Browse entries in the PDBbind-CN Database
HEADER 6O5G_COMPLEX COMPND 6O5G_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 143 LEU THR GLU GLU GLN ILE ALA GLU PHE LYS GLU ALA PHE SEQRES 2 A 143 SER LEU PHE ASP LYS ASP GLY ASP GLY THR ILE THR THR SEQRES 3 A 143 LYS GLU LEU GLY THR VAL MET ARG SER LEU GLY GLN ASN SEQRES 4 A 143 PRO THR GLU ALA GLU LEU GLN ASP MET ILE ASN GLU VAL SEQRES 5 A 143 ASP ALA ASP GLY ASN GLY THR ILE ASP PHE PRO GLU PHE SEQRES 6 A 143 LEU THR MET MET ALA ARG LYS MET LYS ASP THR ASP SER SEQRES 7 A 143 GLU GLU GLU ILE ARG GLU ALA PHE ARG VAL PHE ASP LYS SEQRES 8 A 143 ASP GLY ASN GLY TYR ILE SER ALA ALA GLU LEU ARG HIS SEQRES 9 A 143 VAL MET THR ASN LEU GLY GLU LYS LEU THR ASP GLU GLU SEQRES 10 A 143 VAL ASP GLU MET ILE ARG GLU ALA ASP ILE ASP GLY ASP SEQRES 11 A 143 GLY GLN VAL ASN TYR GLU GLU PHE VAL GLN MET MET THR HET CA A 1 1 HET CA A 2 1 HET CA A 3 1 HET CA A 4 1 HET ZN A 5 1 HET LMJ A 245 51 ATOM 1 N LEU A 5 26.192 58.921 129.576 1.00 59.43 N ATOM 2 CA LEU A 5 26.409 58.320 128.264 1.00 69.08 C ATOM 3 C LEU A 5 26.924 56.883 128.396 1.00 75.52 C ATOM 4 O LEU A 5 26.393 55.969 127.766 1.00 80.57 O ATOM 5 CB LEU A 5 27.386 59.178 127.443 1.00 74.61 C ATOM 6 CG LEU A 5 27.606 58.962 125.934 1.00 72.90 C ATOM 7 CD1 LEU A 5 28.487 57.749 125.635 1.00 78.00 C ATOM 8 CD2 LEU A 5 26.287 58.872 125.165 1.00 68.03 C ATOM 9 HN3 LEU A 5 27.089 58.935 130.102 1.00 0.00 H ATOM 10 HN2 LEU A 5 25.490 58.361 130.100 1.00 0.00 H ATOM 11 HN1 LEU A 5 25.843 59.894 129.457 1.00 0.00 H ATOM 12 N THR A 6 27.953 56.690 129.217 1.00 76.68 N ATOM 13 CA THR A 6 28.589 55.386 129.359 1.00 71.76 C ATOM 14 C THR A 6 27.787 54.485 130.292 1.00 71.51 C ATOM 15 O THR A 6 27.072 54.956 131.182 1.00 75.83 O ATOM 16 CB THR A 6 30.015 55.549 129.890 1.00 71.76 C ATOM 17 OG1 THR A 6 30.701 56.533 129.107 1.00 77.18 O ATOM 18 CG2 THR A 6 30.789 54.232 129.818 1.00 66.48 C ATOM 19 HG1 THR A 6 30.222 57.397 129.171 1.00 0.00 H ATOM 20 H THR A 6 28.314 57.492 129.773 1.00 0.00 H ATOM 21 N GLU A 7 27.906 53.171 130.071 1.00 68.05 N ATOM 22 CA GLU A 7 27.293 52.205 130.977 1.00 70.37 C ATOM 23 C GLU A 7 27.816 52.362 132.398 1.00 71.55 C ATOM 24 O GLU A 7 27.084 52.107 133.362 1.00 72.58 O ATOM 25 CB GLU A 7 27.545 50.777 130.488 1.00 77.70 C ATOM 26 CG GLU A 7 27.041 50.482 129.083 1.00 85.80 C ATOM 27 CD GLU A 7 28.049 50.844 128.006 1.00 91.64 C ATOM 28 OE1 GLU A 7 29.267 50.746 128.268 1.00 94.43 O ATOM 29 OE2 GLU A 7 27.622 51.228 126.897 1.00 90.84 O ATOM 30 H GLU A 7 28.441 52.834 129.245 1.00 0.00 H ATOM 31 N GLU A 8 29.078 52.770 132.545 1.00 72.43 N ATOM 32 CA GLU A 8 29.644 52.997 133.872 1.00 70.12 C ATOM 33 C GLU A 8 29.088 54.272 134.495 1.00 55.77 C ATOM 34 O GLU A 8 28.726 54.292 135.678 1.00 54.53 O ATOM 35 CB GLU A 8 31.169 53.066 133.781 1.00 81.74 C ATOM 36 CG GLU A 8 31.850 53.417 135.090 1.00 94.77 C ATOM 37 CD GLU A 8 33.163 54.149 134.888 1.00103.37 C ATOM 38 OE1 GLU A 8 33.431 54.586 133.746 1.00102.93 O ATOM 39 OE2 GLU A 8 33.924 54.290 135.870 1.00106.06 O ATOM 40 H GLU A 8 29.667 52.929 131.703 1.00 0.00 H ATOM 41 N GLN A 9 29.025 55.352 133.713 1.00 54.50 N ATOM 42 CA GLN A 9 28.487 56.611 134.215 1.00 52.00 C ATOM 43 C GLN A 9 27.033 56.460 134.643 1.00 51.78 C ATOM 44 O GLN A 9 26.637 56.933 135.714 1.00 43.72 O ATOM 45 CB GLN A 9 28.608 57.694 133.145 1.00 51.91 C ATOM 46 CG GLN A 9 30.022 58.045 132.754 1.00 59.96 C ATOM 47 CD GLN A 9 30.058 59.090 131.657 1.00 70.40 C ATOM 48 OE1 GLN A 9 30.090 58.760 130.472 1.00 75.16 O ATOM 49 NE2 GLN A 9 30.036 60.360 132.047 1.00 71.29 N ATOM 50 HE22 GLN A 9 30.009 60.592 133.060 1.00 0.00 H ATOM 51 HE21 GLN A 9 30.046 61.122 131.339 1.00 0.00 H ATOM 52 H GLN A 9 29.364 55.295 132.732 1.00 0.00 H ATOM 53 N ILE A 10 26.217 55.819 133.802 1.00 43.29 N ATOM 54 CA ILE A 10 24.803 55.647 134.121 1.00 40.14 C ATOM 55 C ILE A 10 24.637 54.840 135.402 1.00 39.07 C ATOM 56 O ILE A 10 23.788 55.154 136.243 1.00 38.20 O ATOM 57 CB ILE A 10 24.063 55.001 132.934 1.00 44.77 C ATOM 58 CG1 ILE A 10 23.865 56.034 131.825 1.00 45.44 C ATOM 59 CG2 ILE A 10 22.729 54.405 133.397 1.00 40.32 C ATOM 60 CD1 ILE A 10 23.701 55.448 130.436 1.00 54.04 C ATOM 61 H ILE A 10 26.593 55.438 132.910 1.00 0.00 H ATOM 62 N ALA A 11 25.452 53.799 135.582 1.00 34.90 N ATOM 63 CA ALA A 11 25.374 53.025 136.816 1.00 39.32 C ATOM 64 C ALA A 11 25.735 53.883 138.023 1.00 40.76 C ATOM 65 O ALA A 11 25.169 53.714 139.108 1.00 35.61 O ATOM 66 CB ALA A 11 26.283 51.802 136.733 1.00 47.40 C ATOM 67 H ALA A 11 26.140 53.541 134.846 1.00 0.00 H ATOM 68 N GLU A 12 26.671 54.817 137.850 1.00 45.86 N ATOM 69 CA GLU A 12 26.999 55.748 138.927 1.00 44.86 C ATOM 70 C GLU A 12 25.817 56.662 139.232 1.00 31.84 C ATOM 71 O GLU A 12 25.502 56.928 140.397 1.00 36.57 O ATOM 72 CB GLU A 12 28.236 56.561 138.540 1.00 57.66 C ATOM 73 CG GLU A 12 28.726 57.528 139.598 1.00 73.00 C ATOM 74 CD GLU A 12 30.098 57.155 140.130 1.00 89.31 C ATOM 75 OE1 GLU A 12 30.624 57.889 140.997 1.00 88.51 O ATOM 76 OE2 GLU A 12 30.649 56.125 139.681 1.00 96.36 O ATOM 77 H GLU A 12 27.172 54.883 136.941 1.00 0.00 H ATOM 78 N PHE A 13 25.142 57.146 138.188 1.00 32.40 N ATOM 79 CA PHE A 13 23.999 58.030 138.394 1.00 35.89 C ATOM 80 C PHE A 13 22.822 57.288 139.017 1.00 31.24 C ATOM 81 O PHE A 13 22.067 57.873 139.802 1.00 26.97 O ATOM 82 CB PHE A 13 23.596 58.674 137.067 1.00 36.79 C ATOM 83 CG PHE A 13 24.638 59.597 136.501 1.00 38.95 C ATOM 84 CD1 PHE A 13 25.433 60.363 137.343 1.00 46.12 C ATOM 85 CD2 PHE A 13 24.822 59.703 135.131 1.00 38.87 C ATOM 86 CE1 PHE A 13 26.392 61.222 136.827 1.00 43.56 C ATOM 87 CE2 PHE A 13 25.782 60.560 134.608 1.00 36.39 C ATOM 88 CZ PHE A 13 26.568 61.318 135.459 1.00 44.82 C ATOM 89 H PHE A 13 25.432 56.892 137.222 1.00 0.00 H ATOM 90 N LYS A 14 22.652 56.002 138.695 1.00 28.92 N ATOM 91 CA LYS A 14 21.618 55.229 139.371 1.00 31.76 C ATOM 92 C LYS A 14 21.922 55.063 140.851 1.00 31.90 C ATOM 93 O LYS A 14 20.999 55.065 141.675 1.00 28.64 O ATOM 94 CB LYS A 14 21.457 53.859 138.707 1.00 39.62 C ATOM 95 CG LYS A 14 20.203 53.115 139.136 1.00 50.05 C ATOM 96 CD LYS A 14 18.986 54.042 139.158 1.00 55.78 C ATOM 97 CE LYS A 14 17.677 53.268 139.284 1.00 58.86 C ATOM 98 NZ LYS A 14 16.481 54.158 139.401 1.00 49.86 N ATOM 99 HZ1 LYS A 14 16.577 54.757 140.246 1.00 0.00 H ATOM 100 HZ2 LYS A 14 16.413 54.759 138.555 1.00 0.00 H ATOM 101 HZ3 LYS A 14 15.624 53.575 139.483 1.00 0.00 H ATOM 102 H LYS A 14 23.251 55.558 137.970 1.00 0.00 H ATOM 103 N GLU A 15 23.199 54.891 141.209 1.00 32.47 N ATOM 104 CA GLU A 15 23.570 54.846 142.621 1.00 33.31 C ATOM 105 C GLU A 15 23.206 56.151 143.312 1.00 28.42 C ATOM 106 O GLU A 15 22.625 56.151 144.401 1.00 28.89 O ATOM 107 CB GLU A 15 25.066 54.566 142.766 1.00 38.85 C ATOM 108 CG GLU A 15 25.494 53.193 142.265 1.00 56.33 C ATOM 109 CD GLU A 15 26.993 52.975 142.381 1.00 73.12 C ATOM 110 OE1 GLU A 15 27.719 53.272 141.406 1.00 76.31 O ATOM 111 OE2 GLU A 15 27.446 52.520 143.454 1.00 79.70 O ATOM 112 H GLU A 15 23.932 54.789 140.478 1.00 0.00 H ATOM 113 N ALA A 16 23.537 57.279 142.681 1.00 31.43 N ATOM 114 CA ALA A 16 23.243 58.574 143.283 1.00 24.86 C ATOM 115 C ALA A 16 21.744 58.780 143.435 1.00 26.89 C ATOM 116 O ALA A 16 21.278 59.254 144.483 1.00 30.85 O ATOM 117 CB ALA A 16 23.868 59.687 142.443 1.00 28.72 C ATOM 118 H ALA A 16 24.007 57.234 141.755 1.00 0.00 H ATOM 119 N PHE A 17 20.972 58.422 142.401 1.00 19.50 N ATOM 120 CA PHE A 17 19.520 58.560 142.465 1.00 20.38 C ATOM 121 C PHE A 17 18.954 57.806 143.660 1.00 23.64 C ATOM 122 O PHE A 17 18.155 58.349 144.433 1.00 21.41 O ATOM 123 CB PHE A 17 18.870 58.062 141.169 1.00 21.82 C ATOM 124 CG PHE A 17 17.387 58.308 141.117 1.00 21.07 C ATOM 125 CD1 PHE A 17 16.897 59.534 140.709 1.00 19.67 C ATOM 126 CD2 PHE A 17 16.486 57.323 141.500 1.00 29.65 C ATOM 127 CE1 PHE A 17 15.536 59.783 140.681 1.00 21.92 C ATOM 128 CE2 PHE A 17 15.120 57.563 141.476 1.00 28.63 C ATOM 129 CZ PHE A 17 14.646 58.797 141.063 1.00 21.38 C ATOM 130 H PHE A 17 21.413 58.040 141.540 1.00 0.00 H ATOM 131 N SER A 18 19.360 56.542 143.826 1.00 26.63 N ATOM 132 CA SER A 18 18.840 55.739 144.924 1.00 32.50 C ATOM 133 C SER A 18 19.198 56.351 146.270 1.00 32.85 C ATOM 134 O SER A 18 18.407 56.282 147.216 1.00 33.95 O ATOM 135 CB SER A 18 19.369 54.308 144.831 1.00 46.00 C ATOM 136 OG SER A 18 18.890 53.668 143.663 1.00 59.01 O ATOM 137 HG SER A 18 19.190 54.172 142.865 1.00 0.00 H ATOM 138 H SER A 18 20.051 56.130 143.167 1.00 0.00 H ATOM 139 N LEU A 19 20.381 56.962 146.368 1.00 32.11 N ATOM 140 CA LEU A 19 20.771 57.616 147.615 1.00 35.19 C ATOM 141 C LEU A 19 19.851 58.779 147.935 1.00 37.48 C ATOM 142 O LEU A 19 19.387 58.924 149.071 1.00 47.38 O ATOM 143 CB LEU A 19 22.213 58.102 147.526 1.00 43.30 C ATOM 144 CG LEU A 19 23.255 57.171 148.133 1.00 54.49 C ATOM 145 CD1 LEU A 19 24.607 57.829 148.036 1.00 55.85 C ATOM 146 CD2 LEU A 19 22.910 56.857 149.581 1.00 58.34 C ATOM 147 H LEU A 19 21.028 56.972 145.553 1.00 0.00 H ATOM 148 N PHE A 20 19.590 59.632 146.941 1.00 25.76 N ATOM 149 CA PHE A 20 18.795 60.836 147.160 1.00 26.08 C ATOM 150 C PHE A 20 17.330 60.496 147.408 1.00 32.12 C ATOM 151 O PHE A 20 16.649 61.187 148.177 1.00 26.74 O ATOM 152 CB PHE A 20 18.927 61.779 145.956 1.00 31.94 C ATOM 153 CG PHE A 20 20.353 62.189 145.632 1.00 39.35 C ATOM 154 CD1 PHE A 20 21.414 61.851 146.462 1.00 46.11 C ATOM 155 CD2 PHE A 20 20.620 62.940 144.501 1.00 44.79 C ATOM 156 CE1 PHE A 20 22.711 62.233 146.155 1.00 45.89 C ATOM 157 CE2 PHE A 20 21.911 63.328 144.194 1.00 43.31 C ATOM 158 CZ PHE A 20 22.955 62.974 145.019 1.00 40.85 C ATOM 159 H PHE A 20 19.961 59.434 145.990 1.00 0.00 H ATOM 160 N ASP A 21 16.834 59.438 146.771 1.00 27.73 N ATOM 161 CA ASP A 21 15.451 58.992 146.905 1.00 21.79 C ATOM 162 C ASP A 21 15.365 58.150 148.170 1.00 30.61 C ATOM 163 O ASP A 21 15.388 56.920 148.130 1.00 28.58 O ATOM 164 CB ASP A 21 15.029 58.205 145.668 1.00 24.88 C ATOM 165 CG ASP A 21 13.626 57.670 145.772 1.00 29.95 C ATOM 166 OD1 ASP A 21 12.831 58.255 146.532 1.00 25.99 O ATOM 167 OD2 ASP A 21 13.319 56.654 145.101 1.00 28.15 O ATOM 168 H ASP A 21 17.466 58.900 146.144 1.00 0.00 H ATOM 169 N LYS A 22 15.251 58.828 149.316 1.00 30.97 N ATOM 170 CA LYS A 22 15.364 58.140 150.599 1.00 33.26 C ATOM 171 C LYS A 22 14.215 57.170 150.829 1.00 34.42 C ATOM 172 O LYS A 22 14.410 56.103 151.423 1.00 35.81 O ATOM 173 CB LYS A 22 15.426 59.158 151.739 1.00 47.08 C ATOM 174 CG LYS A 22 16.615 60.099 151.662 1.00 62.48 C ATOM 175 CD LYS A 22 17.379 60.144 152.982 1.00 71.43 C ATOM 176 CE LYS A 22 16.502 60.641 154.121 1.00 73.69 C ATOM 177 NZ LYS A 22 17.294 61.409 155.131 1.00 71.54 N ATOM 178 HZ1 LYS A 22 18.034 60.796 155.529 1.00 0.00 H ATOM 179 HZ2 LYS A 22 17.734 62.232 154.672 1.00 0.00 H ATOM 180 HZ3 LYS A 22 16.663 61.732 155.892 1.00 0.00 H ATOM 181 H LYS A 22 15.080 59.854 149.294 1.00 0.00 H ATOM 182 N ASP A 23 13.004 57.523 150.405 1.00 32.43 N ATOM 183 CA ASP A 23 11.884 56.622 150.650 1.00 36.32 C ATOM 184 C ASP A 23 11.709 55.584 149.545 1.00 31.97 C ATOM 185 O ASP A 23 10.795 54.756 149.627 1.00 33.16 O ATOM 186 CB ASP A 23 10.588 57.421 150.866 1.00 39.34 C ATOM 187 CG ASP A 23 10.148 58.193 149.629 1.00 33.57 C ATOM 188 OD1 ASP A 23 10.829 58.111 148.593 1.00 28.62 O ATOM 189 OD2 ASP A 23 9.105 58.883 149.700 1.00 32.40 O ATOM 190 H ASP A 23 12.859 58.425 149.908 1.00 0.00 H ATOM 191 N GLY A 24 12.568 55.595 148.529 1.00 27.77 N ATOM 192 CA GLY A 24 12.533 54.574 147.500 1.00 30.80 C ATOM 193 C GLY A 24 11.294 54.545 146.631 1.00 32.68 C ATOM 194 O GLY A 24 11.071 53.545 145.938 1.00 29.65 O ATOM 195 H GLY A 24 13.279 56.352 148.472 1.00 0.00 H ATOM 196 N ASP A 25 10.473 55.598 146.638 1.00 29.58 N ATOM 197 CA ASP A 25 9.289 55.598 145.783 1.00 29.72 C ATOM 198 C ASP A 25 9.611 55.917 144.332 1.00 28.73 C ATOM 199 O ASP A 25 8.694 55.961 143.505 1.00 27.04 O ATOM 200 CB ASP A 25 8.231 56.573 146.316 1.00 29.33 C ATOM 201 CG ASP A 25 8.592 58.040 146.092 1.00 35.25 C ATOM 202 OD1 ASP A 25 9.782 58.369 145.908 1.00 29.57 O ATOM 203 OD2 ASP A 25 7.658 58.873 146.131 1.00 37.11 O ATOM 204 H ASP A 25 10.676 56.414 147.250 1.00 0.00 H ATOM 205 N GLY A 26 10.879 56.135 144.000 1.00 22.86 N ATOM 206 CA GLY A 26 11.275 56.354 142.624 1.00 23.45 C ATOM 207 C GLY A 26 11.228 57.792 142.151 1.00 28.34 C ATOM 208 O GLY A 26 11.422 58.036 140.954 1.00 22.95 O ATOM 209 H GLY A 26 11.604 56.149 144.745 1.00 0.00 H ATOM 210 N THR A 27 10.955 58.750 143.037 1.00 27.43 N ATOM 211 CA THR A 27 10.947 60.162 142.672 1.00 24.42 C ATOM 212 C THR A 27 11.642 60.963 143.766 1.00 22.90 C ATOM 213 O THR A 27 11.545 60.630 144.946 1.00 23.96 O ATOM 214 CB THR A 27 9.523 60.714 142.480 1.00 36.85 C ATOM 215 OG1 THR A 27 8.953 60.986 143.761 1.00 46.58 O ATOM 216 CG2 THR A 27 8.631 59.724 141.745 1.00 42.37 C ATOM 217 HG1 THR A 27 9.510 61.654 144.233 1.00 0.00 H ATOM 218 H THR A 27 10.741 58.482 144.019 1.00 0.00 H ATOM 219 N ILE A 28 12.325 62.032 143.373 1.00 18.96 N ATOM 220 CA ILE A 28 13.027 62.906 144.312 1.00 14.73 C ATOM 221 C ILE A 28 12.198 64.170 144.507 1.00 19.75 C ATOM 222 O ILE A 28 11.923 64.904 143.548 1.00 20.49 O ATOM 223 CB ILE A 28 14.439 63.247 143.815 1.00 20.43 C ATOM 224 CG1 ILE A 28 15.296 61.983 143.705 1.00 24.74 C ATOM 225 CG2 ILE A 28 15.097 64.263 144.735 1.00 20.80 C ATOM 226 CD1 ILE A 28 16.629 62.247 143.032 1.00 27.37 C ATOM 227 H ILE A 28 12.362 62.256 142.358 1.00 0.00 H ATOM 228 N THR A 29 11.809 64.432 145.752 1.00 20.20 N ATOM 229 CA THR A 29 11.013 65.593 146.115 1.00 22.93 C ATOM 230 C THR A 29 11.928 66.754 146.495 1.00 20.70 C ATOM 231 O THR A 29 13.132 66.586 146.684 1.00 19.84 O ATOM 232 CB THR A 29 10.111 65.257 147.299 1.00 27.09 C ATOM 233 OG1 THR A 29 10.948 64.895 148.403 1.00 19.21 O ATOM 234 CG2 THR A 29 9.214 64.083 146.968 1.00 27.29 C ATOM 235 HG1 THR A 29 10.383 64.672 149.185 1.00 0.00 H ATOM 236 H THR A 29 12.089 63.772 146.505 1.00 0.00 H ATOM 237 N THR A 30 11.340 67.947 146.644 1.00 21.93 N ATOM 238 CA THR A 30 12.134 69.063 147.148 1.00 21.99 C ATOM 239 C THR A 30 12.683 68.763 148.533 1.00 25.99 C ATOM 240 O THR A 30 13.794 69.187 148.871 1.00 26.48 O ATOM 241 CB THR A 30 11.311 70.355 147.199 1.00 28.76 C ATOM 242 OG1 THR A 30 10.166 70.167 148.037 1.00 30.75 O ATOM 243 CG2 THR A 30 10.856 70.743 145.820 1.00 32.73 C ATOM 244 HG1 THR A 30 9.639 71.004 148.066 1.00 0.00 H ATOM 245 H THR A 30 10.336 68.076 146.405 1.00 0.00 H ATOM 246 N LYS A 31 11.920 68.035 149.350 1.00 25.05 N ATOM 247 CA LYS A 31 12.397 67.719 150.690 1.00 29.61 C ATOM 248 C LYS A 31 13.626 66.827 150.616 1.00 25.71 C ATOM 249 O LYS A 31 14.618 67.050 151.321 1.00 22.54 O ATOM 250 CB LYS A 31 11.279 67.059 151.498 1.00 39.75 C ATOM 251 CG LYS A 31 11.694 66.569 152.882 1.00 48.73 C ATOM 252 CD LYS A 31 10.584 65.723 153.505 1.00 57.26 C ATOM 253 CE LYS A 31 10.739 65.598 155.023 1.00 67.08 C ATOM 254 NZ LYS A 31 11.876 64.722 155.431 1.00 73.24 N ATOM 255 HZ1 LYS A 31 11.729 63.765 155.051 1.00 0.00 H ATOM 256 HZ2 LYS A 31 12.764 65.112 155.056 1.00 0.00 H ATOM 257 HZ3 LYS A 31 11.925 64.680 156.469 1.00 0.00 H ATOM 258 H LYS A 31 10.990 67.695 149.032 1.00 0.00 H ATOM 259 N GLU A 32 13.583 65.813 149.744 1.00 20.27 N ATOM 260 CA GLU A 32 14.727 64.923 149.597 1.00 19.29 C ATOM 261 C GLU A 32 15.914 65.653 148.994 1.00 25.15 C ATOM 262 O GLU A 32 17.058 65.444 149.419 1.00 18.82 O ATOM 263 CB GLU A 32 14.337 63.701 148.748 1.00 18.95 C ATOM 264 CG GLU A 32 13.458 62.712 149.536 1.00 20.41 C ATOM 265 CD GLU A 32 12.803 61.642 148.680 1.00 24.95 C ATOM 266 OE1 GLU A 32 12.485 61.914 147.500 1.00 23.18 O ATOM 267 OE2 GLU A 32 12.587 60.527 149.208 1.00 23.60 O ATOM 268 H GLU A 32 12.730 65.660 149.169 1.00 0.00 H ATOM 269 N LEU A 33 15.666 66.510 147.993 1.00 19.75 N ATOM 270 CA LEU A 33 16.760 67.278 147.413 1.00 16.17 C ATOM 271 C LEU A 33 17.362 68.236 148.437 1.00 20.72 C ATOM 272 O LEU A 33 18.584 68.423 148.481 1.00 22.63 O ATOM 273 CB LEU A 33 16.260 68.030 146.172 1.00 21.24 C ATOM 274 CG LEU A 33 17.264 68.797 145.313 1.00 24.47 C ATOM 275 CD1 LEU A 33 18.271 67.829 144.695 1.00 26.59 C ATOM 276 CD2 LEU A 33 16.520 69.581 144.232 1.00 26.99 C ATOM 277 H LEU A 33 14.697 66.626 147.632 1.00 0.00 H ATOM 278 N GLY A 34 16.529 68.857 149.275 1.00 20.20 N ATOM 279 CA GLY A 34 17.071 69.775 150.265 1.00 19.44 C ATOM 280 C GLY A 34 17.984 69.089 151.266 1.00 18.08 C ATOM 281 O GLY A 34 19.007 69.642 151.675 1.00 22.41 O ATOM 282 H GLY A 34 15.504 68.687 149.221 1.00 0.00 H ATOM 283 N THR A 35 17.620 67.881 151.681 1.00 20.98 N ATOM 284 CA THR A 35 18.485 67.133 152.591 1.00 22.27 C ATOM 285 C THR A 35 19.887 66.978 152.019 1.00 22.95 C ATOM 286 O THR A 35 20.889 67.222 152.704 1.00 22.84 O ATOM 287 CB THR A 35 17.844 65.782 152.871 1.00 24.01 C ATOM 288 OG1 THR A 35 16.538 66.014 153.416 1.00 24.15 O ATOM 289 CG2 THR A 35 18.682 64.977 153.852 1.00 29.62 C ATOM 290 HG1 THR A 35 15.994 66.522 152.763 1.00 0.00 H ATOM 291 H THR A 35 16.721 67.468 151.359 1.00 0.00 H ATOM 292 N VAL A 36 19.978 66.608 150.745 1.00 22.36 N ATOM 293 CA VAL A 36 21.279 66.435 150.110 1.00 22.64 C ATOM 294 C VAL A 36 22.017 67.761 150.009 1.00 18.90 C ATOM 295 O VAL A 36 23.206 67.851 150.332 1.00 25.89 O ATOM 296 CB VAL A 36 21.112 65.790 148.727 1.00 30.77 C ATOM 297 CG1 VAL A 36 22.439 65.795 147.998 1.00 32.13 C ATOM 298 CG2 VAL A 36 20.571 64.379 148.880 1.00 31.56 C ATOM 299 H VAL A 36 19.111 66.440 150.195 1.00 0.00 H ATOM 300 N MET A 37 21.339 68.801 149.507 1.00 20.09 N ATOM 301 CA MET A 37 21.997 70.096 149.356 1.00 17.68 C ATOM 302 C MET A 37 22.559 70.583 150.687 1.00 18.64 C ATOM 303 O MET A 37 23.649 71.163 150.734 1.00 22.61 O ATOM 304 CB MET A 37 21.019 71.130 148.790 1.00 20.44 C ATOM 305 CG MET A 37 20.455 70.784 147.400 1.00 27.81 C ATOM 306 SD MET A 37 21.759 70.487 146.200 1.00 40.63 S ATOM 307 CE MET A 37 22.475 72.120 146.117 1.00 41.71 C ATOM 308 H MET A 37 20.345 68.687 149.225 1.00 0.00 H ATOM 309 N ARG A 38 21.828 70.368 151.778 1.00 20.17 N ATOM 310 CA ARG A 38 22.300 70.882 153.063 1.00 18.39 C ATOM 311 C ARG A 38 23.443 70.037 153.617 1.00 23.83 C ATOM 312 O ARG A 38 24.323 70.564 154.310 1.00 28.47 O ATOM 313 CB ARG A 38 21.135 70.961 154.042 1.00 22.21 C ATOM 314 CG ARG A 38 20.180 72.124 153.746 1.00 23.12 C ATOM 315 CD ARG A 38 19.098 72.243 154.809 1.00 23.98 C ATOM 316 NE ARG A 38 18.167 71.121 154.783 1.00 24.51 N ATOM 317 CZ ARG A 38 17.053 71.097 154.066 1.00 22.79 C ATOM 318 NH1 ARG A 38 16.735 72.133 153.304 1.00 24.07 N ATOM 319 NH2 ARG A 38 16.259 70.042 154.116 1.00 29.09 N ATOM 320 HE ARG A 38 18.391 70.288 155.363 1.00 0.00 H ATOM 321 HH12 ARG A 38 15.861 72.115 152.741 1.00 0.00 H ATOM 322 HH11 ARG A 38 17.359 72.964 153.269 1.00 0.00 H ATOM 323 HH22 ARG A 38 15.384 70.022 153.554 1.00 0.00 H ATOM 324 HH21 ARG A 38 16.509 69.231 154.718 1.00 0.00 H ATOM 325 H ARG A 38 20.933 69.842 151.718 1.00 0.00 H ATOM 326 N SER A 39 23.476 68.739 153.291 1.00 23.91 N ATOM 327 CA SER A 39 24.621 67.929 153.695 1.00 26.64 C ATOM 328 C SER A 39 25.897 68.389 153.001 1.00 26.57 C ATOM 329 O SER A 39 26.998 68.143 153.503 1.00 38.87 O ATOM 330 CB SER A 39 24.359 66.450 153.388 1.00 27.03 C ATOM 331 OG SER A 39 24.374 66.232 151.993 1.00 34.46 O ATOM 332 HG SER A 39 23.670 66.782 151.567 1.00 0.00 H ATOM 333 H SER A 39 22.694 68.312 152.755 1.00 0.00 H ATOM 334 N LEU A 40 25.773 69.059 151.860 1.00 21.45 N ATOM 335 CA LEU A 40 26.918 69.595 151.143 1.00 27.57 C ATOM 336 C LEU A 40 27.150 71.075 151.440 1.00 31.31 C ATOM 337 O LEU A 40 27.836 71.755 150.670 1.00 31.79 O ATOM 338 CB LEU A 40 26.742 69.371 149.644 1.00 33.10 C ATOM 339 CG LEU A 40 26.625 67.880 149.310 1.00 40.39 C ATOM 340 CD1 LEU A 40 26.530 67.677 147.817 1.00 37.76 C ATOM 341 CD2 LEU A 40 27.813 67.127 149.883 1.00 38.90 C ATOM 342 H LEU A 40 24.822 69.205 151.466 1.00 0.00 H ATOM 343 N GLY A 41 26.569 71.589 152.520 1.00 28.45 N ATOM 344 CA GLY A 41 26.860 72.928 152.996 1.00 35.67 C ATOM 345 C GLY A 41 26.096 74.059 152.339 1.00 35.31 C ATOM 346 O GLY A 41 26.407 75.225 152.604 1.00 30.03 O ATOM 347 H GLY A 41 25.881 71.010 153.042 1.00 0.00 H ATOM 348 N GLN A 42 25.112 73.766 151.497 1.00 29.72 N ATOM 349 CA GLN A 42 24.286 74.804 150.901 1.00 28.50 C ATOM 350 C GLN A 42 23.027 75.012 151.736 1.00 33.56 C ATOM 351 O GLN A 42 22.677 74.185 152.581 1.00 26.04 O ATOM 352 CB GLN A 42 23.937 74.440 149.452 1.00 32.14 C ATOM 353 CG GLN A 42 25.157 73.991 148.632 1.00 38.61 C ATOM 354 CD GLN A 42 26.189 75.100 148.398 1.00 46.90 C ATOM 355 OE1 GLN A 42 26.579 75.819 149.314 1.00 54.72 O ATOM 356 NE2 GLN A 42 26.646 75.222 147.161 1.00 63.39 N ATOM 357 HE22 GLN A 42 26.291 74.594 146.411 1.00 0.00 H ATOM 358 HE21 GLN A 42 27.359 75.946 146.939 1.00 0.00 H ATOM 359 H GLN A 42 24.928 72.771 151.258 1.00 0.00 H ATOM 360 N ASN A 43 22.361 76.152 151.519 1.00 29.04 N ATOM 361 CA ASN A 43 21.132 76.489 152.244 1.00 26.31 C ATOM 362 C ASN A 43 20.053 76.995 151.285 1.00 23.61 C ATOM 363 O ASN A 43 19.542 78.113 151.431 1.00 23.79 O ATOM 364 CB ASN A 43 21.420 77.509 153.350 1.00 32.89 C ATOM 365 CG ASN A 43 21.996 78.822 152.821 1.00 47.72 C ATOM 366 OD1 ASN A 43 22.571 78.874 151.733 1.00 54.23 O ATOM 367 ND2 ASN A 43 21.844 79.892 153.602 1.00 52.65 N ATOM 368 HD22 ASN A 43 21.352 79.804 154.514 1.00 0.00 H ATOM 369 HD21 ASN A 43 22.218 80.814 153.299 1.00 0.00 H ATOM 370 H ASN A 43 22.727 76.821 150.812 1.00 0.00 H ATOM 371 N PRO A 44 19.652 76.176 150.309 1.00 25.40 N ATOM 372 CA PRO A 44 18.690 76.643 149.304 1.00 31.91 C ATOM 373 C PRO A 44 17.318 76.875 149.915 1.00 25.00 C ATOM 374 O PRO A 44 16.909 76.185 150.850 1.00 28.00 O ATOM 375 CB PRO A 44 18.651 75.489 148.297 1.00 27.73 C ATOM 376 CG PRO A 44 18.911 74.283 149.159 1.00 25.79 C ATOM 377 CD PRO A 44 19.951 74.739 150.143 1.00 29.23 C ATOM 378 N THR A 45 16.607 77.868 149.382 1.00 28.94 N ATOM 379 CA THR A 45 15.234 78.062 149.816 1.00 28.40 C ATOM 380 C THR A 45 14.323 77.018 149.182 1.00 29.89 C ATOM 381 O THR A 45 14.677 76.350 148.206 1.00 24.44 O ATOM 382 CB THR A 45 14.721 79.447 149.440 1.00 28.51 C ATOM 383 OG1 THR A 45 14.605 79.528 148.011 1.00 28.82 O ATOM 384 CG2 THR A 45 15.652 80.535 149.968 1.00 32.68 C ATOM 385 HG1 THR A 45 15.493 79.376 147.600 1.00 0.00 H ATOM 386 H THR A 45 17.028 78.494 148.667 1.00 0.00 H ATOM 387 N GLU A 46 13.115 76.901 149.736 1.00 26.89 N ATOM 388 CA GLU A 46 12.111 76.037 149.122 1.00 32.40 C ATOM 389 C GLU A 46 11.868 76.412 147.659 1.00 29.13 C ATOM 390 O GLU A 46 11.769 75.530 146.795 1.00 27.86 O ATOM 391 CB GLU A 46 10.812 76.099 149.927 1.00 43.83 C ATOM 392 CG GLU A 46 9.707 75.202 149.395 1.00 49.42 C ATOM 393 CD GLU A 46 10.106 73.739 149.364 1.00 63.33 C ATOM 394 OE1 GLU A 46 10.957 73.329 150.182 1.00 70.21 O ATOM 395 OE2 GLU A 46 9.568 72.995 148.516 1.00 69.52 O ATOM 396 H GLU A 46 12.889 77.425 150.605 1.00 0.00 H ATOM 397 N ALA A 47 11.788 77.719 147.361 1.00 23.39 N ATOM 398 CA ALA A 47 11.586 78.174 145.985 1.00 28.35 C ATOM 399 C ALA A 47 12.756 77.785 145.085 1.00 31.88 C ATOM 400 O ALA A 47 12.565 77.428 143.907 1.00 27.15 O ATOM 401 CB ALA A 47 11.380 79.696 145.966 1.00 33.77 C ATOM 402 H ALA A 47 11.871 78.422 148.123 1.00 0.00 H ATOM 403 N GLU A 48 13.975 77.861 145.615 1.00 26.38 N ATOM 404 CA GLU A 48 15.144 77.512 144.819 1.00 24.20 C ATOM 405 C GLU A 48 15.216 76.007 144.579 1.00 21.51 C ATOM 406 O GLU A 48 15.551 75.574 143.475 1.00 20.00 O ATOM 407 CB GLU A 48 16.412 78.034 145.495 1.00 23.76 C ATOM 408 CG GLU A 48 16.541 79.557 145.405 1.00 27.69 C ATOM 409 CD GLU A 48 17.545 80.146 146.393 1.00 38.48 C ATOM 410 OE1 GLU A 48 17.870 81.349 146.262 1.00 44.01 O ATOM 411 OE2 GLU A 48 18.007 79.420 147.300 1.00 37.71 O ATOM 412 H GLU A 48 14.093 78.171 146.601 1.00 0.00 H ATOM 413 N LEU A 49 14.872 75.196 145.582 1.00 21.02 N ATOM 414 CA LEU A 49 14.781 73.753 145.350 1.00 21.06 C ATOM 415 C LEU A 49 13.732 73.426 144.296 1.00 26.27 C ATOM 416 O LEU A 49 13.951 72.568 143.433 1.00 23.64 O ATOM 417 CB LEU A 49 14.463 73.033 146.652 1.00 18.72 C ATOM 418 CG LEU A 49 15.608 73.044 147.663 1.00 23.54 C ATOM 419 CD1 LEU A 49 15.102 72.651 149.044 1.00 24.45 C ATOM 420 CD2 LEU A 49 16.719 72.106 147.195 1.00 24.96 C ATOM 421 H LEU A 49 14.670 75.587 146.524 1.00 0.00 H ATOM 422 N GLN A 50 12.585 74.100 144.344 1.00 22.35 N ATOM 423 CA GLN A 50 11.555 73.845 143.347 1.00 24.48 C ATOM 424 C GLN A 50 12.024 74.253 141.952 1.00 28.02 C ATOM 425 O GLN A 50 11.726 73.568 140.967 1.00 24.38 O ATOM 426 CB GLN A 50 10.270 74.576 143.733 1.00 35.43 C ATOM 427 CG GLN A 50 9.065 74.122 142.930 1.00 50.67 C ATOM 428 CD GLN A 50 8.793 72.633 143.089 1.00 66.40 C ATOM 429 OE1 GLN A 50 8.518 72.157 144.190 1.00 79.58 O ATOM 430 NE2 GLN A 50 8.875 71.890 141.986 1.00 59.16 N ATOM 431 HE22 GLN A 50 9.110 72.335 141.076 1.00 0.00 H ATOM 432 HE21 GLN A 50 8.704 70.865 142.035 1.00 0.00 H ATOM 433 H GLN A 50 12.425 74.806 145.091 1.00 0.00 H ATOM 434 N ASP A 51 12.771 75.357 141.850 1.00 23.17 N ATOM 435 CA ASP A 51 13.321 75.758 140.557 1.00 27.40 C ATOM 436 C ASP A 51 14.306 74.727 140.021 1.00 26.35 C ATOM 437 O ASP A 51 14.334 74.467 138.813 1.00 26.57 O ATOM 438 CB ASP A 51 14.003 77.120 140.658 1.00 26.61 C ATOM 439 CG ASP A 51 13.013 78.252 140.822 1.00 58.81 C ATOM 440 OD1 ASP A 51 13.310 79.212 141.567 1.00 68.92 O ATOM 441 OD2 ASP A 51 11.923 78.172 140.216 1.00 70.38 O ATOM 442 H ASP A 51 12.962 75.933 142.695 1.00 0.00 H ATOM 443 N MET A 52 15.148 74.163 140.893 1.00 20.12 N ATOM 444 CA MET A 52 16.067 73.110 140.454 1.00 21.10 C ATOM 445 C MET A 52 15.308 71.947 139.845 1.00 26.22 C ATOM 446 O MET A 52 15.744 71.361 138.845 1.00 27.26 O ATOM 447 CB MET A 52 16.916 72.593 141.619 1.00 19.54 C ATOM 448 CG MET A 52 17.967 73.532 142.177 1.00 33.79 C ATOM 449 SD MET A 52 18.875 72.656 143.494 1.00 37.48 S ATOM 450 CE MET A 52 19.565 71.282 142.549 1.00 29.97 C ATOM 451 H MET A 52 15.151 74.473 141.886 1.00 0.00 H ATOM 452 N ILE A 53 14.193 71.564 140.461 1.00 22.01 N ATOM 453 CA ILE A 53 13.399 70.471 139.914 1.00 16.16 C ATOM 454 C ILE A 53 12.723 70.904 138.620 1.00 20.72 C ATOM 455 O ILE A 53 12.744 70.179 137.620 1.00 23.08 O ATOM 456 CB ILE A 53 12.369 69.984 140.941 1.00 22.00 C ATOM 457 CG1 ILE A 53 13.086 69.383 142.163 1.00 22.84 C ATOM 458 CG2 ILE A 53 11.408 69.014 140.282 1.00 23.41 C ATOM 459 CD1 ILE A 53 12.153 68.784 143.173 1.00 29.55 C ATOM 460 H ILE A 53 13.888 72.044 141.332 1.00 0.00 H ATOM 461 N ASN A 54 12.129 72.103 138.618 1.00 22.08 N ATOM 462 CA ASN A 54 11.402 72.555 137.432 1.00 25.40 C ATOM 463 C ASN A 54 12.299 72.603 136.203 1.00 26.14 C ATOM 464 O ASN A 54 11.813 72.435 135.078 1.00 26.69 O ATOM 465 CB ASN A 54 10.774 73.932 137.686 1.00 30.88 C ATOM 466 CG ASN A 54 9.693 73.897 138.751 1.00 44.76 C ATOM 467 OD1 ASN A 54 9.140 72.839 139.065 1.00 48.44 O ATOM 468 ND2 ASN A 54 9.383 75.062 139.314 1.00 46.43 N ATOM 469 HD22 ASN A 54 9.875 75.929 139.019 1.00 0.00 H ATOM 470 HD21 ASN A 54 8.649 75.105 140.049 1.00 0.00 H ATOM 471 H ASN A 54 12.184 72.713 139.459 1.00 0.00 H ATOM 472 N GLU A 55 13.604 72.829 136.388 1.00 24.27 N ATOM 473 CA GLU A 55 14.511 72.935 135.246 1.00 24.42 C ATOM 474 C GLU A 55 14.619 71.627 134.469 1.00 27.17 C ATOM 475 O GLU A 55 15.008 71.641 133.292 1.00 24.01 O ATOM 476 CB GLU A 55 15.902 73.367 135.707 1.00 23.08 C ATOM 477 CG GLU A 55 16.001 74.815 136.167 1.00 36.84 C ATOM 478 CD GLU A 55 17.407 75.185 136.624 1.00 49.42 C ATOM 479 OE1 GLU A 55 17.704 76.397 136.719 1.00 52.38 O ATOM 480 OE2 GLU A 55 18.215 74.266 136.886 1.00 43.45 O ATOM 481 H GLU A 55 13.977 72.930 137.353 1.00 0.00 H ATOM 482 N VAL A 56 14.316 70.498 135.108 1.00 24.25 N ATOM 483 CA VAL A 56 14.434 69.187 134.470 1.00 19.90 C ATOM 484 C VAL A 56 13.112 68.431 134.477 1.00 23.54 C ATOM 485 O VAL A 56 13.062 67.291 134.009 1.00 24.16 O ATOM 486 CB VAL A 56 15.540 68.345 135.127 1.00 19.19 C ATOM 487 CG1 VAL A 56 16.883 69.042 135.026 1.00 22.30 C ATOM 488 CG2 VAL A 56 15.186 68.010 136.589 1.00 20.48 C ATOM 489 H VAL A 56 13.985 70.550 136.092 1.00 0.00 H ATOM 490 N ASP A 57 12.040 69.048 134.968 1.00 23.29 N ATOM 491 CA ASP A 57 10.766 68.374 135.238 1.00 24.78 C ATOM 492 C ASP A 57 9.955 68.259 133.947 1.00 26.60 C ATOM 493 O ASP A 57 8.985 68.987 133.710 1.00 23.50 O ATOM 494 CB ASP A 57 10.006 69.139 136.318 1.00 24.30 C ATOM 495 CG ASP A 57 8.763 68.407 136.802 1.00 34.21 C ATOM 496 OD1 ASP A 57 8.658 67.170 136.599 1.00 26.30 O ATOM 497 OD2 ASP A 57 7.884 69.083 137.379 1.00 26.28 O ATOM 498 H ASP A 57 12.110 70.065 135.172 1.00 0.00 H ATOM 499 N ALA A 58 10.352 67.296 133.108 1.00 21.50 N ATOM 500 CA ALA A 58 9.749 67.165 131.782 1.00 26.66 C ATOM 501 C ALA A 58 8.249 66.904 131.859 1.00 33.09 C ATOM 502 O ALA A 58 7.481 67.447 131.056 1.00 29.21 O ATOM 503 CB ALA A 58 10.436 66.051 130.994 1.00 21.30 C ATOM 504 H ALA A 58 11.098 66.633 133.402 1.00 0.00 H ATOM 505 N ASP A 59 7.807 66.068 132.799 1.00 26.77 N ATOM 506 CA ASP A 59 6.388 65.733 132.861 1.00 27.23 C ATOM 507 C ASP A 59 5.586 66.693 133.732 1.00 29.92 C ATOM 508 O ASP A 59 4.353 66.605 133.756 1.00 33.28 O ATOM 509 CB ASP A 59 6.189 64.278 133.327 1.00 29.46 C ATOM 510 CG ASP A 59 6.636 64.039 134.758 1.00 37.96 C ATOM 511 OD1 ASP A 59 7.118 64.985 135.406 1.00 31.97 O ATOM 512 OD2 ASP A 59 6.498 62.888 135.237 1.00 37.81 O ATOM 513 H ASP A 59 8.471 65.656 133.485 1.00 0.00 H ATOM 514 N GLY A 60 6.248 67.607 134.438 1.00 32.06 N ATOM 515 CA GLY A 60 5.538 68.647 135.155 1.00 33.78 C ATOM 516 C GLY A 60 4.871 68.224 136.445 1.00 36.53 C ATOM 517 O GLY A 60 4.014 68.954 136.950 1.00 33.99 O ATOM 518 H GLY A 60 7.287 67.574 134.475 1.00 0.00 H ATOM 519 N ASN A 61 5.242 67.080 137.016 1.00 26.21 N ATOM 520 CA ASN A 61 4.603 66.647 138.254 1.00 29.07 C ATOM 521 C ASN A 61 5.297 67.176 139.504 1.00 29.86 C ATOM 522 O ASN A 61 4.865 66.855 140.616 1.00 29.36 O ATOM 523 CB ASN A 61 4.502 65.116 138.305 1.00 29.53 C ATOM 524 CG ASN A 61 5.845 64.425 138.472 1.00 29.29 C ATOM 525 OD1 ASN A 61 6.911 65.032 138.352 1.00 24.42 O ATOM 526 ND2 ASN A 61 5.790 63.128 138.736 1.00 31.35 N ATOM 527 HD22 ASN A 61 4.869 62.655 138.829 1.00 0.00 H ATOM 528 HD21 ASN A 61 6.668 62.583 138.850 1.00 0.00 H ATOM 529 H ASN A 61 5.985 66.497 136.581 1.00 0.00 H ATOM 530 N GLY A 62 6.357 67.970 139.351 1.00 28.44 N ATOM 531 CA GLY A 62 6.994 68.637 140.472 1.00 23.52 C ATOM 532 C GLY A 62 8.005 67.810 141.236 1.00 24.93 C ATOM 533 O GLY A 62 8.501 68.273 142.270 1.00 24.94 O ATOM 534 H GLY A 62 6.741 68.117 138.396 1.00 0.00 H ATOM 535 N THR A 63 8.317 66.596 140.778 1.00 21.73 N ATOM 536 CA THR A 63 9.354 65.762 141.374 1.00 24.61 C ATOM 537 C THR A 63 10.245 65.229 140.259 1.00 23.23 C ATOM 538 O THR A 63 9.891 65.295 139.082 1.00 22.02 O ATOM 539 CB THR A 63 8.750 64.602 142.177 1.00 26.46 C ATOM 540 OG1 THR A 63 7.930 63.803 141.315 1.00 30.44 O ATOM 541 CG2 THR A 63 7.903 65.136 143.332 1.00 31.90 C ATOM 542 HG1 THR A 63 8.482 63.443 140.577 1.00 0.00 H ATOM 543 H THR A 63 7.796 66.227 139.957 1.00 0.00 H ATOM 544 N ILE A 64 11.403 64.688 140.628 1.00 19.25 N ATOM 545 CA ILE A 64 12.390 64.200 139.663 1.00 17.43 C ATOM 546 C ILE A 64 12.333 62.674 139.624 1.00 21.00 C ATOM 547 O ILE A 64 12.623 62.020 140.632 1.00 20.42 O ATOM 548 CB ILE A 64 13.809 64.660 140.033 1.00 17.05 C ATOM 549 CG1 ILE A 64 13.882 66.179 140.189 1.00 22.77 C ATOM 550 CG2 ILE A 64 14.819 64.220 138.973 1.00 20.96 C ATOM 551 CD1 ILE A 64 15.255 66.632 140.600 1.00 26.68 C ATOM 552 H ILE A 64 11.616 64.609 141.643 1.00 0.00 H ATOM 553 N ASP A 65 12.021 62.092 138.461 1.00 23.26 N ATOM 554 CA ASP A 65 12.185 60.653 138.286 1.00 23.56 C ATOM 555 C ASP A 65 13.548 60.380 137.648 1.00 21.79 C ATOM 556 O ASP A 65 14.286 61.303 137.310 1.00 18.68 O ATOM 557 CB ASP A 65 11.018 60.052 137.487 1.00 29.33 C ATOM 558 CG ASP A 65 10.837 60.675 136.111 1.00 38.30 C ATOM 559 OD1 ASP A 65 11.813 61.182 135.520 1.00 36.29 O ATOM 560 OD2 ASP A 65 9.694 60.640 135.610 1.00 41.63 O ATOM 561 H ASP A 65 11.659 62.670 137.676 1.00 0.00 H ATOM 562 N PHE A 66 13.906 59.098 137.486 1.00 18.81 N ATOM 563 CA PHE A 66 15.265 58.815 137.024 1.00 19.44 C ATOM 564 C PHE A 66 15.563 59.385 135.639 1.00 19.18 C ATOM 565 O PHE A 66 16.675 59.914 135.456 1.00 17.82 O ATOM 566 CB PHE A 66 15.578 57.309 137.058 1.00 22.07 C ATOM 567 CG PHE A 66 17.027 57.006 136.768 1.00 20.92 C ATOM 568 CD1 PHE A 66 18.028 57.515 137.589 1.00 22.43 C ATOM 569 CD2 PHE A 66 17.395 56.247 135.666 1.00 21.96 C ATOM 570 CE1 PHE A 66 19.364 57.267 137.319 1.00 23.92 C ATOM 571 CE2 PHE A 66 18.723 55.998 135.387 1.00 18.86 C ATOM 572 CZ PHE A 66 19.711 56.506 136.218 1.00 23.46 C ATOM 573 H PHE A 66 13.237 58.327 137.683 1.00 0.00 H ATOM 574 N PRO A 67 14.675 59.320 134.642 1.00 16.52 N ATOM 575 CA PRO A 67 15.017 59.935 133.349 1.00 20.07 C ATOM 576 C PRO A 67 15.300 61.419 133.461 1.00 22.18 C ATOM 577 O PRO A 67 16.193 61.924 132.774 1.00 19.96 O ATOM 578 CB PRO A 67 13.776 59.659 132.488 1.00 20.43 C ATOM 579 CG PRO A 67 13.192 58.448 133.064 1.00 26.84 C ATOM 580 CD PRO A 67 13.402 58.582 134.554 1.00 20.14 C ATOM 581 N GLU A 68 14.586 62.127 134.342 1.00 18.33 N ATOM 582 CA GLU A 68 14.840 63.555 134.502 1.00 17.53 C ATOM 583 C GLU A 68 16.107 63.810 135.299 1.00 20.60 C ATOM 584 O GLU A 68 16.775 64.834 135.105 1.00 19.76 O ATOM 585 CB GLU A 68 13.649 64.202 135.181 1.00 20.40 C ATOM 586 CG GLU A 68 12.353 64.006 134.425 1.00 20.34 C ATOM 587 CD GLU A 68 11.153 64.364 135.274 1.00 33.51 C ATOM 588 OE1 GLU A 68 10.102 64.691 134.691 1.00 22.54 O ATOM 589 OE2 GLU A 68 11.274 64.317 136.530 1.00 23.94 O ATOM 590 H GLU A 68 13.851 61.661 134.912 1.00 0.00 H ATOM 591 N PHE A 69 16.433 62.904 136.221 1.00 18.60 N ATOM 592 CA PHE A 69 17.689 62.992 136.951 1.00 14.34 C ATOM 593 C PHE A 69 18.879 62.866 136.012 1.00 20.70 C ATOM 594 O PHE A 69 19.927 63.475 136.254 1.00 22.92 O ATOM 595 CB PHE A 69 17.707 61.895 138.024 1.00 16.11 C ATOM 596 CG PHE A 69 18.863 61.976 138.975 1.00 17.86 C ATOM 597 CD1 PHE A 69 18.920 62.972 139.943 1.00 24.22 C ATOM 598 CD2 PHE A 69 19.867 61.026 138.936 1.00 19.68 C ATOM 599 CE1 PHE A 69 19.974 63.018 140.850 1.00 27.69 C ATOM 600 CE2 PHE A 69 20.920 61.063 139.839 1.00 25.60 C ATOM 601 CZ PHE A 69 20.972 62.067 140.801 1.00 23.16 C ATOM 602 H PHE A 69 15.779 62.121 136.422 1.00 0.00 H ATOM 603 N LEU A 70 18.747 62.074 134.942 1.00 18.03 N ATOM 604 CA LEU A 70 19.817 62.001 133.953 1.00 18.71 C ATOM 605 C LEU A 70 20.033 63.354 133.290 1.00 20.24 C ATOM 606 O LEU A 70 21.175 63.759 133.049 1.00 26.88 O ATOM 607 CB LEU A 70 19.505 60.936 132.907 1.00 17.09 C ATOM 608 CG LEU A 70 19.620 59.482 133.377 1.00 18.44 C ATOM 609 CD1 LEU A 70 19.232 58.541 132.252 1.00 24.89 C ATOM 610 CD2 LEU A 70 21.029 59.193 133.842 1.00 22.81 C ATOM 611 H LEU A 70 17.882 61.511 134.815 1.00 0.00 H ATOM 612 N THR A 71 18.947 64.071 133.000 1.00 20.78 N ATOM 613 CA THR A 71 19.077 65.451 132.533 1.00 18.24 C ATOM 614 C THR A 71 19.824 66.297 133.556 1.00 20.22 C ATOM 615 O THR A 71 20.754 67.041 133.215 1.00 22.52 O ATOM 616 CB THR A 71 17.697 66.048 132.259 1.00 22.37 C ATOM 617 OG1 THR A 71 16.960 65.187 131.381 1.00 22.00 O ATOM 618 CG2 THR A 71 17.817 67.453 131.625 1.00 20.03 C ATOM 619 HG1 THR A 71 16.068 65.580 131.208 1.00 0.00 H ATOM 620 H THR A 71 18.003 63.647 133.106 1.00 0.00 H ATOM 621 N MET A 72 19.425 66.201 134.822 1.00 18.69 N ATOM 622 CA MET A 72 20.094 66.977 135.861 1.00 18.19 C ATOM 623 C MET A 72 21.570 66.616 135.955 1.00 24.53 C ATOM 624 O MET A 72 22.427 67.499 136.068 1.00 23.34 O ATOM 625 CB MET A 72 19.406 66.751 137.204 1.00 18.39 C ATOM 626 CG MET A 72 19.876 67.704 138.298 1.00 21.39 C ATOM 627 SD MET A 72 19.005 67.398 139.863 1.00 31.94 S ATOM 628 CE MET A 72 20.201 66.481 140.798 1.00 48.86 C ATOM 629 H MET A 72 18.635 65.572 135.071 1.00 0.00 H ATOM 630 N MET A 73 21.888 65.318 135.908 1.00 25.92 N ATOM 631 CA MET A 73 23.280 64.887 136.014 1.00 29.85 C ATOM 632 C MET A 73 24.098 65.286 134.791 1.00 31.62 C ATOM 633 O MET A 73 25.311 65.501 134.904 1.00 31.41 O ATOM 634 CB MET A 73 23.343 63.374 136.228 1.00 34.04 C ATOM 635 CG MET A 73 22.826 62.941 137.577 1.00 25.21 C ATOM 636 SD MET A 73 23.892 63.561 138.901 1.00 28.80 S ATOM 637 CE MET A 73 22.950 64.935 139.548 1.00 21.98 C ATOM 638 H MET A 73 21.137 64.608 135.795 1.00 0.00 H ATOM 639 N ALA A 74 23.467 65.378 133.622 1.00 24.96 N ATOM 640 CA ALA A 74 24.151 65.934 132.463 1.00 29.12 C ATOM 641 C ALA A 74 24.261 67.454 132.540 1.00 28.89 C ATOM 642 O ALA A 74 24.856 68.065 131.645 1.00 33.25 O ATOM 643 CB ALA A 74 23.426 65.533 131.178 1.00 29.83 C ATOM 644 H ALA A 74 22.483 65.052 133.537 1.00 0.00 H ATOM 645 N ARG A 75 23.711 68.064 133.595 1.00 25.24 N ATOM 646 CA ARG A 75 23.731 69.511 133.800 1.00 33.80 C ATOM 647 C ARG A 75 23.070 70.246 132.637 1.00 35.41 C ATOM 648 O ARG A 75 23.554 71.285 132.183 1.00 38.06 O ATOM 649 CB ARG A 75 25.159 70.007 134.045 1.00 41.04 C ATOM 650 CG ARG A 75 25.725 69.586 135.406 1.00 42.88 C ATOM 651 CD ARG A 75 27.101 68.956 135.280 1.00 49.83 C ATOM 652 NE ARG A 75 27.945 69.720 134.374 1.00 61.91 N ATOM 653 CZ ARG A 75 28.383 69.276 133.201 1.00 63.30 C ATOM 654 NH1 ARG A 75 29.137 70.055 132.437 1.00 72.93 N ATOM 655 NH2 ARG A 75 28.084 68.051 132.794 1.00 63.53 N ATOM 656 HE ARG A 75 28.224 70.679 134.664 1.00 0.00 H ATOM 657 HH12 ARG A 75 29.480 69.708 131.519 1.00 0.00 H ATOM 658 HH11 ARG A 75 29.385 71.013 132.756 1.00 0.00 H ATOM 659 HH22 ARG A 75 28.430 67.710 131.875 1.00 0.00 H ATOM 660 HH21 ARG A 75 27.503 67.431 133.394 1.00 0.00 H ATOM 661 H ARG A 75 23.242 67.474 134.312 1.00 0.00 H ATOM 662 N LYS A 76 21.944 69.707 132.169 1.00 30.59 N ATOM 663 CA LYS A 76 21.184 70.273 131.065 1.00 29.51 C ATOM 664 C LYS A 76 19.811 70.725 131.537 1.00 27.95 C ATOM 665 O LYS A 76 19.318 70.313 132.588 1.00 29.79 O ATOM 666 CB LYS A 76 21.001 69.261 129.930 1.00 33.57 C ATOM 667 CG LYS A 76 22.265 68.523 129.535 1.00 47.30 C ATOM 668 CD LYS A 76 22.481 68.540 128.030 1.00 55.54 C ATOM 669 CE LYS A 76 23.518 69.591 127.639 1.00 64.86 C ATOM 670 NZ LYS A 76 23.231 70.929 128.247 1.00 61.34 N ATOM 671 HZ1 LYS A 76 22.299 71.261 127.927 1.00 0.00 H ATOM 672 HZ2 LYS A 76 23.233 70.845 129.284 1.00 0.00 H ATOM 673 HZ3 LYS A 76 23.962 71.607 127.952 1.00 0.00 H ATOM 674 H LYS A 76 21.591 68.837 132.616 1.00 0.00 H ATOM 675 N MET A 77 19.195 71.575 130.727 1.00 25.23 N ATOM 676 CA MET A 77 17.817 71.995 130.903 1.00 23.93 C ATOM 677 C MET A 77 16.895 71.067 130.119 1.00 23.89 C ATOM 678 O MET A 77 17.297 70.449 129.129 1.00 24.86 O ATOM 679 CB MET A 77 17.639 73.443 130.435 1.00 31.78 C ATOM 680 CG MET A 77 18.603 74.411 131.088 1.00 41.22 C ATOM 681 SD MET A 77 18.110 74.715 132.788 1.00 43.15 S ATOM 682 CE MET A 77 16.502 75.453 132.518 1.00 47.91 C ATOM 683 H MET A 77 19.728 71.962 129.922 1.00 0.00 H ATOM 684 N LYS A 78 15.640 70.971 130.573 1.00 20.77 N ATOM 685 CA LYS A 78 14.719 70.018 129.955 1.00 20.59 C ATOM 686 C LYS A 78 14.430 70.343 128.492 1.00 25.57 C ATOM 687 O LYS A 78 14.088 69.437 127.724 1.00 21.82 O ATOM 688 CB LYS A 78 13.403 69.958 130.731 1.00 18.25 C ATOM 689 CG LYS A 78 12.640 71.272 130.854 1.00 20.63 C ATOM 690 CD LYS A 78 11.402 71.026 131.713 1.00 35.14 C ATOM 691 CE LYS A 78 10.328 72.071 131.536 1.00 45.87 C ATOM 692 NZ LYS A 78 10.547 73.222 132.433 1.00 39.39 N ATOM 693 HZ1 LYS A 78 10.534 72.897 133.421 1.00 0.00 H ATOM 694 HZ2 LYS A 78 11.469 73.655 132.221 1.00 0.00 H ATOM 695 HZ3 LYS A 78 9.792 73.922 132.287 1.00 0.00 H ATOM 696 H LYS A 78 15.321 71.571 131.361 1.00 0.00 H ATOM 697 N ASP A 79 14.540 71.612 128.098 1.00 29.16 N ATOM 698 CA ASP A 79 14.351 71.970 126.694 1.00 30.96 C ATOM 699 C ASP A 79 15.482 71.436 125.834 1.00 27.71 C ATOM 700 O ASP A 79 15.247 70.929 124.732 1.00 27.12 O ATOM 701 CB ASP A 79 14.253 73.489 126.545 1.00 40.04 C ATOM 702 CG ASP A 79 12.861 74.010 126.801 1.00 56.58 C ATOM 703 OD1 ASP A 79 11.956 73.181 127.038 1.00 52.12 O ATOM 704 OD2 ASP A 79 12.674 75.246 126.762 1.00 57.87 O ATOM 705 H ASP A 79 14.762 72.352 128.794 1.00 0.00 H ATOM 706 N THR A 80 16.722 71.562 126.305 1.00 28.40 N ATOM 707 CA THR A 80 17.840 70.974 125.577 1.00 24.30 C ATOM 708 C THR A 80 17.653 69.474 125.446 1.00 28.80 C ATOM 709 O THR A 80 17.823 68.901 124.363 1.00 26.77 O ATOM 710 CB THR A 80 19.152 71.292 126.287 1.00 29.95 C ATOM 711 OG1 THR A 80 19.288 72.715 126.407 1.00 29.72 O ATOM 712 CG2 THR A 80 20.337 70.733 125.519 1.00 32.55 C ATOM 713 HG1 THR A 80 20.139 72.926 126.867 1.00 0.00 H ATOM 714 H THR A 80 16.892 72.079 127.191 1.00 0.00 H ATOM 715 N ASP A 81 17.264 68.829 126.550 1.00 23.25 N ATOM 716 CA ASP A 81 17.117 67.378 126.568 1.00 22.24 C ATOM 717 C ASP A 81 15.980 66.919 125.659 1.00 21.89 C ATOM 718 O ASP A 81 16.107 65.910 124.954 1.00 26.20 O ATOM 719 CB ASP A 81 16.898 66.918 128.019 1.00 17.11 C ATOM 720 CG ASP A 81 16.634 65.421 128.135 1.00 21.91 C ATOM 721 OD1 ASP A 81 17.581 64.622 127.989 1.00 23.29 O ATOM 722 OD2 ASP A 81 15.474 65.055 128.391 1.00 19.33 O ATOM 723 H ASP A 81 17.062 69.372 127.413 1.00 0.00 H ATOM 724 N SER A 82 14.864 67.649 125.647 1.00 25.00 N ATOM 725 CA SER A 82 13.746 67.257 124.798 1.00 25.29 C ATOM 726 C SER A 82 14.090 67.423 123.323 1.00 25.68 C ATOM 727 O SER A 82 13.739 66.572 122.498 1.00 22.80 O ATOM 728 CB SER A 82 12.506 68.074 125.154 1.00 26.29 C ATOM 729 OG SER A 82 12.717 69.443 124.881 1.00 33.36 O ATOM 730 HG SER A 82 13.482 69.771 125.417 1.00 0.00 H ATOM 731 H SER A 82 14.791 68.498 126.243 1.00 0.00 H ATOM 732 N GLU A 83 14.785 68.507 122.974 1.00 24.21 N ATOM 733 CA GLU A 83 15.216 68.691 121.593 1.00 35.26 C ATOM 734 C GLU A 83 16.118 67.546 121.141 1.00 29.85 C ATOM 735 O GLU A 83 16.031 67.090 119.992 1.00 25.23 O ATOM 736 CB GLU A 83 15.930 70.041 121.443 1.00 37.43 C ATOM 737 CG GLU A 83 15.035 71.268 121.582 1.00 47.87 C ATOM 738 CD GLU A 83 15.827 72.552 121.856 1.00 61.59 C ATOM 739 OE1 GLU A 83 15.237 73.532 122.376 1.00 54.05 O ATOM 740 OE2 GLU A 83 17.043 72.579 121.553 1.00 66.53 O ATOM 741 H GLU A 83 15.020 69.224 123.690 1.00 0.00 H ATOM 742 N GLU A 84 17.004 67.078 122.022 1.00 24.91 N ATOM 743 CA GLU A 84 17.885 65.968 121.667 1.00 31.50 C ATOM 744 C GLU A 84 17.097 64.688 121.412 1.00 27.53 C ATOM 745 O GLU A 84 17.442 63.905 120.519 1.00 23.07 O ATOM 746 CB GLU A 84 18.918 65.734 122.773 1.00 36.15 C ATOM 747 CG GLU A 84 19.841 66.923 123.026 1.00 52.16 C ATOM 748 CD GLU A 84 20.778 66.707 124.208 1.00 59.23 C ATOM 749 OE1 GLU A 84 20.677 65.652 124.874 1.00 58.26 O ATOM 750 OE2 GLU A 84 21.619 67.593 124.469 1.00 65.13 O ATOM 751 H GLU A 84 17.068 67.506 122.968 1.00 0.00 H ATOM 752 N GLU A 85 16.038 64.452 122.196 1.00 22.08 N ATOM 753 CA GLU A 85 15.244 63.241 122.006 1.00 21.68 C ATOM 754 C GLU A 85 14.374 63.332 120.752 1.00 21.18 C ATOM 755 O GLU A 85 14.164 62.324 120.058 1.00 22.24 O ATOM 756 CB GLU A 85 14.419 62.970 123.271 1.00 20.79 C ATOM 757 CG GLU A 85 15.309 62.440 124.375 1.00 21.96 C ATOM 758 CD GLU A 85 14.785 62.660 125.789 1.00 25.06 C ATOM 759 OE1 GLU A 85 15.482 62.206 126.708 1.00 20.08 O ATOM 760 OE2 GLU A 85 13.720 63.289 125.978 1.00 25.15 O ATOM 761 H GLU A 85 15.781 65.131 122.940 1.00 0.00 H ATOM 762 N ILE A 86 13.870 64.525 120.432 1.00 21.55 N ATOM 763 CA ILE A 86 13.106 64.693 119.197 1.00 23.11 C ATOM 764 C ILE A 86 13.998 64.457 117.989 1.00 24.55 C ATOM 765 O ILE A 86 13.569 63.872 116.981 1.00 20.23 O ATOM 766 CB ILE A 86 12.465 66.092 119.144 1.00 22.93 C ATOM 767 CG1 ILE A 86 11.417 66.241 120.248 1.00 25.96 C ATOM 768 CG2 ILE A 86 11.864 66.348 117.743 1.00 27.94 C ATOM 769 CD1 ILE A 86 11.009 67.672 120.502 1.00 31.59 C ATOM 770 H ILE A 86 14.021 65.338 121.063 1.00 0.00 H ATOM 771 N ARG A 87 15.249 64.918 118.063 1.00 24.00 N ATOM 772 CA ARG A 87 16.167 64.703 116.950 1.00 24.56 C ATOM 773 C ARG A 87 16.552 63.234 116.809 1.00 24.17 C ATOM 774 O ARG A 87 16.775 62.759 115.687 1.00 21.27 O ATOM 775 CB ARG A 87 17.415 65.570 117.119 1.00 24.51 C ATOM 776 CG ARG A 87 18.362 65.485 115.926 1.00 39.40 C ATOM 777 CD ARG A 87 19.360 66.629 115.897 1.00 51.85 C ATOM 778 NE ARG A 87 18.718 67.930 115.736 1.00 46.57 N ATOM 779 CZ ARG A 87 18.487 68.522 114.567 1.00 53.60 C ATOM 780 NH1 ARG A 87 18.833 67.933 113.424 1.00 47.87 N ATOM 781 NH2 ARG A 87 17.900 69.708 114.544 1.00 47.39 N ATOM 782 HE ARG A 87 18.420 68.430 116.597 1.00 0.00 H ATOM 783 HH12 ARG A 87 18.646 68.407 112.517 1.00 0.00 H ATOM 784 HH11 ARG A 87 19.290 66.999 113.438 1.00 0.00 H ATOM 785 HH22 ARG A 87 17.715 70.179 113.635 1.00 0.00 H ATOM 786 HH21 ARG A 87 17.624 70.169 115.434 1.00 0.00 H ATOM 787 H ARG A 87 15.568 65.429 118.911 1.00 0.00 H ATOM 788 N GLU A 88 16.629 62.490 117.918 1.00 17.56 N ATOM 789 CA GLU A 88 16.841 61.048 117.809 1.00 18.73 C ATOM 790 C GLU A 88 15.692 60.369 117.077 1.00 21.45 C ATOM 791 O GLU A 88 15.915 59.488 116.238 1.00 25.24 O ATOM 792 CB GLU A 88 17.009 60.424 119.199 1.00 22.59 C ATOM 793 CG GLU A 88 18.342 60.676 119.855 1.00 45.11 C ATOM 794 CD GLU A 88 18.438 60.049 121.243 1.00 57.47 C ATOM 795 OE1 GLU A 88 17.528 59.281 121.625 1.00 56.66 O ATOM 796 OE2 GLU A 88 19.428 60.329 121.950 1.00 63.06 O ATOM 797 H GLU A 88 16.538 62.936 118.853 1.00 0.00 H ATOM 798 N ALA A 89 14.455 60.753 117.391 1.00 16.45 N ATOM 799 CA ALA A 89 13.303 60.203 116.682 1.00 18.73 C ATOM 800 C ALA A 89 13.303 60.614 115.215 1.00 21.13 C ATOM 801 O ALA A 89 12.915 59.829 114.341 1.00 22.96 O ATOM 802 CB ALA A 89 12.011 60.668 117.349 1.00 26.83 C ATOM 803 H ALA A 89 14.309 61.451 118.148 1.00 0.00 H ATOM 804 N PHE A 90 13.700 61.855 114.932 1.00 20.63 N ATOM 805 CA PHE A 90 13.749 62.327 113.551 1.00 24.62 C ATOM 806 C PHE A 90 14.707 61.477 112.716 1.00 25.64 C ATOM 807 O PHE A 90 14.398 61.111 111.573 1.00 24.44 O ATOM 808 CB PHE A 90 14.145 63.805 113.550 1.00 24.59 C ATOM 809 CG PHE A 90 14.292 64.408 112.176 1.00 24.35 C ATOM 810 CD1 PHE A 90 13.189 64.918 111.509 1.00 20.04 C ATOM 811 CD2 PHE A 90 15.541 64.519 111.590 1.00 23.31 C ATOM 812 CE1 PHE A 90 13.330 65.512 110.243 1.00 26.32 C ATOM 813 CE2 PHE A 90 15.691 65.095 110.330 1.00 27.19 C ATOM 814 CZ PHE A 90 14.582 65.586 109.655 1.00 22.95 C ATOM 815 H PHE A 90 13.978 62.494 115.704 1.00 0.00 H ATOM 816 N ARG A 91 15.854 61.111 113.289 1.00 20.24 N ATOM 817 CA ARG A 91 16.855 60.369 112.541 1.00 23.74 C ATOM 818 C ARG A 91 16.420 58.942 112.255 1.00 21.62 C ATOM 819 O ARG A 91 16.969 58.321 111.344 1.00 25.94 O ATOM 820 CB ARG A 91 18.184 60.347 113.290 1.00 30.07 C ATOM 821 CG ARG A 91 18.808 61.704 113.528 1.00 29.29 C ATOM 822 CD ARG A 91 20.238 61.533 114.013 1.00 43.13 C ATOM 823 NE ARG A 91 20.829 62.783 114.481 1.00 57.06 N ATOM 824 CZ ARG A 91 21.030 63.083 115.761 1.00 58.20 C ATOM 825 NH1 ARG A 91 20.690 62.220 116.712 1.00 50.44 N ATOM 826 NH2 ARG A 91 21.581 64.244 116.086 1.00 60.68 N ATOM 827 HE ARG A 91 21.111 63.485 113.767 1.00 0.00 H ATOM 828 HH12 ARG A 91 20.849 62.459 117.712 1.00 0.00 H ATOM 829 HH11 ARG A 91 20.265 61.306 116.457 1.00 0.00 H ATOM 830 HH22 ARG A 91 21.740 64.482 117.086 1.00 0.00 H ATOM 831 HH21 ARG A 91 21.854 64.916 115.341 1.00 0.00 H ATOM 832 H ARG A 91 16.034 61.359 114.283 1.00 0.00 H ATOM 833 N VAL A 92 15.462 58.408 113.018 1.00 22.59 N ATOM 834 CA VAL A 92 14.929 57.088 112.696 1.00 23.81 C ATOM 835 C VAL A 92 14.267 57.112 111.328 1.00 27.74 C ATOM 836 O VAL A 92 14.425 56.188 110.522 1.00 27.76 O ATOM 837 CB VAL A 92 13.943 56.623 113.783 1.00 22.41 C ATOM 838 CG1 VAL A 92 13.296 55.294 113.376 1.00 28.19 C ATOM 839 CG2 VAL A 92 14.649 56.504 115.135 1.00 25.94 C ATOM 840 H VAL A 92 15.097 58.932 113.839 1.00 0.00 H ATOM 841 N PHE A 93 13.515 58.170 111.044 1.00 24.42 N ATOM 842 CA PHE A 93 12.821 58.257 109.769 1.00 21.48 C ATOM 843 C PHE A 93 13.726 58.753 108.650 1.00 20.03 C ATOM 844 O PHE A 93 13.528 58.374 107.487 1.00 22.79 O ATOM 845 CB PHE A 93 11.606 59.170 109.899 1.00 24.46 C ATOM 846 CG PHE A 93 10.543 58.619 110.800 1.00 29.30 C ATOM 847 CD1 PHE A 93 9.654 57.661 110.333 1.00 25.01 C ATOM 848 CD2 PHE A 93 10.446 59.042 112.125 1.00 33.20 C ATOM 849 CE1 PHE A 93 8.676 57.139 111.151 1.00 25.75 C ATOM 850 CE2 PHE A 93 9.468 58.523 112.953 1.00 35.45 C ATOM 851 CZ PHE A 93 8.577 57.567 112.469 1.00 31.64 C ATOM 852 H PHE A 93 13.422 58.940 111.737 1.00 0.00 H ATOM 853 N ASP A 94 14.719 59.585 108.962 1.00 17.73 N ATOM 854 CA ASP A 94 15.553 60.206 107.926 1.00 20.15 C ATOM 855 C ASP A 94 16.665 59.223 107.562 1.00 25.44 C ATOM 856 O ASP A 94 17.843 59.410 107.879 1.00 23.38 O ATOM 857 CB ASP A 94 16.114 61.544 108.401 1.00 22.35 C ATOM 858 CG ASP A 94 17.003 62.204 107.361 1.00 23.31 C ATOM 859 OD1 ASP A 94 16.868 61.855 106.165 1.00 22.34 O ATOM 860 OD2 ASP A 94 17.844 63.051 107.730 1.00 25.21 O ATOM 861 H ASP A 94 14.907 59.799 109.962 1.00 0.00 H ATOM 862 N LYS A 95 16.273 58.163 106.846 1.00 19.94 N ATOM 863 CA LYS A 95 17.190 57.044 106.626 1.00 25.04 C ATOM 864 C LYS A 95 18.447 57.467 105.874 1.00 21.75 C ATOM 865 O LYS A 95 19.550 57.019 106.205 1.00 27.17 O ATOM 866 CB LYS A 95 16.490 55.910 105.871 1.00 25.72 C ATOM 867 CG LYS A 95 17.406 54.685 105.641 1.00 26.83 C ATOM 868 CD LYS A 95 16.661 53.486 105.057 1.00 15.35 C ATOM 869 CE LYS A 95 17.543 52.237 105.047 1.00 25.32 C ATOM 870 NZ LYS A 95 16.832 51.029 104.505 1.00 19.23 N ATOM 871 HZ1 LYS A 95 15.998 50.826 105.093 1.00 0.00 H ATOM 872 HZ2 LYS A 95 16.531 51.215 103.527 1.00 0.00 H ATOM 873 HZ3 LYS A 95 17.476 50.213 104.522 1.00 0.00 H ATOM 874 H LYS A 95 15.314 58.134 106.445 1.00 0.00 H ATOM 875 N ASP A 96 18.315 58.314 104.850 1.00 18.67 N ATOM 876 CA ASP A 96 19.511 58.671 104.093 1.00 22.29 C ATOM 877 C ASP A 96 20.287 59.814 104.740 1.00 28.95 C ATOM 878 O ASP A 96 21.360 60.176 104.249 1.00 31.28 O ATOM 879 CB ASP A 96 19.158 58.995 102.624 1.00 26.34 C ATOM 880 CG ASP A 96 18.514 60.370 102.435 1.00 33.03 C ATOM 881 OD1 ASP A 96 18.120 61.012 103.427 1.00 30.58 O ATOM 882 OD2 ASP A 96 18.389 60.806 101.263 1.00 34.32 O ATOM 883 H ASP A 96 17.386 58.708 104.599 1.00 0.00 H ATOM 884 N GLY A 97 19.766 60.385 105.822 1.00 27.23 N ATOM 885 CA GLY A 97 20.519 61.323 106.628 1.00 31.69 C ATOM 886 C GLY A 97 20.682 62.700 106.034 1.00 28.58 C ATOM 887 O GLY A 97 21.550 63.453 106.485 1.00 29.08 O ATOM 888 H GLY A 97 18.791 60.151 106.097 1.00 0.00 H ATOM 889 N ASN A 98 19.874 63.065 105.043 1.00 26.46 N ATOM 890 CA ASN A 98 20.049 64.346 104.371 1.00 31.03 C ATOM 891 C ASN A 98 19.300 65.481 105.058 1.00 34.70 C ATOM 892 O ASN A 98 19.340 66.616 104.576 1.00 33.35 O ATOM 893 CB ASN A 98 19.640 64.235 102.884 1.00 31.84 C ATOM 894 CG ASN A 98 18.139 64.140 102.683 1.00 33.51 C ATOM 895 OD1 ASN A 98 17.392 63.857 103.620 1.00 30.37 O ATOM 896 ND2 ASN A 98 17.688 64.379 101.441 1.00 31.51 N ATOM 897 HD22 ASN A 98 18.358 64.615 100.681 1.00 0.00 H ATOM 898 HD21 ASN A 98 16.669 64.329 101.239 1.00 0.00 H ATOM 899 H ASN A 98 19.108 62.428 104.744 1.00 0.00 H ATOM 900 N GLY A 99 18.650 65.218 106.191 1.00 26.68 N ATOM 901 CA GLY A 99 17.990 66.269 106.942 1.00 25.56 C ATOM 902 C GLY A 99 16.538 66.486 106.590 1.00 23.32 C ATOM 903 O GLY A 99 15.924 67.426 107.103 1.00 27.80 O ATOM 904 H GLY A 99 18.615 64.240 106.544 1.00 0.00 H ATOM 905 N TYR A 100 15.974 65.651 105.723 1.00 23.99 N ATOM 906 CA TYR A 100 14.608 65.774 105.236 1.00 27.10 C ATOM 907 C TYR A 100 14.008 64.383 105.222 1.00 33.78 C ATOM 908 O TYR A 100 14.669 63.437 104.797 1.00 33.62 O ATOM 909 CB TYR A 100 14.543 66.341 103.819 1.00 28.27 C ATOM 910 CG TYR A 100 15.162 67.715 103.675 1.00 33.79 C ATOM 911 CD1 TYR A 100 16.488 67.864 103.297 1.00 40.65 C ATOM 912 CD2 TYR A 100 14.426 68.860 103.954 1.00 42.11 C ATOM 913 CE1 TYR A 100 17.061 69.122 103.190 1.00 43.71 C ATOM 914 CE2 TYR A 100 14.989 70.113 103.847 1.00 45.52 C ATOM 915 CZ TYR A 100 16.303 70.239 103.460 1.00 53.99 C ATOM 916 OH TYR A 100 16.863 71.491 103.353 1.00 65.13 O ATOM 917 HH TYR A 100 17.807 71.406 103.067 1.00 0.00 H ATOM 918 H TYR A 100 16.546 64.858 105.370 1.00 0.00 H ATOM 919 N ILE A 101 12.769 64.252 105.677 1.00 27.05 N ATOM 920 CA ILE A 101 12.056 62.986 105.567 1.00 26.27 C ATOM 921 C ILE A 101 11.227 63.041 104.292 1.00 26.69 C ATOM 922 O ILE A 101 10.405 63.945 104.116 1.00 26.26 O ATOM 923 CB ILE A 101 11.174 62.720 106.797 1.00 29.61 C ATOM 924 CG1 ILE A 101 12.012 62.653 108.070 1.00 26.33 C ATOM 925 CG2 ILE A 101 10.435 61.414 106.652 1.00 20.84 C ATOM 926 CD1 ILE A 101 11.172 62.827 109.344 1.00 29.26 C ATOM 927 H ILE A 101 12.298 65.067 106.120 1.00 0.00 H ATOM 928 N SER A 102 11.444 62.077 103.402 1.00 24.50 N ATOM 929 CA SER A 102 10.661 61.977 102.184 1.00 24.03 C ATOM 930 C SER A 102 9.436 61.099 102.403 1.00 22.15 C ATOM 931 O SER A 102 9.335 60.364 103.382 1.00 22.39 O ATOM 932 CB SER A 102 11.510 61.405 101.048 1.00 26.36 C ATOM 933 OG SER A 102 11.928 60.087 101.350 1.00 23.47 O ATOM 934 HG SER A 102 12.475 59.736 100.603 1.00 0.00 H ATOM 935 H SER A 102 12.193 61.378 103.583 1.00 0.00 H ATOM 936 N ALA A 103 8.498 61.175 101.456 1.00 24.49 N ATOM 937 CA ALA A 103 7.358 60.263 101.491 1.00 29.68 C ATOM 938 C ALA A 103 7.820 58.809 101.507 1.00 32.88 C ATOM 939 O ALA A 103 7.302 57.989 102.274 1.00 25.04 O ATOM 940 CB ALA A 103 6.440 60.513 100.295 1.00 25.39 C ATOM 941 H ALA A 103 8.579 61.881 100.696 1.00 0.00 H ATOM 942 N ALA A 104 8.807 58.476 100.674 1.00 28.72 N ATOM 943 CA ALA A 104 9.276 57.094 100.620 1.00 23.23 C ATOM 944 C ALA A 104 9.893 56.673 101.948 1.00 24.61 C ATOM 945 O ALA A 104 9.660 55.553 102.415 1.00 21.49 O ATOM 946 CB ALA A 104 10.272 56.925 99.475 1.00 26.15 C ATOM 947 H ALA A 104 9.241 59.198 100.065 1.00 0.00 H ATOM 948 N GLU A 105 10.694 57.549 102.564 1.00 19.15 N ATOM 949 CA GLU A 105 11.284 57.222 103.859 1.00 22.20 C ATOM 950 C GLU A 105 10.210 57.047 104.923 1.00 25.21 C ATOM 951 O GLU A 105 10.292 56.134 105.751 1.00 24.10 O ATOM 952 CB GLU A 105 12.281 58.306 104.284 1.00 21.54 C ATOM 953 CG GLU A 105 13.608 58.295 103.529 1.00 24.70 C ATOM 954 CD GLU A 105 14.487 59.487 103.883 1.00 27.08 C ATOM 955 OE1 GLU A 105 13.929 60.572 104.178 1.00 24.46 O ATOM 956 OE2 GLU A 105 15.729 59.341 103.856 1.00 21.82 O ATOM 957 H GLU A 105 10.897 58.467 102.119 1.00 0.00 H ATOM 958 N LEU A 106 9.203 57.924 104.928 1.00 24.96 N ATOM 959 CA LEU A 106 8.129 57.802 105.911 1.00 25.44 C ATOM 960 C LEU A 106 7.357 56.498 105.722 1.00 28.55 C ATOM 961 O LEU A 106 7.067 55.791 106.696 1.00 31.27 O ATOM 962 CB LEU A 106 7.195 59.010 105.824 1.00 24.93 C ATOM 963 CG LEU A 106 5.976 58.931 106.741 1.00 27.04 C ATOM 964 CD1 LEU A 106 6.419 58.805 108.184 1.00 24.31 C ATOM 965 CD2 LEU A 106 5.052 60.132 106.526 1.00 32.78 C ATOM 966 H LEU A 106 9.183 58.695 104.231 1.00 0.00 H ATOM 967 N ARG A 107 7.023 56.158 104.473 1.00 22.96 N ATOM 968 CA ARG A 107 6.326 54.903 104.199 1.00 23.37 C ATOM 969 C ARG A 107 7.162 53.704 104.630 1.00 25.02 C ATOM 970 O ARG A 107 6.643 52.748 105.220 1.00 25.06 O ATOM 971 CB ARG A 107 6.003 54.809 102.706 1.00 24.99 C ATOM 972 CG ARG A 107 5.371 53.507 102.258 1.00 26.93 C ATOM 973 CD ARG A 107 5.094 53.539 100.765 1.00 38.86 C ATOM 974 NE ARG A 107 6.297 53.868 100.003 1.00 49.02 N ATOM 975 CZ ARG A 107 6.316 54.079 98.691 1.00 61.56 C ATOM 976 NH1 ARG A 107 5.192 53.997 97.990 1.00 67.60 N ATOM 977 NH2 ARG A 107 7.458 54.373 98.078 1.00 51.97 N ATOM 978 HE ARG A 107 7.196 53.942 100.521 1.00 0.00 H ATOM 979 HH12 ARG A 107 5.206 54.162 96.963 1.00 0.00 H ATOM 980 HH11 ARG A 107 4.297 53.768 98.467 1.00 0.00 H ATOM 981 HH22 ARG A 107 7.470 54.538 97.051 1.00 0.00 H ATOM 982 HH21 ARG A 107 8.340 54.438 98.625 1.00 0.00 H ATOM 983 H ARG A 107 7.262 56.795 103.686 1.00 0.00 H ATOM 984 N HIS A 108 8.464 53.752 104.344 1.00 20.58 N ATOM 985 CA HIS A 108 9.358 52.622 104.575 1.00 22.63 C ATOM 986 C HIS A 108 9.535 52.349 106.063 1.00 22.17 C ATOM 987 O HIS A 108 9.342 51.219 106.530 1.00 21.63 O ATOM 988 CB HIS A 108 10.704 52.926 103.906 1.00 19.62 C ATOM 989 CG HIS A 108 11.804 51.964 104.246 1.00 18.95 C ATOM 990 ND1 HIS A 108 12.050 50.820 103.513 1.00 23.34 N ATOM 991 CD2 HIS A 108 12.750 51.991 105.214 1.00 18.15 C ATOM 992 CE1 HIS A 108 13.094 50.190 104.014 1.00 20.86 C ATOM 993 NE2 HIS A 108 13.536 50.877 105.054 1.00 21.53 N ATOM 994 H HIS A 108 8.856 54.627 103.942 1.00 0.00 H ATOM 995 N VAL A 109 9.905 53.379 106.823 1.00 20.67 N ATOM 996 CA VAL A 109 10.177 53.195 108.245 1.00 22.49 C ATOM 997 C VAL A 109 8.890 52.889 108.999 1.00 25.09 C ATOM 998 O VAL A 109 8.871 52.038 109.898 1.00 31.33 O ATOM 999 CB VAL A 109 10.906 54.433 108.799 1.00 24.54 C ATOM 1000 CG1 VAL A 109 11.076 54.350 110.323 1.00 23.85 C ATOM 1001 CG2 VAL A 109 12.265 54.570 108.124 1.00 24.60 C ATOM 1002 H VAL A 109 10.001 54.324 106.399 1.00 0.00 H ATOM 1003 N MET A 110 7.789 53.556 108.639 1.00 23.87 N ATOM 1004 CA MET A 110 6.504 53.244 109.260 1.00 25.77 C ATOM 1005 C MET A 110 6.108 51.792 109.023 1.00 34.54 C ATOM 1006 O MET A 110 5.645 51.110 109.945 1.00 31.61 O ATOM 1007 CB MET A 110 5.414 54.176 108.738 1.00 31.19 C ATOM 1008 CG MET A 110 5.420 55.553 109.389 1.00 31.56 C ATOM 1009 SD MET A 110 5.087 55.468 111.160 1.00 42.51 S ATOM 1010 CE MET A 110 4.635 57.171 111.474 1.00 44.74 C ATOM 1011 H MET A 110 7.847 54.300 107.914 1.00 0.00 H ATOM 1012 N THR A 111 6.270 51.303 107.789 1.00 28.80 N ATOM 1013 CA THR A 111 5.954 49.906 107.507 1.00 28.04 C ATOM 1014 C THR A 111 6.788 48.969 108.372 1.00 30.96 C ATOM 1015 O THR A 111 6.267 47.999 108.933 1.00 32.09 O ATOM 1016 CB THR A 111 6.178 49.600 106.028 1.00 30.57 C ATOM 1017 OG1 THR A 111 5.276 50.386 105.238 1.00 29.09 O ATOM 1018 CG2 THR A 111 5.923 48.120 105.751 1.00 31.75 C ATOM 1019 HG1 THR A 111 5.443 51.347 105.407 1.00 0.00 H ATOM 1020 H THR A 111 6.622 51.919 107.029 1.00 0.00 H ATOM 1021 N ASN A 112 8.083 49.248 108.500 1.00 24.45 N ATOM 1022 CA ASN A 112 8.945 48.362 109.260 1.00 26.85 C ATOM 1023 C ASN A 112 8.710 48.496 110.762 1.00 35.87 C ATOM 1024 O ASN A 112 9.114 47.610 111.520 1.00 32.52 O ATOM 1025 CB ASN A 112 10.410 48.630 108.901 1.00 23.16 C ATOM 1026 CG ASN A 112 10.794 48.066 107.529 1.00 25.84 C ATOM 1027 OD1 ASN A 112 10.124 47.178 106.998 1.00 22.53 O ATOM 1028 ND2 ASN A 112 11.890 48.567 106.970 1.00 23.91 N ATOM 1029 HD22 ASN A 112 12.425 49.316 107.454 1.00 0.00 H ATOM 1030 HD21 ASN A 112 12.213 48.210 106.048 1.00 0.00 H ATOM 1031 H ASN A 112 8.477 50.101 108.055 1.00 0.00 H ATOM 1032 N LEU A 113 8.059 49.573 111.202 1.00 30.62 N ATOM 1033 CA LEU A 113 7.626 49.710 112.587 1.00 29.27 C ATOM 1034 C LEU A 113 6.219 49.173 112.815 1.00 40.50 C ATOM 1035 O LEU A 113 5.646 49.397 113.888 1.00 45.16 O ATOM 1036 CB LEU A 113 7.698 51.172 113.026 1.00 26.63 C ATOM 1037 CG LEU A 113 9.065 51.852 112.973 1.00 30.36 C ATOM 1038 CD1 LEU A 113 8.994 53.286 113.500 1.00 30.65 C ATOM 1039 CD2 LEU A 113 10.114 51.049 113.717 1.00 26.39 C ATOM 1040 H LEU A 113 7.853 50.343 110.533 1.00 0.00 H ATOM 1041 N GLY A 114 5.647 48.484 111.827 1.00 34.91 N ATOM 1042 CA GLY A 114 4.383 47.798 111.988 1.00 42.80 C ATOM 1043 C GLY A 114 3.155 48.578 111.578 1.00 47.28 C ATOM 1044 O GLY A 114 2.044 48.041 111.678 1.00 51.33 O ATOM 1045 H GLY A 114 6.127 48.438 110.906 1.00 0.00 H ATOM 1046 N GLU A 115 3.311 49.817 111.120 1.00 45.54 N ATOM 1047 CA GLU A 115 2.189 50.643 110.677 1.00 46.14 C ATOM 1048 C GLU A 115 2.093 50.563 109.156 1.00 53.55 C ATOM 1049 O GLU A 115 2.831 51.241 108.436 1.00 50.89 O ATOM 1050 CB GLU A 115 2.352 52.082 111.155 1.00 50.91 C ATOM 1051 CG GLU A 115 1.545 52.412 112.403 1.00 65.95 C ATOM 1052 CD GLU A 115 0.056 52.511 112.126 1.00 83.99 C ATOM 1053 OE1 GLU A 115 -0.372 53.501 111.494 1.00 90.26 O ATOM 1054 OE2 GLU A 115 -0.686 51.592 112.534 1.00 90.20 O ATOM 1055 H GLU A 115 4.271 50.215 111.075 1.00 0.00 H ATOM 1056 N LYS A 116 1.182 49.728 108.670 1.00 56.94 N ATOM 1057 CA LYS A 116 0.890 49.681 107.244 1.00 62.03 C ATOM 1058 C LYS A 116 0.035 50.887 106.867 1.00 66.61 C ATOM 1059 O LYS A 116 -1.095 51.032 107.347 1.00 73.04 O ATOM 1060 CB LYS A 116 0.178 48.377 106.894 1.00 67.19 C ATOM 1061 CG LYS A 116 0.932 47.123 107.327 1.00 71.10 C ATOM 1062 CD LYS A 116 2.190 46.916 106.496 1.00 72.11 C ATOM 1063 CE LYS A 116 3.196 46.036 107.222 1.00 72.46 C ATOM 1064 NZ LYS A 116 3.708 46.696 108.456 1.00 70.96 N ATOM 1065 HZ1 LYS A 116 4.175 47.590 108.201 1.00 0.00 H ATOM 1066 HZ2 LYS A 116 2.914 46.889 109.099 1.00 0.00 H ATOM 1067 HZ3 LYS A 116 4.391 46.068 108.926 1.00 0.00 H ATOM 1068 H LYS A 116 0.669 49.097 109.318 1.00 0.00 H ATOM 1069 N LEU A 117 0.583 51.760 106.030 1.00 60.92 N ATOM 1070 CA LEU A 117 -0.089 52.966 105.565 1.00 55.96 C ATOM 1071 C LEU A 117 -0.244 52.883 104.055 1.00 53.87 C ATOM 1072 O LEU A 117 0.649 52.384 103.366 1.00 52.66 O ATOM 1073 CB LEU A 117 0.711 54.225 105.929 1.00 58.48 C ATOM 1074 CG LEU A 117 0.722 54.857 107.328 1.00 65.31 C ATOM 1075 CD1 LEU A 117 0.727 53.828 108.442 1.00 66.46 C ATOM 1076 CD2 LEU A 117 1.930 55.783 107.463 1.00 62.88 C ATOM 1077 H LEU A 117 1.547 51.572 105.687 1.00 0.00 H ATOM 1078 N THR A 118 -1.375 53.361 103.534 1.00 57.14 N ATOM 1079 CA THR A 118 -1.500 53.448 102.086 1.00 58.97 C ATOM 1080 C THR A 118 -0.620 54.575 101.561 1.00 57.25 C ATOM 1081 O THR A 118 -0.200 55.469 102.303 1.00 55.48 O ATOM 1082 CB THR A 118 -2.949 53.690 101.651 1.00 63.72 C ATOM 1083 OG1 THR A 118 -3.228 55.097 101.660 1.00 66.12 O ATOM 1084 CG2 THR A 118 -3.918 52.972 102.570 1.00 63.87 C ATOM 1085 HG1 THR A 118 -4.165 55.248 101.378 1.00 0.00 H ATOM 1086 H THR A 118 -2.154 53.666 104.151 1.00 0.00 H ATOM 1087 N ASP A 119 -0.334 54.525 100.258 1.00 55.04 N ATOM 1088 CA ASP A 119 0.481 55.577 99.665 1.00 57.69 C ATOM 1089 C ASP A 119 -0.196 56.936 99.785 1.00 61.46 C ATOM 1090 O ASP A 119 0.484 57.954 99.961 1.00 64.67 O ATOM 1091 CB ASP A 119 0.791 55.255 98.202 1.00 64.95 C ATOM 1092 CG ASP A 119 1.677 54.029 98.050 1.00 68.63 C ATOM 1093 OD1 ASP A 119 1.752 53.480 96.930 1.00 69.44 O ATOM 1094 OD2 ASP A 119 2.285 53.605 99.054 1.00 69.73 O ATOM 1095 H ASP A 119 -0.689 53.743 99.672 1.00 0.00 H ATOM 1096 N GLU A 120 -1.530 56.973 99.715 1.00 58.26 N ATOM 1097 CA GLU A 120 -2.229 58.242 99.871 1.00 54.81 C ATOM 1098 C GLU A 120 -2.149 58.743 101.307 1.00 53.23 C ATOM 1099 O GLU A 120 -1.979 59.945 101.540 1.00 51.55 O ATOM 1100 CB GLU A 120 -3.685 58.108 99.430 1.00 62.69 C ATOM 1101 CG GLU A 120 -4.450 59.424 99.466 1.00 75.32 C ATOM 1102 CD GLU A 120 -3.833 60.484 98.567 1.00 84.99 C ATOM 1103 OE1 GLU A 120 -3.312 60.125 97.487 1.00 85.82 O ATOM 1104 OE2 GLU A 120 -3.861 61.675 98.945 1.00 88.76 O ATOM 1105 H GLU A 120 -2.068 56.098 99.550 1.00 0.00 H ATOM 1106 N GLU A 121 -2.271 57.837 102.283 1.00 55.90 N ATOM 1107 CA GLU A 121 -2.098 58.229 103.679 1.00 52.74 C ATOM 1108 C GLU A 121 -0.730 58.857 103.906 1.00 51.75 C ATOM 1109 O GLU A 121 -0.590 59.798 104.695 1.00 42.88 O ATOM 1110 CB GLU A 121 -2.264 57.021 104.603 1.00 54.47 C ATOM 1111 CG GLU A 121 -3.586 56.286 104.513 1.00 64.41 C ATOM 1112 CD GLU A 121 -3.781 55.330 105.679 1.00 73.14 C ATOM 1113 OE1 GLU A 121 -3.677 55.783 106.837 1.00 77.70 O ATOM 1114 OE2 GLU A 121 -4.025 54.127 105.446 1.00 79.14 O ATOM 1115 H GLU A 121 -2.490 56.848 102.047 1.00 0.00 H ATOM 1116 N VAL A 122 0.296 58.337 103.232 1.00 47.03 N ATOM 1117 CA VAL A 122 1.643 58.852 103.434 1.00 41.44 C ATOM 1118 C VAL A 122 1.800 60.207 102.763 1.00 44.80 C ATOM 1119 O VAL A 122 2.383 61.135 103.340 1.00 44.18 O ATOM 1120 CB VAL A 122 2.680 57.834 102.928 1.00 39.66 C ATOM 1121 CG1 VAL A 122 4.080 58.437 102.945 1.00 40.89 C ATOM 1122 CG2 VAL A 122 2.624 56.582 103.783 1.00 38.69 C ATOM 1123 H VAL A 122 0.134 57.561 102.559 1.00 0.00 H ATOM 1124 N ASP A 123 1.273 60.351 101.543 1.00 37.43 N ATOM 1125 CA ASP A 123 1.388 61.624 100.839 1.00 48.11 C ATOM 1126 C ASP A 123 0.739 62.751 101.637 1.00 51.77 C ATOM 1127 O ASP A 123 1.322 63.833 101.786 1.00 47.35 O ATOM 1128 CB ASP A 123 0.767 61.518 99.444 1.00 47.98 C ATOM 1129 CG ASP A 123 1.623 60.698 98.474 1.00 60.57 C ATOM 1130 OD1 ASP A 123 2.852 60.596 98.685 1.00 57.84 O ATOM 1131 OD2 ASP A 123 1.063 60.160 97.493 1.00 62.56 O ATOM 1132 H ASP A 123 0.779 59.553 101.094 1.00 0.00 H ATOM 1133 N GLU A 124 -0.451 62.506 102.189 1.00 50.14 N ATOM 1134 CA GLU A 124 -1.117 63.554 102.954 1.00 51.36 C ATOM 1135 C GLU A 124 -0.383 63.859 104.254 1.00 50.04 C ATOM 1136 O GLU A 124 -0.364 65.016 104.688 1.00 44.89 O ATOM 1137 CB GLU A 124 -2.572 63.172 103.227 1.00 60.64 C ATOM 1138 CG GLU A 124 -2.767 61.882 103.996 1.00 71.84 C ATOM 1139 CD GLU A 124 -4.223 61.454 104.041 1.00 84.40 C ATOM 1140 OE1 GLU A 124 -4.892 61.509 102.984 1.00 86.48 O ATOM 1141 OE2 GLU A 124 -4.701 61.072 105.133 1.00 84.66 O ATOM 1142 H GLU A 124 -0.900 61.575 102.075 1.00 0.00 H ATOM 1143 N MET A 125 0.238 62.853 104.881 1.00 51.20 N ATOM 1144 CA MET A 125 1.013 63.115 106.091 1.00 43.83 C ATOM 1145 C MET A 125 2.194 64.030 105.798 1.00 44.55 C ATOM 1146 O MET A 125 2.492 64.943 106.581 1.00 39.74 O ATOM 1147 CB MET A 125 1.500 61.806 106.715 1.00 44.28 C ATOM 1148 CG MET A 125 0.421 60.996 107.404 1.00 49.42 C ATOM 1149 SD MET A 125 0.981 59.331 107.823 1.00 52.76 S ATOM 1150 CE MET A 125 1.850 59.634 109.350 1.00 40.04 C ATOM 1151 H MET A 125 0.169 61.885 104.507 1.00 0.00 H ATOM 1152 N ILE A 126 2.886 63.800 104.677 1.00 36.90 N ATOM 1153 CA ILE A 126 3.979 64.687 104.290 1.00 36.44 C ATOM 1154 C ILE A 126 3.439 66.082 103.977 1.00 34.02 C ATOM 1155 O ILE A 126 3.978 67.096 104.438 1.00 40.80 O ATOM 1156 CB ILE A 126 4.755 64.090 103.104 1.00 39.92 C ATOM 1157 CG1 ILE A 126 5.485 62.810 103.532 1.00 34.33 C ATOM 1158 CG2 ILE A 126 5.713 65.124 102.500 1.00 41.90 C ATOM 1159 CD1 ILE A 126 6.789 63.038 104.255 1.00 36.40 C ATOM 1160 H ILE A 126 2.644 62.985 104.078 1.00 0.00 H ATOM 1161 N ARG A 127 2.341 66.146 103.220 1.00 33.97 N ATOM 1162 CA ARG A 127 1.765 67.434 102.840 1.00 37.04 C ATOM 1163 C ARG A 127 1.329 68.232 104.060 1.00 42.92 C ATOM 1164 O ARG A 127 1.512 69.454 104.105 1.00 53.65 O ATOM 1165 CB ARG A 127 0.575 67.222 101.910 1.00 47.88 C ATOM 1166 CG ARG A 127 0.872 67.352 100.434 1.00 56.86 C ATOM 1167 CD ARG A 127 -0.418 67.267 99.629 1.00 64.56 C ATOM 1168 NE ARG A 127 -1.533 67.891 100.338 1.00 79.22 N ATOM 1169 CZ ARG A 127 -2.517 67.219 100.930 1.00 89.84 C ATOM 1170 NH1 ARG A 127 -3.484 67.873 101.560 1.00 93.02 N ATOM 1171 NH2 ARG A 127 -2.531 65.894 100.894 1.00 93.23 N ATOM 1172 HE ARG A 127 -1.559 68.930 100.383 1.00 0.00 H ATOM 1173 HH12 ARG A 127 -4.252 67.346 102.022 1.00 0.00 H ATOM 1174 HH11 ARG A 127 -3.474 68.912 101.592 1.00 0.00 H ATOM 1175 HH22 ARG A 127 -3.300 65.369 101.357 1.00 0.00 H ATOM 1176 HH21 ARG A 127 -1.773 65.379 100.403 1.00 0.00 H ATOM 1177 H ARG A 127 1.889 65.267 102.896 1.00 0.00 H ATOM 1178 N GLU A 128 0.723 67.564 105.041 1.00 44.63 N ATOM 1179 CA GLU A 128 0.293 68.244 106.261 1.00 47.67 C ATOM 1180 C GLU A 128 1.485 68.801 107.033 1.00 55.65 C ATOM 1181 O GLU A 128 1.426 69.907 107.583 1.00 55.65 O ATOM 1182 CB GLU A 128 -0.503 67.279 107.144 1.00 60.05 C ATOM 1183 CG GLU A 128 -1.912 66.966 106.664 1.00 75.88 C ATOM 1184 CD GLU A 128 -2.549 65.813 107.430 1.00 85.55 C ATOM 1185 OE1 GLU A 128 -1.808 64.900 107.862 1.00 86.80 O ATOM 1186 OE2 GLU A 128 -3.788 65.820 107.603 1.00 90.20 O ATOM 1187 H GLU A 128 0.553 66.543 104.937 1.00 0.00 H ATOM 1188 N ALA A 129 2.574 68.037 107.103 1.00 47.51 N ATOM 1189 CA ALA A 129 3.726 68.444 107.901 1.00 39.72 C ATOM 1190 C ALA A 129 4.619 69.435 107.167 1.00 39.52 C ATOM 1191 O ALA A 129 5.332 70.215 107.809 1.00 37.74 O ATOM 1192 CB ALA A 129 4.539 67.211 108.301 1.00 39.76 C ATOM 1193 H ALA A 129 2.604 67.138 106.582 1.00 0.00 H ATOM 1194 N ASP A 130 4.584 69.419 105.838 1.00 38.49 N ATOM 1195 CA ASP A 130 5.470 70.205 104.984 1.00 44.13 C ATOM 1196 C ASP A 130 4.996 71.651 104.958 1.00 47.49 C ATOM 1197 O ASP A 130 4.120 72.016 104.173 1.00 45.96 O ATOM 1198 CB ASP A 130 5.475 69.607 103.582 1.00 39.58 C ATOM 1199 CG ASP A 130 6.412 70.319 102.628 1.00 43.75 C ATOM 1200 OD1 ASP A 130 7.331 71.026 103.085 1.00 41.82 O ATOM 1201 OD2 ASP A 130 6.227 70.146 101.399 1.00 44.95 O ATOM 1202 H ASP A 130 3.880 68.807 105.377 1.00 0.00 H ATOM 1203 N ILE A 131 5.588 72.490 105.804 1.00 40.33 N ATOM 1204 CA ILE A 131 5.151 73.878 105.882 1.00 39.68 C ATOM 1205 C ILE A 131 5.686 74.687 104.707 1.00 45.56 C ATOM 1206 O ILE A 131 4.945 75.455 104.077 1.00 49.16 O ATOM 1207 CB ILE A 131 5.571 74.491 107.232 1.00 39.28 C ATOM 1208 CG1 ILE A 131 4.882 73.758 108.387 1.00 42.13 C ATOM 1209 CG2 ILE A 131 5.244 75.981 107.254 1.00 42.32 C ATOM 1210 CD1 ILE A 131 5.292 74.244 109.773 1.00 50.35 C ATOM 1211 H ILE A 131 6.364 72.155 106.410 1.00 0.00 H ATOM 1212 N ASP A 132 6.972 74.541 104.382 1.00 41.99 N ATOM 1213 CA ASP A 132 7.546 75.405 103.350 1.00 46.42 C ATOM 1214 C ASP A 132 7.273 74.931 101.924 1.00 48.09 C ATOM 1215 O ASP A 132 7.639 75.637 100.980 1.00 51.24 O ATOM 1216 CB ASP A 132 9.058 75.586 103.567 1.00 50.60 C ATOM 1217 CG ASP A 132 9.843 74.287 103.465 1.00 58.39 C ATOM 1218 OD1 ASP A 132 9.262 73.246 103.101 1.00 56.59 O ATOM 1219 OD2 ASP A 132 11.059 74.313 103.758 1.00 62.59 O ATOM 1220 H ASP A 132 7.558 73.824 104.855 1.00 0.00 H ATOM 1221 N GLY A 133 6.652 73.770 101.733 1.00 45.40 N ATOM 1222 CA GLY A 133 6.203 73.381 100.410 1.00 42.01 C ATOM 1223 C GLY A 133 7.237 72.742 99.515 1.00 40.61 C ATOM 1224 O GLY A 133 7.016 72.663 98.302 1.00 42.12 O ATOM 1225 H GLY A 133 6.487 73.135 102.540 1.00 0.00 H ATOM 1226 N ASP A 134 8.350 72.261 100.065 1.00 43.55 N ATOM 1227 CA ASP A 134 9.383 71.637 99.246 1.00 44.42 C ATOM 1228 C ASP A 134 9.147 70.149 99.020 1.00 42.29 C ATOM 1229 O ASP A 134 9.926 69.511 98.302 1.00 38.26 O ATOM 1230 CB ASP A 134 10.771 71.865 99.863 1.00 51.84 C ATOM 1231 CG ASP A 134 10.965 71.150 101.199 1.00 50.15 C ATOM 1232 OD1 ASP A 134 9.992 70.598 101.763 1.00 45.20 O ATOM 1233 OD2 ASP A 134 12.114 71.149 101.685 1.00 53.55 O ATOM 1234 H ASP A 134 8.485 72.331 101.094 1.00 0.00 H ATOM 1235 N GLY A 135 8.088 69.586 99.594 1.00 37.16 N ATOM 1236 CA GLY A 135 7.780 68.189 99.395 1.00 36.32 C ATOM 1237 C GLY A 135 8.414 67.248 100.396 1.00 35.48 C ATOM 1238 O GLY A 135 8.225 66.031 100.280 1.00 34.38 O ATOM 1239 H GLY A 135 7.469 70.163 100.198 1.00 0.00 H ATOM 1240 N GLN A 136 9.158 67.769 101.371 1.00 32.27 N ATOM 1241 CA GLN A 136 9.845 66.961 102.366 1.00 33.00 C ATOM 1242 C GLN A 136 9.632 67.578 103.740 1.00 34.36 C ATOM 1243 O GLN A 136 9.239 68.741 103.863 1.00 33.63 O ATOM 1244 CB GLN A 136 11.345 66.861 102.085 1.00 42.73 C ATOM 1245 CG GLN A 136 11.708 66.489 100.668 1.00 56.09 C ATOM 1246 CD GLN A 136 13.132 65.991 100.556 1.00 61.99 C ATOM 1247 OE1 GLN A 136 13.390 64.787 100.647 1.00 62.75 O ATOM 1248 NE2 GLN A 136 14.070 66.916 100.372 1.00 63.45 N ATOM 1249 HE22 GLN A 136 13.804 67.919 100.301 1.00 0.00 H ATOM 1250 HE21 GLN A 136 15.069 66.636 100.299 1.00 0.00 H ATOM 1251 H GLN A 136 9.252 68.803 101.423 1.00 0.00 H ATOM 1252 N VAL A 137 9.918 66.797 104.778 1.00 25.93 N ATOM 1253 CA VAL A 137 9.715 67.229 106.159 1.00 25.75 C ATOM 1254 C VAL A 137 11.082 67.410 106.804 1.00 32.01 C ATOM 1255 O VAL A 137 11.791 66.426 107.052 1.00 31.70 O ATOM 1256 CB VAL A 137 8.870 66.226 106.957 1.00 28.98 C ATOM 1257 CG1 VAL A 137 8.721 66.706 108.410 1.00 30.39 C ATOM 1258 CG2 VAL A 137 7.512 66.018 106.306 1.00 26.09 C ATOM 1259 H VAL A 137 10.299 65.846 104.600 1.00 0.00 H ATOM 1260 N ASN A 138 11.451 68.655 107.109 1.00 28.40 N ATOM 1261 CA ASN A 138 12.701 68.885 107.820 1.00 32.25 C ATOM 1262 C ASN A 138 12.468 68.845 109.334 1.00 28.54 C ATOM 1263 O ASN A 138 11.357 68.607 109.816 1.00 28.68 O ATOM 1264 CB ASN A 138 13.362 70.195 107.360 1.00 38.75 C ATOM 1265 CG ASN A 138 12.608 71.462 107.797 1.00 39.02 C ATOM 1266 OD1 ASN A 138 11.708 71.431 108.633 1.00 38.08 O ATOM 1267 ND2 ASN A 138 12.995 72.595 107.214 1.00 38.88 N ATOM 1268 HD22 ASN A 138 13.761 72.583 106.510 1.00 0.00 H ATOM 1269 HD21 ASN A 138 12.531 73.492 107.462 1.00 0.00 H ATOM 1270 H ASN A 138 10.848 69.459 106.840 1.00 0.00 H ATOM 1271 N TYR A 139 13.536 69.091 110.098 1.00 29.84 N ATOM 1272 CA TYR A 139 13.476 68.907 111.548 1.00 31.81 C ATOM 1273 C TYR A 139 12.441 69.821 112.197 1.00 36.12 C ATOM 1274 O TYR A 139 11.599 69.369 112.983 1.00 32.86 O ATOM 1275 CB TYR A 139 14.854 69.145 112.164 1.00 30.46 C ATOM 1276 CG TYR A 139 14.828 69.129 113.673 1.00 31.41 C ATOM 1277 CD1 TYR A 139 14.828 67.925 114.368 1.00 38.67 C ATOM 1278 CD2 TYR A 139 14.787 70.314 114.406 1.00 35.31 C ATOM 1279 CE1 TYR A 139 14.795 67.892 115.745 1.00 34.91 C ATOM 1280 CE2 TYR A 139 14.756 70.287 115.800 1.00 32.88 C ATOM 1281 CZ TYR A 139 14.761 69.063 116.454 1.00 37.72 C ATOM 1282 OH TYR A 139 14.732 68.993 117.833 1.00 38.39 O ATOM 1283 HH TYR A 139 14.741 68.044 118.114 1.00 0.00 H ATOM 1284 H TYR A 139 14.420 69.417 109.657 1.00 0.00 H ATOM 1285 N GLU A 140 12.505 71.118 111.905 1.00 37.54 N ATOM 1286 CA GLU A 140 11.577 72.047 112.543 1.00 38.03 C ATOM 1287 C GLU A 140 10.133 71.754 112.154 1.00 41.94 C ATOM 1288 O GLU A 140 9.219 71.975 112.955 1.00 30.74 O ATOM 1289 CB GLU A 140 11.954 73.484 112.196 1.00 47.78 C ATOM 1290 CG GLU A 140 13.317 73.922 112.747 1.00 63.41 C ATOM 1291 CD GLU A 140 13.407 73.894 114.277 1.00 78.99 C ATOM 1292 OE1 GLU A 140 14.543 73.939 114.801 1.00 81.11 O ATOM 1293 OE2 GLU A 140 12.358 73.835 114.958 1.00 81.95 O ATOM 1294 H GLU A 140 13.212 71.467 111.227 1.00 0.00 H ATOM 1295 N GLU A 141 9.910 71.226 110.947 1.00 35.41 N ATOM 1296 CA GLU A 141 8.566 70.799 110.570 1.00 36.37 C ATOM 1297 C GLU A 141 8.158 69.552 111.343 1.00 33.82 C ATOM 1298 O GLU A 141 6.989 69.393 111.711 1.00 34.50 O ATOM 1299 CB GLU A 141 8.503 70.553 109.061 1.00 37.43 C ATOM 1300 CG GLU A 141 8.508 71.845 108.223 1.00 38.77 C ATOM 1301 CD GLU A 141 8.657 71.590 106.726 1.00 41.88 C ATOM 1302 OE1 GLU A 141 9.031 70.461 106.331 1.00 34.20 O ATOM 1303 OE2 GLU A 141 8.403 72.519 105.936 1.00 39.03 O ATOM 1304 H GLU A 141 10.696 71.119 110.274 1.00 0.00 H ATOM 1305 N PHE A 142 9.113 68.649 111.573 1.00 28.80 N ATOM 1306 CA PHE A 142 8.888 67.485 112.423 1.00 27.14 C ATOM 1307 C PHE A 142 8.490 67.900 113.839 1.00 38.83 C ATOM 1308 O PHE A 142 7.543 67.353 114.416 1.00 39.40 O ATOM 1309 CB PHE A 142 10.162 66.637 112.438 1.00 23.17 C ATOM 1310 CG PHE A 142 10.019 65.305 113.098 1.00 28.40 C ATOM 1311 CD1 PHE A 142 9.435 64.243 112.426 1.00 32.87 C ATOM 1312 CD2 PHE A 142 10.533 65.088 114.370 1.00 25.29 C ATOM 1313 CE1 PHE A 142 9.319 63.003 113.025 1.00 31.58 C ATOM 1314 CE2 PHE A 142 10.423 63.852 114.969 1.00 27.43 C ATOM 1315 CZ PHE A 142 9.818 62.804 114.287 1.00 26.95 C ATOM 1316 H PHE A 142 10.046 68.779 111.133 1.00 0.00 H ATOM 1317 N VAL A 143 9.221 68.858 114.418 1.00 32.40 N ATOM 1318 CA VAL A 143 8.887 69.358 115.754 1.00 32.79 C ATOM 1319 C VAL A 143 7.460 69.885 115.786 1.00 34.79 C ATOM 1320 O VAL A 143 6.690 69.588 116.711 1.00 36.84 O ATOM 1321 CB VAL A 143 9.895 70.440 116.185 1.00 33.11 C ATOM 1322 CG1 VAL A 143 9.416 71.144 117.460 1.00 45.01 C ATOM 1323 CG2 VAL A 143 11.266 69.822 116.398 1.00 29.45 C ATOM 1324 H VAL A 143 10.039 69.254 113.912 1.00 0.00 H ATOM 1325 N GLN A 144 7.075 70.662 114.768 1.00 33.44 N ATOM 1326 CA GLN A 144 5.737 71.242 114.738 1.00 44.54 C ATOM 1327 C GLN A 144 4.661 70.177 114.563 1.00 45.83 C ATOM 1328 O GLN A 144 3.577 70.284 115.149 1.00 45.26 O ATOM 1329 CB GLN A 144 5.645 72.288 113.625 1.00 50.92 C ATOM 1330 CG GLN A 144 6.227 73.625 114.028 1.00 69.53 C ATOM 1331 CD GLN A 144 5.804 74.026 115.431 1.00 79.33 C ATOM 1332 OE1 GLN A 144 4.620 74.237 115.699 1.00 88.10 O ATOM 1333 NE2 GLN A 144 6.771 74.113 116.340 1.00 73.43 N ATOM 1334 HE22 GLN A 144 7.758 73.926 116.069 1.00 0.00 H ATOM 1335 HE21 GLN A 144 6.541 74.368 117.322 1.00 0.00 H ATOM 1336 H GLN A 144 7.737 70.855 113.989 1.00 0.00 H ATOM 1337 N MET A 145 4.935 69.146 113.759 1.00 36.51 N ATOM 1338 CA MET A 145 3.941 68.095 113.566 1.00 45.25 C ATOM 1339 C MET A 145 3.600 67.414 114.886 1.00 49.16 C ATOM 1340 O MET A 145 2.436 67.072 115.135 1.00 53.67 O ATOM 1341 CB MET A 145 4.442 67.079 112.537 1.00 45.27 C ATOM 1342 CG MET A 145 3.573 65.832 112.405 1.00 55.30 C ATOM 1343 SD MET A 145 4.052 64.509 113.537 1.00 57.33 S ATOM 1344 CE MET A 145 5.775 64.308 113.100 1.00 52.19 C ATOM 1345 H MET A 145 5.853 69.093 113.273 1.00 0.00 H ATOM 1346 N MET A 146 4.597 67.218 115.751 1.00 45.90 N ATOM 1347 CA MET A 146 4.349 66.665 117.074 1.00 44.07 C ATOM 1348 C MET A 146 3.848 67.713 118.055 1.00 57.43 C ATOM 1349 O MET A 146 3.589 67.372 119.212 1.00 58.42 O ATOM 1350 CB MET A 146 5.620 66.009 117.617 1.00 52.09 C ATOM 1351 CG MET A 146 6.365 65.196 116.567 1.00 62.57 C ATOM 1352 SD MET A 146 7.425 63.905 117.238 1.00 67.65 S ATOM 1353 CE MET A 146 8.497 64.860 118.307 1.00 59.57 C ATOM 1354 H MET A 146 5.569 67.465 115.475 1.00 0.00 H ATOM 1355 N THR A 147 3.696 68.958 117.604 1.00 64.41 N ATOM 1356 CA THR A 147 3.324 70.107 118.428 1.00 61.46 C ATOM 1357 C THR A 147 4.364 70.345 119.509 1.00 63.89 C ATOM 1358 O THR A 147 5.462 70.813 119.209 1.00 62.44 O ATOM 1359 CB THR A 147 1.929 69.943 119.058 1.00 59.22 C ATOM 1360 OG1 THR A 147 0.932 70.026 118.031 1.00 57.35 O ATOM 1361 CG2 THR A 147 1.683 71.023 120.091 1.00 62.40 C ATOM 1362 HG1 THR A 147 0.034 69.921 118.435 1.00 0.00 H ATOM 1363 H THR A 147 3.854 69.125 116.590 1.00 0.00 H TER 1364 THR A 147 HETATM 1365 CA CA A 1 8.874 64.883 136.959 1.00 22.96 CA HETATM 1366 CA CA A 2 11.330 59.865 147.077 1.00 23.77 CA HETATM 1367 CA CA A 3 16.039 61.843 103.989 1.00 22.59 CA HETATM 1368 CA CA A 4 9.520 71.086 104.055 1.00 36.01 CA HETATM 1369 ZN ZN A 5 15.345 63.095 128.554 1.00 21.04 ZN HETATM 1370 O HOH 6 14.663 80.579 142.660 1.00 41.47 O HETATM 1371 O HOH 7 10.119 73.507 128.398 1.00 45.32 O HETATM 1372 O HOH 8 11.035 77.578 138.137 1.00 44.44 O HETATM 1373 O HOH 9 8.952 60.434 133.367 1.00 35.88 O HETATM 1374 O HOH 10 7.662 71.556 137.658 1.00 46.15 O HETATM 1375 O HOH 11 8.376 56.710 118.691 1.00 76.75 O HETATM 1376 O HOH 12 18.025 68.878 117.859 1.00 40.32 O HETATM 1377 O HOH 13 7.102 61.180 146.700 1.00 44.01 O HETATM 1378 O HOH 14 8.401 62.554 136.784 1.00 27.80 O HETATM 1379 O HOH 15 19.110 63.166 109.911 1.00 28.95 O HETATM 1380 O HOH 16 23.502 77.865 149.608 1.00 45.05 O HETATM 1381 O HOH 17 2.577 64.380 99.623 1.00 36.70 O HETATM 1382 O HOH 18 16.168 69.223 108.913 1.00 27.29 O HETATM 1383 O HOH 19 24.303 51.378 139.755 1.00 56.14 O HETATM 1384 O HOH 20 12.084 60.585 151.745 1.00 32.26 O HETATM 1385 O HOH 21 15.018 54.789 144.483 1.00 34.35 O HETATM 1386 O HOH 22 17.348 82.425 143.917 1.00 38.77 O HETATM 1387 O HOH 23 9.297 67.881 149.099 1.00 39.96 O HETATM 1388 O HOH 24 9.975 63.173 150.165 1.00 38.74 O HETATM 1389 O HOH 25 11.886 71.386 104.316 1.00 36.60 O HETATM 1390 O HOH 26 9.301 60.927 148.010 1.00 30.08 O HETATM 1391 O HOH 27 19.502 61.308 98.887 1.00 51.35 O HETATM 1392 O HOH 28 13.515 66.673 129.218 1.00 23.98 O HETATM 1393 O HOH 29 10.787 44.872 105.809 1.00 32.23 O HETATM 1394 O HOH 30 17.912 57.687 116.091 1.00 21.72 O HETATM 1395 O HOH 31 16.149 53.765 142.064 1.00 56.34 O HETATM 1396 O HOH 32 9.759 62.983 132.604 1.00 26.26 O HETATM 1397 O HOH 33 20.888 72.817 128.606 1.00 30.16 O HETATM 1398 O HOH 34 12.301 57.083 138.560 1.00 24.67 O HETATM 1399 O HOH 35 8.387 61.945 139.377 1.00 62.90 O HETATM 1400 O HOH 36 4.904 70.762 110.450 1.00 38.35 O HETATM 1401 O HOH 37 17.653 60.792 125.825 1.00 28.27 O HETATM 1402 O HOH 38 10.356 78.309 142.468 1.00 35.72 O HETATM 1403 O HOH 39 5.556 62.792 142.261 1.00 35.86 O HETATM 1404 O HOH 40 18.513 57.027 120.394 1.00 34.34 O HETATM 1405 O HOH 41 14.950 74.999 152.374 1.00 39.85 O HETATM 1406 O HOH 42 24.574 72.781 155.932 1.00 47.53 O HETATM 1407 O HOH 43 8.502 63.383 99.539 1.00 28.52 O HETATM 1408 O HOH 44 17.592 76.891 142.138 1.00 35.10 O HETATM 1409 O HOH 45 28.261 69.840 155.307 1.00 30.94 O HETATM 1410 O HOH 46 9.219 74.880 107.157 1.00 37.85 O HETATM 1411 O HOH 47 18.082 74.636 152.846 1.00 28.82 O HETATM 1412 O HOH 48 20.033 70.631 135.273 1.00 30.74 O HETATM 1413 O HOH 49 18.263 71.449 137.633 1.00 29.03 O HETATM 1414 O HOH 50 14.354 66.156 131.752 1.00 21.67 O HETATM 1415 O HOH 51 5.463 59.077 144.387 1.00 57.14 O HETATM 1416 O HOH 52 3.081 51.372 95.602 1.00 55.15 O HETATM 1417 O HOH 53 16.876 54.867 109.949 1.00 45.65 O HETATM 1418 O HOH 54 20.262 64.473 128.929 1.00 47.62 O HETATM 1419 O HOH 55 16.378 54.287 146.954 1.00 39.79 O HETATM 1420 O HOH 56 8.720 67.783 145.495 1.00 45.07 O HETATM 1421 O HOH 57 20.582 67.511 155.549 1.00 31.05 O HETATM 1422 O HOH 58 14.093 58.875 99.889 1.00 15.29 O HETATM 1423 O HOH 59 19.880 65.184 99.754 1.00 50.29 O HETATM 1424 O HOH 60 16.261 57.146 102.064 1.00 40.41 O HETATM 1425 O HOH 61 10.968 70.468 127.216 1.00 47.14 O HETATM 1426 O HOH 62 20.152 63.800 119.492 1.00 28.69 O HETATM 1427 O HOH 63 12.391 70.245 96.950 1.00 44.78 O HETATM 1428 O HOH 64 12.417 78.385 152.140 1.00 44.25 O HETATM 1429 O HOH 65 20.159 55.109 108.334 1.00 62.48 O HETATM 1430 O HOH 66 17.547 75.120 126.553 1.00 53.09 O HETATM 1431 O HOH 67 18.943 63.342 125.626 1.00 46.12 O HETATM 1432 O HOH 68 14.567 53.192 150.706 1.00 63.41 O HETATM 1433 O HOH 69 3.789 64.313 141.799 1.00 52.69 O HETATM 1434 O HOH 70 28.696 76.746 145.555 1.00 51.24 O HETATM 1435 O HOH 71 4.700 62.982 98.748 1.00 50.37 O HETATM 1436 O HOH 72 21.304 62.664 121.563 1.00 47.84 O HETATM 1437 O HOH 73 11.003 79.888 149.322 1.00 32.70 O HETATM 1438 O HOH 74 14.450 74.288 129.566 1.00 35.77 O HETATM 1439 O HOH 75 16.378 79.548 141.452 1.00 36.20 O HETATM 1440 O HOH 76 -1.714 69.584 97.760 1.00 39.92 O HETATM 1441 O HOH 77 22.578 66.392 106.627 1.00 62.71 O HETATM 1442 O HOH 78 9.690 60.138 98.173 1.00 23.85 O HETATM 1443 O HOH 79 4.470 68.240 130.723 1.00 42.88 O HETATM 1444 O HOH 80 20.205 59.125 116.797 1.00 36.95 O HETATM 1445 O HOH 81 9.748 66.541 97.312 1.00 47.58 O HETATM 1446 O HOH 82 15.165 62.469 101.842 1.00 36.09 O HETATM 1447 O HOH 83 14.814 72.542 110.257 1.00 45.36 O HETATM 1448 O HOH 84 2.557 66.364 131.138 1.00 50.49 O HETATM 1449 O HOH 85 18.724 76.235 139.735 1.00 40.74 O HETATM 1450 O HOH 86 10.564 64.113 99.193 1.00 54.79 O HETATM 1451 O HOH 87 19.546 64.992 111.996 1.00 35.48 O HETATM 1452 O HOH 88 19.709 56.767 110.193 1.00 47.76 O HETATM 1453 O HOH 89 19.813 61.473 151.243 1.00 59.35 O HETATM 1454 O HOH 90 13.791 71.041 152.018 1.00 32.82 O HETATM 1455 O HOH 91 11.631 62.836 152.449 1.00 54.87 O HETATM 1456 O HOH 92 19.603 68.571 119.664 1.00 43.22 O HETATM 1457 O HOH 93 5.917 62.898 145.092 1.00 55.55 O HETATM 1458 O HOH 94 20.413 60.818 110.415 1.00 55.17 O HETATM 1459 O HOH 95 30.215 71.500 153.860 1.00 31.23 O HETATM 1460 O HOH 96 12.906 53.390 140.808 1.00 54.43 O HETATM 1461 O HOH 97 23.367 58.206 126.596 1.00 51.23 O HETATM 1462 O HOH 98 21.131 66.443 119.368 1.00 42.33 O HETATM 1463 O HOH 99 7.095 65.656 96.327 1.00 39.26 O HETATM 1464 O HOH 100 11.265 62.753 97.519 1.00 38.08 O HETATM 1465 O HOH 101 22.649 56.587 110.069 1.00 48.59 O HETATM 1466 C11 LMJ A 102 2.605 59.342 114.888 1.00 -0.05 C HETATM 1467 C12 LMJ A 102 1.710 58.167 114.392 1.00 -0.11 C HETATM 1468 H1 LMJ A 102 1.214 57.696 115.253 1.00 0.01 H HETATM 1469 H2 LMJ A 102 2.334 57.423 113.876 1.00 0.01 H HETATM 1470 H3 LMJ A 102 0.950 58.553 113.697 1.00 0.01 H HETATM 1471 C13 LMJ A 102 1.694 60.241 115.799 1.00 -0.11 C HETATM 1472 H4 LMJ A 102 2.280 61.091 116.178 1.00 0.01 H HETATM 1473 H5 LMJ A 102 1.321 59.646 116.646 1.00 0.01 H HETATM 1474 H6 LMJ A 102 0.843 60.615 115.211 1.00 0.01 H HETATM 1475 C14 LMJ A 102 3.719 58.667 115.800 1.00 -0.04 C HETATM 1476 C15 LMJ A 102 3.243 58.607 117.246 1.00 -0.01 C HETATM 1477 C20 LMJ A 102 4.296 59.192 118.128 1.00 0.07 C HETATM 1478 C19 LMJ A 102 5.612 58.392 117.947 1.00 0.25 C HETATM 1479 N18 LMJ A 102 6.017 58.439 116.572 1.00 -0.27 N HETATM 1480 C16 LMJ A 102 5.160 59.272 115.722 1.00 0.10 C HETATM 1481 C17 LMJ A 102 5.571 59.146 114.272 1.00 0.04 C HETATM 1482 C09 LMJ A 102 4.671 59.950 113.435 1.00 0.02 C HETATM 1483 C05 LMJ A 102 5.051 60.719 112.284 1.00 0.05 C HETATM 1484 C04 LMJ A 102 3.838 61.327 111.822 1.00 0.09 C HETATM 1485 C03 LMJ A 102 3.862 62.165 110.687 1.00 -0.01 C HETATM 1486 C02 LMJ A 102 5.056 62.370 110.050 1.00 0.03 C HETATM 1487 C07 LMJ A 102 6.240 61.783 110.485 1.00 0.05 C HETATM 1488 C06 LMJ A 102 6.247 60.969 111.583 1.00 -0.03 C HETATM 1489 H18 LMJ A 102 7.174 60.515 111.915 1.00 0.07 H HETATM 1490 CL08 LMJ A 102 7.686 62.126 109.596 1.00 -0.07 CL HETATM 1491 BR01 LMJ A 102 5.159 63.497 108.506 1.00 -0.04 BR HETATM 1492 H17 LMJ A 102 2.954 62.636 110.327 1.00 0.06 H HETATM 1493 N27 LMJ A 102 2.796 60.902 112.704 1.00 -0.28 N HETATM 1494 C10 LMJ A 102 3.335 60.048 113.703 1.00 0.02 C HETATM 1495 H24 LMJ A 102 1.806 61.174 112.627 1.00 0.22 H HETATM 1496 H10 LMJ A 102 5.512 58.091 113.965 1.00 0.06 H HETATM 1497 H11 LMJ A 102 6.603 59.506 114.151 1.00 0.06 H HETATM 1498 C25 LMJ A 102 5.364 60.663 116.454 1.00 -0.00 C HETATM 1499 N24 LMJ A 102 4.584 60.616 117.733 1.00 0.24 N HETATM 1500 C23 LMJ A 102 5.308 61.173 118.897 1.00 -0.03 C HETATM 1501 C22 LMJ A 102 4.670 60.469 120.122 1.00 -0.01 C HETATM 1502 C21 LMJ A 102 3.897 59.252 119.587 1.00 0.01 C HETATM 1503 H13 LMJ A 102 4.196 58.334 120.114 1.00 0.03 H HETATM 1504 H14 LMJ A 102 2.812 59.399 119.692 1.00 0.03 H HETATM 1505 H19 LMJ A 102 5.454 60.142 120.821 1.00 0.03 H HETATM 1506 H20 LMJ A 102 3.983 61.156 120.638 1.00 0.03 H HETATM 1507 H15 LMJ A 102 6.382 60.945 118.833 1.00 0.08 H HETATM 1508 H16 LMJ A 102 5.168 62.262 118.957 1.00 0.08 H HETATM 1509 H23 LMJ A 102 3.723 61.122 117.597 1.00 0.20 H HETATM 1510 H21 LMJ A 102 4.994 61.480 115.818 1.00 0.08 H HETATM 1511 H22 LMJ A 102 6.431 60.821 116.670 1.00 0.08 H HETATM 1512 H12 LMJ A 102 6.814 57.947 116.223 1.00 0.19 H HETATM 1513 O26 LMJ A 102 6.227 57.812 118.764 1.00 -0.34 O HETATM 1514 H8 LMJ A 102 3.062 57.560 117.532 1.00 0.03 H HETATM 1515 H9 LMJ A 102 2.312 59.182 117.352 1.00 0.03 H HETATM 1516 H7 LMJ A 102 3.811 57.630 115.445 1.00 0.02 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 166 165 1366 CONECT 188 187 1366 CONECT 202 201 1366 CONECT 213 212 1366 CONECT 496 495 1365 CONECT 511 510 1365 CONECT 525 524 1365 CONECT 538 537 1365 CONECT 722 720 1369 CONECT 759 758 1369 CONECT 859 858 1367 CONECT 881 880 1367 CONECT 895 894 1367 CONECT 908 907 1367 CONECT 1200 1199 1368 CONECT 1218 1217 1368 CONECT 1232 1231 1368 CONECT 1243 1242 1368 CONECT 1365 496 511 525 538 CONECT 1366 166 188 202 213 CONECT 1367 859 881 895 908 CONECT 1368 1200 1218 1232 1243 CONECT 1369 722 759 CONECT 1466 1467 1471 1475 1494 CONECT 1467 1466 1468 1469 1470 CONECT 1468 1467 CONECT 1469 1467 CONECT 1470 1467 CONECT 1471 1466 1472 1473 1474 CONECT 1472 1471 CONECT 1473 1471 CONECT 1474 1471 CONECT 1475 1466 1476 1480 1516 CONECT 1476 1475 1477 1514 1515 CONECT 1477 1476 1478 1499 1502 CONECT 1478 1477 1479 1513 CONECT 1479 1478 1480 1512 CONECT 1480 1475 1479 1481 1498 CONECT 1481 1480 1482 1496 1497 CONECT 1482 1481 1483 1494 CONECT 1483 1482 1484 1488 CONECT 1484 1483 1485 1493 CONECT 1485 1484 1486 1492 CONECT 1486 1485 1487 1491 CONECT 1487 1486 1488 1490 CONECT 1488 1483 1487 1489 CONECT 1489 1488 CONECT 1490 1487 CONECT 1491 1486 CONECT 1492 1485 CONECT 1493 1484 1494 1495 CONECT 1494 1466 1482 1493 CONECT 1495 1493 CONECT 1496 1481 CONECT 1497 1481 CONECT 1498 1480 1499 1510 1511 CONECT 1499 1477 1498 1500 1509 CONECT 1500 1499 1501 1507 1508 CONECT 1501 1500 1502 1505 1506 CONECT 1502 1477 1501 1503 1504 CONECT 1503 1502 CONECT 1504 1502 CONECT 1505 1501 CONECT 1506 1501 CONECT 1507 1500 CONECT 1508 1500 CONECT 1509 1499 CONECT 1510 1498 CONECT 1511 1498 CONECT 1512 1479 CONECT 1513 1478 CONECT 1514 1476 CONECT 1515 1476 CONECT 1516 1475 MASTER 0 0 0 0 0 0 0 0 1515 1 78 11 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6o5g
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Calmodulin-1
Ligand Name
LMJ
EC.Number
E.C.-.-.-.-
Resolution
1.89(Å)
Affinity (Kd/Ki/IC50)
Kd=2uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Proc.Natl.Acad.Sci.USA Vol. 116: pp. 15895-15900
Ligand Properties
Formula
C
2
1
H
2
4
BrClN
3
O
Molecular Weight
449.792
Exact Mass
448.079
No. of atoms
51
No. of bonds
56
Polar Surface Area
49.33
LOGP Value
4.35 (
Computed with XLOGP3
)
4.62 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 6
Canonical SMILES
O=C1N[C@@]23C[N@H+]4[C@@]1(CCC4)C[C@H]3C(c1c(C2)c2cc(Cl)c(cc2[nH]1)Br)(C)C
InChI String
InChI=1S/C21H23BrClN3O/c1-19(2)16-9-21-4-3-5-26(21)10-20(16,25-18(21)27)8-12-11-6-14(23)13(22)7-15(11)24-17(12)19/h6-7,16,24H,3-5,8-10H2,1-2H3,(H,25,27)/p+1/t16-,20+,21-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P0DP23
Entrez Gene ID
NCBI Entrez Gene ID:
801
805
808
ASD
Information of known allosteric effects of PDB entries
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