETATM 2112 H7 OLA A 1 99.042 73.733 -40.940 1.00 0.03 H HETATM 2113 H8 OLA A 1 99.416 72.408 -39.785 1.00 0.03 H HETATM 2114 H5 OLA A 1 97.669 73.240 -38.256 1.00 0.03 H HETATM 2115 H6 OLA A 1 97.303 74.580 -39.395 1.00 0.03 H HETATM 2116 H3 OLA A 1 96.666 72.956 -41.127 1.00 0.03 H HETATM 2117 H4 OLA A 1 97.079 71.599 -40.025 1.00 0.03 H HETATM 2118 H1 OLA A 1 95.346 72.364 -38.441 1.00 0.04 H HETATM 2119 H2 OLA A 1 94.928 73.711 -39.554 1.00 0.04 H CONECT 1 2 16 17 18 CONECT 16 1 CONECT 17 1 CONECT 18 1 CONECT 2065 2066 2067 2068 CONECT 2066 2065 CONECT 2067 2065 CONECT 2068 2065 2069 2118 2119 CONECT 2069 2068 2070 2116 2117 CONECT 2070 2069 2071 2114 2115 CONECT 2071 2070 2072 2112 2113 CONECT 2072 2071 2073 2110 2111 CONECT 2073 2072 2074 2108 2109 CONECT 2074 2073 2075 2106 2107 CONECT 2075 2074 2076 2104 2105 CONECT 2076 2075 2077 2102 2103 CONECT 2077 2076 2078 2100 2101 CONECT 2078 2077 2079 2098 2099 CONECT 2079 2078 2080 2096 2097 CONECT 2080 2079 2081 2094 2095 CONECT 2081 2080 2082 2092 2093 CONECT 2082 2081 2083 2090 2091 CONECT 2083 2082 2084 2088 2089 CONECT 2084 2083 2085 2086 2087 CONECT 2085 2084 CONECT 2086 2084 CONECT 2087 2084 CONECT 2088 2083 CONECT 2089 2083 CONECT 2090 2082 CONECT 2091 2082 CONECT 2092 2081 CONECT 2093 2081 CONECT 2094 2080 CONECT 2095 2080 CONECT 2096 2079 CONECT 2097 2079 CONECT 2098 2078 CONECT 2099 2078 CONECT 2100 2077 CONECT 2101 2077 CONECT 2102 2076 CONECT 2103 2076 CONECT 2104 2075 CONECT 2105 2075 CONECT 2106 2074 CONECT 2107 2074 CONECT 2108 2073 CONECT 2109 2073 CONECT 2110 2072 CONECT 2111 2072 CONECT 2112 2071 CONECT 2113 2071 CONECT 2114 2070 CONECT 2115 2070 CONECT 2116 2069 CONECT 2117 2069 CONECT 2118 2068 CONECT 2119 2068 MASTER 0 0 0 0 0 0 0 0 2118 1 59 11 END
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Protein Sequence Similarity
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PDBbind
131aa, >1FDQ_1|Chains... at 100%
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
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Ligand Name
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PDBbind
OLA
3pgu
RCSB PDB
PDBbind
OLA
6md0
RCSB PDB
PDBbind
OLA
Entry Information
PDB ID
1fe3
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
fatty acid binding protein, brain
Ligand Name
OLA
EC.Number
E.C.-.-.-.-
Resolution
2.8(Å)
Affinity (Kd/Ki/IC50)
Kd=46.7nM
Release Year
2001
Protein/NA Sequence
Check fasta file
Primary Reference
J.Biol.Chem. v275 pp. 27045-54, 2000
Ligand Properties
Formula
C
1
8
H
3
6
O
2
Molecular Weight
284.477
Exact Mass
284.272
No. of atoms
56
No. of bonds
55
Polar Surface Area
37.3
LOGP Value
9.64 (
Computed with XLOGP3
)
6.33 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)O
InChI String
InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
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):
O15540
Entrez Gene ID
NCBI Entrez Gene ID:
2173
ASD
Information of known allosteric effects of PDB entries
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