Browse entries in the PDBbind-CN Database
HEADER 5DUS_COMPLEX COMPND 5DUS_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 165 MET PRO LEU SER ASN PHE GLU HIS LYS VAL ILE THR GLU SEQRES 2 A 165 CYS VAL THR ILE VAL LEU GLY ASP ALA ILE GLN VAL ALA SEQRES 3 A 165 LYS CYS TYR GLY GLU SER VAL LEU VAL ASN ALA ALA ASN SEQRES 4 A 165 THR HIS LEU LYS HIS GLY GLY GLY ILE ALA GLY ALA ILE SEQRES 5 A 165 ASN ALA ALA SER LYS GLY ALA VAL GLN LYS GLU SER ASP SEQRES 6 A 165 GLU TYR ILE LEU ALA LYS GLY PRO LEU GLN VAL GLY ASP SEQRES 7 A 165 SER VAL LEU LEU GLN GLY HIS SER LEU ALA LYS ASN ILE SEQRES 8 A 165 LEU HIS VAL VAL GLY PRO ASP ALA ARG ALA LYS GLN ASP SEQRES 9 A 165 VAL SER LEU LEU SER LYS CYS TYR LYS ALA MET ASN ALA SEQRES 10 A 165 TYR PRO LEU VAL VAL THR PRO LEU VAL SER ALA GLY ILE SEQRES 11 A 165 PHE GLY VAL LYS PRO ALA VAL SER PHE ASP TYR LEU ILE SEQRES 12 A 165 ARG GLU ALA LYS THR ARG VAL LEU VAL VAL VAL ASN SER SEQRES 13 A 165 GLN ASP VAL TYR LYS SER LEU THR ILE HET APR A 362 57 ATOM 1 N MET A 0 16.457 7.728 86.938 1.00 72.43 N ATOM 2 CA MET A 0 15.476 8.362 87.815 1.00 61.01 C ATOM 3 C MET A 0 14.861 9.703 87.327 1.00 43.64 C ATOM 4 O MET A 0 13.843 10.130 87.883 1.00 87.94 O ATOM 5 CB MET A 0 16.105 8.532 89.216 1.00 49.85 C ATOM 6 CG MET A 0 15.310 9.377 90.221 1.00 57.46 C ATOM 7 SD MET A 0 15.826 9.272 91.938 1.00145.25 S ATOM 8 CE MET A 0 14.718 7.994 92.535 1.00 69.19 C ATOM 9 HN3 MET A 0 17.261 8.372 86.797 1.00 0.00 H ATOM 10 HN2 MET A 0 16.015 7.518 86.020 1.00 0.00 H ATOM 11 HN1 MET A 0 16.791 6.845 87.374 1.00 0.00 H ATOM 12 N PRO A 1 15.416 10.345 86.268 1.00 41.40 N ATOM 13 CA PRO A 1 14.667 11.537 85.845 1.00 41.10 C ATOM 14 C PRO A 1 13.193 11.276 85.527 1.00 40.31 C ATOM 15 O PRO A 1 12.345 12.117 85.821 1.00 44.50 O ATOM 16 CB PRO A 1 15.404 11.982 84.578 1.00 41.52 C ATOM 17 CG PRO A 1 16.784 11.541 84.783 1.00 41.45 C ATOM 18 CD PRO A 1 16.680 10.223 85.513 1.00 42.09 C ATOM 19 N LEU A 2 12.888 10.117 84.960 1.00 36.10 N ATOM 20 CA LEU A 2 11.519 9.827 84.547 1.00 33.11 C ATOM 21 C LEU A 2 10.632 9.315 85.680 1.00 32.75 C ATOM 22 O LEU A 2 9.481 8.946 85.448 1.00 31.82 O ATOM 23 CB LEU A 2 11.513 8.810 83.409 1.00 32.14 C ATOM 24 CG LEU A 2 12.036 9.284 82.059 1.00 31.41 C ATOM 25 CD1 LEU A 2 11.764 8.219 81.018 1.00 31.13 C ATOM 26 CD2 LEU A 2 11.375 10.597 81.683 1.00 31.73 C ATOM 27 H LEU A 2 13.633 9.407 84.808 1.00 0.00 H ATOM 28 N SER A 3 11.153 9.287 86.902 1.00 33.26 N ATOM 29 CA SER A 3 10.374 8.761 88.017 1.00 32.95 C ATOM 30 C SER A 3 9.167 9.648 88.341 1.00 32.07 C ATOM 31 O SER A 3 8.140 9.150 88.801 1.00 32.76 O ATOM 32 CB SER A 3 11.257 8.584 89.257 1.00 37.17 C ATOM 33 OG SER A 3 11.577 9.833 89.840 1.00 39.81 O ATOM 34 HG SER A 3 12.065 10.388 89.181 1.00 0.00 H ATOM 35 H SER A 3 12.118 9.641 87.064 1.00 0.00 H ATOM 36 N ASN A 4 9.269 10.950 88.091 1.00 28.55 N ATOM 37 CA ASN A 4 8.135 11.833 88.375 1.00 28.63 C ATOM 38 C ASN A 4 7.264 12.057 87.145 1.00 23.80 C ATOM 39 O ASN A 4 6.513 13.025 87.088 1.00 24.15 O ATOM 40 CB ASN A 4 8.610 13.182 88.937 1.00 31.35 C ATOM 41 CG ASN A 4 7.596 13.814 89.903 1.00 31.47 C ATOM 42 OD1 ASN A 4 6.771 13.124 90.504 1.00 28.64 O ATOM 43 ND2 ASN A 4 7.668 15.131 90.058 1.00 32.12 N ATOM 44 HD22 ASN A 4 8.379 15.678 89.532 1.00 0.00 H ATOM 45 HD21 ASN A 4 7.013 15.615 90.705 1.00 0.00 H ATOM 46 H ASN A 4 10.149 11.339 87.696 1.00 0.00 H ATOM 47 N PHE A 5 7.370 11.158 86.167 1.00 23.28 N ATOM 48 CA PHE A 5 6.461 11.144 85.020 1.00 20.62 C ATOM 49 C PHE A 5 5.891 9.751 84.788 1.00 20.94 C ATOM 50 O PHE A 5 6.613 8.756 84.878 1.00 21.71 O ATOM 51 CB PHE A 5 7.160 11.582 83.727 1.00 19.90 C ATOM 52 CG PHE A 5 7.794 12.944 83.787 1.00 18.75 C ATOM 53 CD1 PHE A 5 7.095 14.065 83.382 1.00 19.97 C ATOM 54 CD2 PHE A 5 9.104 13.094 84.213 1.00 21.09 C ATOM 55 CE1 PHE A 5 7.684 15.319 83.415 1.00 20.79 C ATOM 56 CE2 PHE A 5 9.699 14.337 84.251 1.00 21.68 C ATOM 57 CZ PHE A 5 8.989 15.456 83.857 1.00 21.35 C ATOM 58 H PHE A 5 8.123 10.443 86.221 1.00 0.00 H ATOM 59 N GLU A 6 4.602 9.677 84.474 1.00 17.22 N ATOM 60 CA GLU A 6 4.048 8.448 83.921 1.00 15.76 C ATOM 61 C GLU A 6 4.747 8.165 82.590 1.00 15.92 C ATOM 62 O GLU A 6 4.823 9.043 81.723 1.00 15.95 O ATOM 63 CB GLU A 6 2.549 8.568 83.705 1.00 16.25 C ATOM 64 CG GLU A 6 1.910 7.309 83.155 1.00 16.31 C ATOM 65 CD GLU A 6 0.490 7.552 82.718 1.00 18.82 C ATOM 66 OE1 GLU A 6 0.230 8.633 82.146 1.00 20.70 O ATOM 67 OE2 GLU A 6 -0.358 6.668 82.930 1.00 20.41 O ATOM 68 H GLU A 6 3.985 10.501 84.624 1.00 0.00 H ATOM 69 N HIS A 7 5.269 6.955 82.425 1.00 16.91 N ATOM 70 CA HIS A 7 5.953 6.617 81.186 1.00 17.05 C ATOM 71 C HIS A 7 5.918 5.121 80.896 1.00 16.96 C ATOM 72 O HIS A 7 5.647 4.306 81.780 1.00 17.64 O ATOM 73 CB HIS A 7 7.399 7.113 81.229 1.00 17.80 C ATOM 74 CG HIS A 7 8.239 6.447 82.272 1.00 20.54 C ATOM 75 ND1 HIS A 7 8.155 6.765 83.610 1.00 21.23 N ATOM 76 CD2 HIS A 7 9.188 5.487 82.173 1.00 21.81 C ATOM 77 CE1 HIS A 7 9.011 6.026 84.293 1.00 22.94 C ATOM 78 NE2 HIS A 7 9.649 5.240 83.446 1.00 23.64 N ATOM 79 H HIS A 7 5.189 6.248 83.183 1.00 0.00 H ATOM 80 N LYS A 8 6.187 4.772 79.640 1.00 16.81 N ATOM 81 CA LYS A 8 6.197 3.381 79.204 1.00 15.83 C ATOM 82 C LYS A 8 7.185 3.182 78.061 1.00 14.60 C ATOM 83 O LYS A 8 7.187 3.937 77.084 1.00 15.21 O ATOM 84 CB LYS A 8 4.805 2.933 78.753 1.00 16.15 C ATOM 85 CG LYS A 8 4.730 1.447 78.400 1.00 18.62 C ATOM 86 CD LYS A 8 3.330 1.000 78.021 1.00 22.51 C ATOM 87 CE LYS A 8 3.270 -0.514 77.832 1.00 26.53 C ATOM 88 NZ LYS A 8 1.930 -0.969 77.411 1.00 31.30 N ATOM 89 HZ1 LYS A 8 1.232 -0.705 78.135 1.00 0.00 H ATOM 90 HZ2 LYS A 8 1.681 -0.519 76.507 1.00 0.00 H ATOM 91 HZ3 LYS A 8 1.937 -2.003 77.295 1.00 0.00 H ATOM 92 H LYS A 8 6.397 5.517 78.946 1.00 0.00 H ATOM 93 N VAL A 9 8.016 2.154 78.177 1.00 15.28 N ATOM 94 CA VAL A 9 8.914 1.790 77.092 1.00 14.42 C ATOM 95 C VAL A 9 8.114 1.168 75.954 1.00 14.40 C ATOM 96 O VAL A 9 7.349 0.223 76.172 1.00 16.06 O ATOM 97 CB VAL A 9 9.992 0.799 77.567 1.00 17.19 C ATOM 98 CG1 VAL A 9 10.809 0.290 76.387 1.00 17.48 C ATOM 99 CG2 VAL A 9 10.880 1.439 78.630 1.00 18.82 C ATOM 100 H VAL A 9 8.025 1.600 79.057 1.00 0.00 H ATOM 101 N ILE A 10 8.274 1.703 74.747 1.00 12.99 N ATOM 102 CA ILE A 10 7.560 1.183 73.587 1.00 12.21 C ATOM 103 C ILE A 10 8.484 0.341 72.708 1.00 13.65 C ATOM 104 O ILE A 10 8.117 -0.756 72.277 1.00 13.51 O ATOM 105 CB ILE A 10 6.930 2.311 72.741 1.00 13.90 C ATOM 106 CG1 ILE A 10 6.030 3.203 73.612 1.00 15.62 C ATOM 107 CG2 ILE A 10 6.164 1.708 71.559 1.00 15.89 C ATOM 108 CD1 ILE A 10 4.889 2.458 74.299 1.00 17.97 C ATOM 109 H ILE A 10 8.921 2.508 74.628 1.00 0.00 H ATOM 110 N THR A 11 9.684 0.848 72.440 1.00 14.12 N ATOM 111 CA THR A 11 10.702 0.081 71.724 1.00 13.88 C ATOM 112 C THR A 11 12.049 0.247 72.406 1.00 14.64 C ATOM 113 O THR A 11 12.166 0.978 73.392 1.00 16.19 O ATOM 114 CB THR A 11 10.853 0.523 70.260 1.00 14.51 C ATOM 115 OG1 THR A 11 11.586 1.756 70.213 1.00 16.44 O ATOM 116 CG2 THR A 11 9.500 0.706 69.589 1.00 15.83 C ATOM 117 HG1 THR A 11 11.685 2.044 69.271 1.00 0.00 H ATOM 118 H THR A 11 9.904 1.817 72.748 1.00 0.00 H ATOM 119 N GLU A 12 13.077 -0.399 71.867 1.00 14.56 N ATOM 120 CA GLU A 12 14.417 -0.200 72.406 1.00 17.60 C ATOM 121 C GLU A 12 14.882 1.263 72.314 1.00 19.54 C ATOM 122 O GLU A 12 15.785 1.648 73.045 1.00 23.42 O ATOM 123 CB GLU A 12 15.428 -1.105 71.695 1.00 21.23 C ATOM 124 CG GLU A 12 15.737 -0.694 70.270 1.00 28.62 C ATOM 125 CD GLU A 12 17.082 -1.215 69.787 1.00 36.57 C ATOM 126 OE1 GLU A 12 17.959 -1.496 70.633 1.00 38.02 O ATOM 127 OE2 GLU A 12 17.267 -1.330 68.559 1.00 39.81 O ATOM 128 H GLU A 12 12.927 -1.043 71.065 1.00 0.00 H ATOM 129 N CYS A 13 14.262 2.050 71.428 1.00 18.11 N ATOM 130 CA CYS A 13 14.610 3.466 71.189 1.00 19.97 C ATOM 131 C CYS A 13 13.658 4.432 71.867 1.00 18.45 C ATOM 132 O CYS A 13 14.062 5.508 72.315 1.00 18.20 O ATOM 133 CB CYS A 13 14.586 3.802 69.689 1.00 18.12 C ATOM 134 SG CYS A 13 15.908 3.190 68.736 1.00 27.65 S ATOM 135 H CYS A 13 13.485 1.639 70.872 1.00 0.00 H ATOM 136 N VAL A 14 12.383 4.064 71.886 1.00 15.51 N ATOM 137 CA VAL A 14 11.314 5.021 72.143 1.00 13.51 C ATOM 138 C VAL A 14 10.586 4.738 73.447 1.00 13.44 C ATOM 139 O VAL A 14 10.137 3.618 73.684 1.00 14.29 O ATOM 140 CB VAL A 14 10.287 5.018 70.985 1.00 13.16 C ATOM 141 CG1 VAL A 14 9.138 5.991 71.274 1.00 14.79 C ATOM 142 CG2 VAL A 14 10.959 5.346 69.662 1.00 15.68 C ATOM 143 H VAL A 14 12.140 3.068 71.713 1.00 0.00 H ATOM 144 N THR A 15 10.464 5.770 74.277 1.00 12.56 N ATOM 145 CA THR A 15 9.677 5.728 75.502 1.00 12.99 C ATOM 146 C THR A 15 8.640 6.844 75.434 1.00 12.28 C ATOM 147 O THR A 15 8.974 7.975 75.077 1.00 12.73 O ATOM 148 CB THR A 15 10.575 5.898 76.739 1.00 14.19 C ATOM 149 OG1 THR A 15 11.487 4.798 76.809 1.00 18.11 O ATOM 150 CG2 THR A 15 9.766 5.967 78.015 1.00 14.46 C ATOM 151 HG1 THR A 15 12.068 4.902 77.604 1.00 0.00 H ATOM 152 H THR A 15 10.957 6.654 74.039 1.00 0.00 H ATOM 153 N ILE A 16 7.386 6.527 75.732 1.00 12.34 N ATOM 154 CA ILE A 16 6.345 7.548 75.772 1.00 12.69 C ATOM 155 C ILE A 16 6.188 8.072 77.201 1.00 13.22 C ATOM 156 O ILE A 16 6.279 7.319 78.173 1.00 14.02 O ATOM 157 CB ILE A 16 5.002 7.011 75.223 1.00 13.64 C ATOM 158 CG1 ILE A 16 3.976 8.146 75.119 1.00 15.43 C ATOM 159 CG2 ILE A 16 4.491 5.835 76.071 1.00 15.91 C ATOM 160 CD1 ILE A 16 2.703 7.763 74.356 1.00 17.25 C ATOM 161 H ILE A 16 7.142 5.537 75.940 1.00 0.00 H ATOM 162 N VAL A 17 5.971 9.377 77.316 1.00 12.27 N ATOM 163 CA VAL A 17 5.954 10.051 78.601 1.00 11.61 C ATOM 164 C VAL A 17 4.742 10.967 78.658 1.00 11.81 C ATOM 165 O VAL A 17 4.471 11.689 77.697 1.00 13.40 O ATOM 166 CB VAL A 17 7.242 10.900 78.816 1.00 13.50 C ATOM 167 CG1 VAL A 17 7.241 11.579 80.180 1.00 13.43 C ATOM 168 CG2 VAL A 17 8.494 10.060 78.624 1.00 14.02 C ATOM 169 H VAL A 17 5.807 9.936 76.454 1.00 0.00 H ATOM 170 N LEU A 18 4.010 10.942 79.768 1.00 13.43 N ATOM 171 CA LEU A 18 2.954 11.925 79.994 1.00 13.45 C ATOM 172 C LEU A 18 3.525 13.195 80.621 1.00 14.14 C ATOM 173 O LEU A 18 4.165 13.147 81.676 1.00 14.68 O ATOM 174 CB LEU A 18 1.852 11.357 80.897 1.00 14.33 C ATOM 175 CG LEU A 18 0.745 12.365 81.216 1.00 15.66 C ATOM 176 CD1 LEU A 18 -0.115 12.630 79.976 1.00 16.30 C ATOM 177 CD2 LEU A 18 -0.108 11.903 82.394 1.00 18.40 C ATOM 178 H LEU A 18 4.192 10.212 80.486 1.00 0.00 H ATOM 179 N GLY A 19 3.304 14.331 79.969 1.00 14.61 N ATOM 180 CA GLY A 19 3.709 15.595 80.554 1.00 15.14 C ATOM 181 C GLY A 19 3.924 16.722 79.568 1.00 13.05 C ATOM 182 O GLY A 19 3.468 16.674 78.428 1.00 13.27 O ATOM 183 H GLY A 19 2.840 14.314 79.038 1.00 0.00 H ATOM 184 N ASP A 20 4.633 17.741 80.039 1.00 14.11 N ATOM 185 CA ASP A 20 5.072 18.889 79.259 1.00 14.01 C ATOM 186 C ASP A 20 6.465 18.605 78.716 1.00 13.25 C ATOM 187 O ASP A 20 7.401 18.433 79.499 1.00 14.12 O ATOM 188 CB ASP A 20 5.070 20.131 80.163 1.00 15.19 C ATOM 189 CG ASP A 20 5.467 21.411 79.452 1.00 16.47 C ATOM 190 OD1 ASP A 20 5.940 21.366 78.299 1.00 14.99 O ATOM 191 OD2 ASP A 20 5.324 22.483 80.086 1.00 20.81 O ATOM 192 H ASP A 20 4.896 17.717 81.045 1.00 0.00 H ATOM 193 N ALA A 21 6.612 18.546 77.391 1.00 12.65 N ATOM 194 CA ALA A 21 7.908 18.224 76.791 1.00 12.22 C ATOM 195 C ALA A 21 9.008 19.170 77.279 1.00 13.44 C ATOM 196 O ALA A 21 10.168 18.776 77.401 1.00 13.76 O ATOM 197 CB ALA A 21 7.819 18.256 75.269 1.00 12.42 C ATOM 198 H ALA A 21 5.794 18.731 76.776 1.00 0.00 H ATOM 199 N ILE A 22 8.648 20.415 77.566 1.00 13.62 N ATOM 200 CA ILE A 22 9.628 21.367 78.067 1.00 15.19 C ATOM 201 C ILE A 22 10.157 20.936 79.432 1.00 14.51 C ATOM 202 O ILE A 22 11.362 21.021 79.700 1.00 15.47 O ATOM 203 CB ILE A 22 9.037 22.783 78.155 1.00 15.88 C ATOM 204 CG1 ILE A 22 8.620 23.260 76.761 1.00 16.37 C ATOM 205 CG2 ILE A 22 10.056 23.747 78.774 1.00 18.10 C ATOM 206 CD1 ILE A 22 7.821 24.544 76.769 1.00 17.66 C ATOM 207 H ILE A 22 7.660 20.712 77.432 1.00 0.00 H ATOM 208 N GLN A 23 9.262 20.459 80.293 1.00 14.44 N ATOM 209 CA GLN A 23 9.670 20.002 81.620 1.00 15.40 C ATOM 210 C GLN A 23 10.477 18.709 81.539 1.00 15.21 C ATOM 211 O GLN A 23 11.391 18.489 82.330 1.00 16.97 O ATOM 212 CB GLN A 23 8.449 19.810 82.518 1.00 18.42 C ATOM 213 CG GLN A 23 7.704 21.103 82.829 1.00 22.60 C ATOM 214 CD GLN A 23 8.573 22.135 83.535 1.00 30.14 C ATOM 215 OE1 GLN A 23 9.312 21.813 84.468 1.00 33.88 O ATOM 216 NE2 GLN A 23 8.485 23.382 83.091 1.00 33.04 N ATOM 217 HE22 GLN A 23 7.848 23.609 82.301 1.00 0.00 H ATOM 218 HE21 GLN A 23 9.053 24.133 83.533 1.00 0.00 H ATOM 219 H GLN A 23 8.260 20.411 80.019 1.00 0.00 H ATOM 220 N VAL A 24 10.149 17.847 80.582 1.00 15.50 N ATOM 221 CA VAL A 24 10.921 16.621 80.406 1.00 14.95 C ATOM 222 C VAL A 24 12.338 16.944 79.925 1.00 15.14 C ATOM 223 O VAL A 24 13.316 16.415 80.462 1.00 16.98 O ATOM 224 CB VAL A 24 10.216 15.656 79.428 1.00 14.17 C ATOM 225 CG1 VAL A 24 11.076 14.422 79.158 1.00 14.34 C ATOM 226 CG2 VAL A 24 8.846 15.261 79.997 1.00 16.35 C ATOM 227 H VAL A 24 9.341 18.046 79.958 1.00 0.00 H ATOM 228 N ALA A 25 12.458 17.827 78.935 1.00 14.55 N ATOM 229 CA ALA A 25 13.772 18.194 78.405 1.00 15.19 C ATOM 230 C ALA A 25 14.669 18.820 79.469 1.00 17.99 C ATOM 231 O ALA A 25 15.893 18.629 79.465 1.00 18.79 O ATOM 232 CB ALA A 25 13.622 19.141 77.234 1.00 15.88 C ATOM 233 H ALA A 25 11.604 18.263 78.532 1.00 0.00 H ATOM 234 N LYS A 26 14.063 19.565 80.386 1.00 18.91 N ATOM 235 CA LYS A 26 14.827 20.223 81.438 1.00 22.09 C ATOM 236 C LYS A 26 15.460 19.237 82.421 1.00 23.24 C ATOM 237 O LYS A 26 16.376 19.600 83.159 1.00 24.89 O ATOM 238 CB LYS A 26 13.941 21.223 82.184 1.00 26.40 C ATOM 239 CG LYS A 26 13.732 22.521 81.410 1.00 30.83 C ATOM 240 CD LYS A 26 12.868 23.515 82.176 1.00 34.78 C ATOM 241 CE LYS A 26 12.632 24.776 81.357 1.00 37.18 C ATOM 242 NZ LYS A 26 11.556 25.640 81.930 1.00 40.51 N ATOM 243 HZ1 LYS A 26 10.664 25.106 81.960 1.00 0.00 H ATOM 244 HZ2 LYS A 26 11.821 25.929 82.893 1.00 0.00 H ATOM 245 HZ3 LYS A 26 11.437 26.484 81.334 1.00 0.00 H ATOM 246 H LYS A 26 13.030 19.680 80.353 1.00 0.00 H ATOM 247 N CYS A 27 14.987 17.995 82.420 1.00 23.62 N ATOM 248 CA CYS A 27 15.546 16.956 83.280 1.00 25.43 C ATOM 249 C CYS A 27 16.824 16.356 82.705 1.00 26.39 C ATOM 250 O CYS A 27 17.527 15.609 83.384 1.00 27.01 O ATOM 251 CB CYS A 27 14.529 15.840 83.505 1.00 26.98 C ATOM 252 SG CYS A 27 13.059 16.350 84.402 1.00 28.26 S ATOM 253 H CYS A 27 14.196 17.756 81.788 1.00 0.00 H ATOM 254 N TYR A 28 17.109 16.671 81.446 1.00 25.79 N ATOM 255 CA TYR A 28 18.276 16.130 80.765 1.00 27.41 C ATOM 256 C TYR A 28 19.102 17.243 80.157 1.00 28.82 C ATOM 257 O TYR A 28 18.677 17.873 79.190 1.00 30.71 O ATOM 258 CB TYR A 28 17.864 15.157 79.663 1.00 27.06 C ATOM 259 CG TYR A 28 17.101 13.956 80.140 1.00 27.21 C ATOM 260 CD1 TYR A 28 17.761 12.786 80.486 1.00 27.62 C ATOM 261 CD2 TYR A 28 15.719 13.982 80.228 1.00 26.61 C ATOM 262 CE1 TYR A 28 17.063 11.680 80.916 1.00 29.16 C ATOM 263 CE2 TYR A 28 15.015 12.887 80.658 1.00 28.37 C ATOM 264 CZ TYR A 28 15.689 11.737 80.996 1.00 29.86 C ATOM 265 OH TYR A 28 14.983 10.639 81.422 1.00 33.25 O ATOM 266 HH TYR A 28 15.612 9.902 81.624 1.00 0.00 H ATOM 267 H TYR A 28 16.481 17.322 80.933 1.00 0.00 H ATOM 268 N GLY A 29 20.288 17.469 80.706 1.00 30.52 N ATOM 269 CA GLY A 29 21.157 18.518 80.207 1.00 31.60 C ATOM 270 C GLY A 29 21.563 18.321 78.758 1.00 30.31 C ATOM 271 O GLY A 29 21.804 19.287 78.038 1.00 32.75 O ATOM 272 H GLY A 29 20.600 16.884 81.508 1.00 0.00 H ATOM 273 N GLU A 30 21.625 17.066 78.327 1.00 27.69 N ATOM 274 CA GLU A 30 22.130 16.736 77.002 1.00 28.79 C ATOM 275 C GLU A 30 21.017 16.575 75.968 1.00 22.69 C ATOM 276 O GLU A 30 21.273 16.201 74.827 1.00 22.37 O ATOM 277 CB GLU A 30 22.963 15.450 77.064 1.00 35.91 C ATOM 278 CG GLU A 30 22.138 14.163 77.142 1.00 41.12 C ATOM 279 CD GLU A 30 21.734 13.772 78.560 1.00 45.16 C ATOM 280 OE1 GLU A 30 21.532 14.669 79.409 1.00 45.29 O ATOM 281 OE2 GLU A 30 21.609 12.553 78.817 1.00 47.24 O ATOM 282 H GLU A 30 21.304 16.299 78.952 1.00 0.00 H ATOM 283 N SER A 31 19.783 16.866 76.356 1.00 18.59 N ATOM 284 CA SER A 31 18.659 16.625 75.457 1.00 16.61 C ATOM 285 C SER A 31 18.541 17.661 74.347 1.00 15.46 C ATOM 286 O SER A 31 18.911 18.831 74.507 1.00 15.62 O ATOM 287 CB SER A 31 17.345 16.578 76.243 1.00 20.44 C ATOM 288 OG SER A 31 17.015 17.853 76.758 1.00 23.48 O ATOM 289 HG SER A 31 17.736 18.160 77.363 1.00 0.00 H ATOM 290 H SER A 31 19.616 17.266 77.301 1.00 0.00 H ATOM 291 N VAL A 32 18.032 17.209 73.207 1.00 12.74 N ATOM 292 CA VAL A 32 17.569 18.105 72.156 1.00 11.92 C ATOM 293 C VAL A 32 16.046 18.077 72.191 1.00 10.64 C ATOM 294 O VAL A 32 15.444 17.015 72.088 1.00 13.00 O ATOM 295 CB VAL A 32 18.099 17.691 70.768 1.00 12.68 C ATOM 296 CG1 VAL A 32 17.378 18.442 69.649 1.00 14.25 C ATOM 297 CG2 VAL A 32 19.608 17.917 70.704 1.00 14.45 C ATOM 298 H VAL A 32 17.962 16.182 73.060 1.00 0.00 H ATOM 299 N LEU A 33 15.442 19.244 72.386 1.00 10.91 N ATOM 300 CA LEU A 33 13.990 19.395 72.426 1.00 10.15 C ATOM 301 C LEU A 33 13.466 19.702 71.028 1.00 9.58 C ATOM 302 O LEU A 33 13.978 20.611 70.367 1.00 10.98 O ATOM 303 CB LEU A 33 13.596 20.521 73.383 1.00 11.64 C ATOM 304 CG LEU A 33 12.128 20.954 73.413 1.00 10.58 C ATOM 305 CD1 LEU A 33 11.207 19.815 73.882 1.00 11.89 C ATOM 306 CD2 LEU A 33 11.985 22.205 74.294 1.00 12.48 C ATOM 307 H LEU A 33 16.032 20.091 72.516 1.00 0.00 H ATOM 308 N VAL A 34 12.450 18.964 70.577 1.00 9.53 N ATOM 309 CA VAL A 34 11.851 19.228 69.278 1.00 9.58 C ATOM 310 C VAL A 34 10.721 20.238 69.388 1.00 10.17 C ATOM 311 O VAL A 34 9.837 20.113 70.243 1.00 11.27 O ATOM 312 CB VAL A 34 11.345 17.923 68.629 1.00 9.72 C ATOM 313 CG1 VAL A 34 10.450 18.214 67.417 1.00 10.19 C ATOM 314 CG2 VAL A 34 12.531 17.040 68.249 1.00 11.12 C ATOM 315 H VAL A 34 12.081 18.188 71.163 1.00 0.00 H ATOM 316 N ASN A 35 10.777 21.249 68.523 1.00 10.19 N ATOM 317 CA ASN A 35 9.676 22.173 68.347 1.00 10.45 C ATOM 318 C ASN A 35 8.884 21.809 67.092 1.00 9.95 C ATOM 319 O ASN A 35 9.461 21.634 66.029 1.00 11.65 O ATOM 320 CB ASN A 35 10.183 23.613 68.237 1.00 11.31 C ATOM 321 CG ASN A 35 9.053 24.595 68.113 1.00 11.98 C ATOM 322 OD1 ASN A 35 7.949 24.331 68.597 1.00 12.89 O ATOM 323 ND2 ASN A 35 9.297 25.712 67.442 1.00 14.13 N ATOM 324 HD22 ASN A 35 10.245 25.888 67.053 1.00 0.00 H ATOM 325 HD21 ASN A 35 8.540 26.412 67.305 1.00 0.00 H ATOM 326 H ASN A 35 11.639 21.379 67.956 1.00 0.00 H ATOM 327 N ALA A 36 7.568 21.676 67.222 1.00 9.10 N ATOM 328 CA ALA A 36 6.698 21.437 66.071 1.00 9.83 C ATOM 329 C ALA A 36 6.358 22.783 65.436 1.00 9.92 C ATOM 330 O ALA A 36 5.509 23.531 65.939 1.00 9.95 O ATOM 331 CB ALA A 36 5.437 20.688 66.486 1.00 10.31 C ATOM 332 H ALA A 36 7.145 21.744 68.170 1.00 0.00 H ATOM 333 N ALA A 37 7.037 23.086 64.333 1.00 9.69 N ATOM 334 CA ALA A 37 7.023 24.429 63.760 1.00 9.89 C ATOM 335 C ALA A 37 6.330 24.483 62.404 1.00 9.86 C ATOM 336 O ALA A 37 5.871 23.468 61.877 1.00 11.39 O ATOM 337 CB ALA A 37 8.457 24.951 63.624 1.00 11.54 C ATOM 338 H ALA A 37 7.595 22.344 63.864 1.00 0.00 H ATOM 339 N ASN A 38 6.270 25.683 61.840 1.00 10.90 N ATOM 340 CA ASN A 38 5.821 25.876 60.465 1.00 9.93 C ATOM 341 C ASN A 38 6.974 26.381 59.593 1.00 10.15 C ATOM 342 O ASN A 38 8.074 26.635 60.089 1.00 10.74 O ATOM 343 CB ASN A 38 4.625 26.834 60.404 1.00 11.23 C ATOM 344 CG ASN A 38 4.872 28.143 61.138 1.00 13.60 C ATOM 345 OD1 ASN A 38 6.008 28.528 61.387 1.00 17.58 O ATOM 346 ND2 ASN A 38 3.799 28.839 61.469 1.00 14.82 N ATOM 347 HD22 ASN A 38 2.852 28.476 61.239 1.00 0.00 H ATOM 348 HD21 ASN A 38 3.901 29.750 61.960 1.00 0.00 H ATOM 349 H ASN A 38 6.553 26.514 62.397 1.00 0.00 H ATOM 350 N THR A 39 6.730 26.511 58.292 1.00 10.82 N ATOM 351 CA THR A 39 7.814 26.809 57.356 1.00 12.17 C ATOM 352 C THR A 39 8.517 28.136 57.633 1.00 11.81 C ATOM 353 O THR A 39 9.698 28.270 57.341 1.00 13.13 O ATOM 354 CB THR A 39 7.316 26.812 55.900 1.00 13.59 C ATOM 355 OG1 THR A 39 6.255 27.763 55.756 1.00 15.51 O ATOM 356 CG2 THR A 39 6.821 25.419 55.497 1.00 13.40 C ATOM 357 HG1 THR A 39 6.588 28.665 55.992 1.00 0.00 H ATOM 358 H THR A 39 5.759 26.400 57.937 1.00 0.00 H ATOM 359 N HIS A 40 7.808 29.103 58.211 1.00 11.77 N ATOM 360 CA HIS A 40 8.417 30.403 58.482 1.00 12.18 C ATOM 361 C HIS A 40 8.814 30.581 59.944 1.00 11.46 C ATOM 362 O HIS A 40 9.208 31.679 60.357 1.00 12.99 O ATOM 363 CB HIS A 40 7.471 31.532 58.064 1.00 15.67 C ATOM 364 CG HIS A 40 7.332 31.685 56.582 1.00 19.14 C ATOM 365 ND1 HIS A 40 6.778 30.711 55.783 1.00 22.35 N ATOM 366 CD2 HIS A 40 7.672 32.702 55.755 1.00 22.21 C ATOM 367 CE1 HIS A 40 6.782 31.120 54.525 1.00 22.90 C ATOM 368 NE2 HIS A 40 7.323 32.322 54.481 1.00 24.08 N ATOM 369 H HIS A 40 6.816 28.932 58.471 1.00 0.00 H ATOM 370 N LEU A 41 8.727 29.497 60.716 1.00 10.57 N ATOM 371 CA LEU A 41 9.052 29.523 62.148 1.00 10.16 C ATOM 372 C LEU A 41 8.349 30.670 62.870 1.00 11.49 C ATOM 373 O LEU A 41 8.960 31.375 63.677 1.00 13.22 O ATOM 374 CB LEU A 41 10.571 29.605 62.368 1.00 10.90 C ATOM 375 CG LEU A 41 11.433 28.511 61.716 1.00 11.57 C ATOM 376 CD1 LEU A 41 12.906 28.722 62.056 1.00 12.96 C ATOM 377 CD2 LEU A 41 10.967 27.118 62.153 1.00 12.84 C ATOM 378 H LEU A 41 8.418 28.601 60.288 1.00 0.00 H ATOM 379 N LYS A 42 7.066 30.846 62.563 1.00 11.39 N ATOM 380 CA LYS A 42 6.222 31.825 63.234 1.00 12.30 C ATOM 381 C LYS A 42 5.392 31.071 64.259 1.00 11.31 C ATOM 382 O LYS A 42 4.437 30.376 63.922 1.00 13.77 O ATOM 383 CB LYS A 42 5.326 32.558 62.232 1.00 14.65 C ATOM 384 CG LYS A 42 6.062 33.536 61.345 1.00 18.07 C ATOM 385 CD LYS A 42 6.717 34.615 62.185 1.00 24.01 C ATOM 386 CE LYS A 42 7.380 35.684 61.332 1.00 28.99 C ATOM 387 NZ LYS A 42 7.920 36.775 62.189 1.00 30.53 N ATOM 388 HZ1 LYS A 42 7.143 37.207 62.729 1.00 0.00 H ATOM 389 HZ2 LYS A 42 8.624 36.382 62.846 1.00 0.00 H ATOM 390 HZ3 LYS A 42 8.369 37.496 61.589 1.00 0.00 H ATOM 391 H LYS A 42 6.649 30.260 61.812 1.00 0.00 H ATOM 392 N HIS A 43 5.769 31.190 65.520 1.00 11.88 N ATOM 393 CA HIS A 43 5.319 30.229 66.515 1.00 13.83 C ATOM 394 C HIS A 43 3.939 30.556 67.085 1.00 16.36 C ATOM 395 O HIS A 43 3.725 31.633 67.636 1.00 25.21 O ATOM 396 CB HIS A 43 6.395 30.124 67.608 1.00 17.99 C ATOM 397 CG HIS A 43 7.763 29.807 67.065 1.00 17.85 C ATOM 398 ND1 HIS A 43 8.004 28.735 66.228 1.00 15.29 N ATOM 399 CD2 HIS A 43 8.951 30.442 67.214 1.00 18.65 C ATOM 400 CE1 HIS A 43 9.286 28.712 65.903 1.00 19.03 C ATOM 401 NE2 HIS A 43 9.881 29.741 66.483 1.00 18.54 N ATOM 402 H HIS A 43 6.390 31.975 65.802 1.00 0.00 H ATOM 403 N GLY A 44 3.014 29.607 66.941 1.00 12.07 N ATOM 404 CA GLY A 44 1.630 29.777 67.347 1.00 12.90 C ATOM 405 C GLY A 44 1.339 29.234 68.735 1.00 12.05 C ATOM 406 O GLY A 44 2.261 29.014 69.514 1.00 13.51 O ATOM 407 H GLY A 44 3.297 28.701 66.517 1.00 0.00 H ATOM 408 N GLY A 45 0.065 29.006 69.038 1.00 12.11 N ATOM 409 CA GLY A 45 -0.358 28.643 70.380 1.00 13.10 C ATOM 410 C GLY A 45 -0.088 27.219 70.836 1.00 12.34 C ATOM 411 O GLY A 45 -0.431 26.862 71.969 1.00 14.33 O ATOM 412 H GLY A 45 -0.653 29.090 68.290 1.00 0.00 H ATOM 413 N GLY A 46 0.511 26.398 69.973 1.00 11.32 N ATOM 414 CA GLY A 46 0.880 25.038 70.346 1.00 11.04 C ATOM 415 C GLY A 46 2.184 24.988 71.128 1.00 10.16 C ATOM 416 O GLY A 46 2.559 25.964 71.794 1.00 10.74 O ATOM 417 H GLY A 46 0.720 26.736 69.012 1.00 0.00 H ATOM 418 N ILE A 47 2.908 23.874 71.032 1.00 9.82 N ATOM 419 CA ILE A 47 4.149 23.776 71.790 1.00 10.74 C ATOM 420 C ILE A 47 5.144 24.879 71.378 1.00 10.79 C ATOM 421 O ILE A 47 5.916 25.352 72.209 1.00 11.51 O ATOM 422 CB ILE A 47 4.822 22.370 71.664 1.00 11.76 C ATOM 423 CG1 ILE A 47 5.961 22.244 72.688 1.00 13.29 C ATOM 424 CG2 ILE A 47 5.313 22.083 70.242 1.00 12.39 C ATOM 425 CD1 ILE A 47 6.616 20.869 72.744 1.00 14.74 C ATOM 426 H ILE A 47 2.593 23.089 70.427 1.00 0.00 H ATOM 427 N ALA A 48 5.096 25.317 70.121 1.00 10.48 N ATOM 428 CA ALA A 48 5.963 26.404 69.660 1.00 9.99 C ATOM 429 C ALA A 48 5.774 27.664 70.494 1.00 10.85 C ATOM 430 O ALA A 48 6.747 28.338 70.836 1.00 11.39 O ATOM 431 CB ALA A 48 5.710 26.696 68.193 1.00 9.37 C ATOM 432 H ALA A 48 4.430 24.879 69.454 1.00 0.00 H ATOM 433 N GLY A 49 4.529 27.986 70.816 1.00 10.46 N ATOM 434 CA GLY A 49 4.260 29.145 71.652 1.00 11.84 C ATOM 435 C GLY A 49 4.708 28.966 73.088 1.00 11.27 C ATOM 436 O GLY A 49 5.166 29.924 73.720 1.00 12.63 O ATOM 437 H GLY A 49 3.739 27.406 70.468 1.00 0.00 H ATOM 438 N ALA A 50 4.571 27.747 73.610 1.00 11.32 N ATOM 439 CA ALA A 50 5.024 27.455 74.965 1.00 10.54 C ATOM 440 C ALA A 50 6.540 27.587 75.052 1.00 11.24 C ATOM 441 O ALA A 50 7.082 28.153 76.009 1.00 12.98 O ATOM 442 CB ALA A 50 4.579 26.060 75.395 1.00 11.98 C ATOM 443 H ALA A 50 4.134 26.993 73.042 1.00 0.00 H ATOM 444 N ILE A 51 7.230 27.062 74.047 1.00 10.62 N ATOM 445 CA ILE A 51 8.680 27.162 73.982 1.00 12.20 C ATOM 446 C ILE A 51 9.106 28.626 73.877 1.00 10.95 C ATOM 447 O ILE A 51 9.977 29.097 74.616 1.00 12.52 O ATOM 448 CB ILE A 51 9.216 26.357 72.794 1.00 10.97 C ATOM 449 CG1 ILE A 51 9.145 24.856 73.112 1.00 11.62 C ATOM 450 CG2 ILE A 51 10.631 26.808 72.414 1.00 12.62 C ATOM 451 CD1 ILE A 51 9.456 23.973 71.925 1.00 13.18 C ATOM 452 H ILE A 51 6.721 26.567 73.287 1.00 0.00 H ATOM 453 N ASN A 52 8.466 29.370 72.980 1.00 11.06 N ATOM 454 CA ASN A 52 8.809 30.779 72.839 1.00 11.55 C ATOM 455 C ASN A 52 8.548 31.563 74.125 1.00 12.98 C ATOM 456 O ASN A 52 9.373 32.388 74.530 1.00 13.30 O ATOM 457 CB ASN A 52 8.040 31.410 71.682 1.00 11.31 C ATOM 458 CG ASN A 52 8.444 32.852 71.457 1.00 11.84 C ATOM 459 OD1 ASN A 52 9.631 33.162 71.350 1.00 12.23 O ATOM 460 ND2 ASN A 52 7.469 33.740 71.423 1.00 14.59 N ATOM 461 HD22 ASN A 52 6.481 33.431 71.518 1.00 0.00 H ATOM 462 HD21 ASN A 52 7.689 34.749 71.302 1.00 0.00 H ATOM 463 H ASN A 52 7.726 28.949 72.383 1.00 0.00 H ATOM 464 N ALA A 53 7.410 31.312 74.762 1.00 12.60 N ATOM 465 CA ALA A 53 7.065 32.024 75.993 1.00 12.82 C ATOM 466 C ALA A 53 8.083 31.736 77.086 1.00 14.05 C ATOM 467 O ALA A 53 8.491 32.646 77.812 1.00 15.44 O ATOM 468 CB ALA A 53 5.653 31.657 76.470 1.00 13.77 C ATOM 469 H ALA A 53 6.755 30.600 74.381 1.00 0.00 H ATOM 470 N ALA A 54 8.511 30.479 77.184 1.00 14.33 N ATOM 471 CA ALA A 54 9.511 30.088 78.173 1.00 15.36 C ATOM 472 C ALA A 54 10.831 30.811 77.932 1.00 15.65 C ATOM 473 O ALA A 54 11.581 31.069 78.872 1.00 19.18 O ATOM 474 CB ALA A 54 9.720 28.590 78.152 1.00 16.71 C ATOM 475 H ALA A 54 8.124 29.759 76.541 1.00 0.00 H ATOM 476 N SER A 55 11.105 31.140 76.671 1.00 15.02 N ATOM 477 CA SER A 55 12.351 31.812 76.307 1.00 14.30 C ATOM 478 C SER A 55 12.221 33.333 76.335 1.00 14.76 C ATOM 479 O SER A 55 13.137 34.042 75.906 1.00 16.45 O ATOM 480 CB SER A 55 12.803 31.376 74.919 1.00 14.13 C ATOM 481 OG SER A 55 12.025 32.001 73.901 1.00 13.15 O ATOM 482 HG SER A 55 11.073 31.753 74.015 1.00 0.00 H ATOM 483 H SER A 55 10.415 30.913 75.927 1.00 0.00 H ATOM 484 N LYS A 56 11.080 33.826 76.813 1.00 15.84 N ATOM 485 CA LYS A 56 10.822 35.268 76.874 1.00 17.98 C ATOM 486 C LYS A 56 10.937 35.928 75.498 1.00 16.45 C ATOM 487 O LYS A 56 11.374 37.074 75.383 1.00 16.77 O ATOM 488 CB LYS A 56 11.783 35.948 77.858 1.00 23.05 C ATOM 489 CG LYS A 56 11.745 35.370 79.254 1.00 28.62 C ATOM 490 CD LYS A 56 10.325 35.325 79.768 1.00 33.19 C ATOM 491 CE LYS A 56 10.292 35.324 81.282 1.00 37.63 C ATOM 492 NZ LYS A 56 8.896 35.456 81.793 1.00 40.09 N ATOM 493 HZ1 LYS A 56 8.487 36.349 81.453 1.00 0.00 H ATOM 494 HZ2 LYS A 56 8.325 34.658 81.448 1.00 0.00 H ATOM 495 HZ3 LYS A 56 8.907 35.452 82.833 1.00 0.00 H ATOM 496 H LYS A 56 10.350 33.168 77.153 1.00 0.00 H ATOM 497 N GLY A 57 10.546 35.199 74.459 1.00 13.53 N ATOM 498 CA GLY A 57 10.553 35.724 73.107 1.00 13.37 C ATOM 499 C GLY A 57 11.872 35.563 72.372 1.00 12.30 C ATOM 500 O GLY A 57 11.977 35.934 71.200 1.00 13.31 O ATOM 501 H GLY A 57 10.225 34.223 74.620 1.00 0.00 H ATOM 502 N ALA A 58 12.888 35.024 73.039 1.00 12.20 N ATOM 503 CA ALA A 58 14.188 34.842 72.389 1.00 11.36 C ATOM 504 C ALA A 58 14.096 33.857 71.214 1.00 11.22 C ATOM 505 O ALA A 58 14.753 34.047 70.191 1.00 11.47 O ATOM 506 CB ALA A 58 15.232 34.367 73.394 1.00 11.95 C ATOM 507 H ALA A 58 12.759 34.730 74.028 1.00 0.00 H ATOM 508 N VAL A 59 13.294 32.805 71.359 1.00 11.22 N ATOM 509 CA VAL A 59 13.188 31.812 70.293 1.00 10.34 C ATOM 510 C VAL A 59 12.572 32.426 69.039 1.00 10.39 C ATOM 511 O VAL A 59 13.049 32.181 67.933 1.00 10.62 O ATOM 512 CB VAL A 59 12.373 30.585 70.750 1.00 11.05 C ATOM 513 CG1 VAL A 59 11.971 29.717 69.560 1.00 11.70 C ATOM 514 CG2 VAL A 59 13.201 29.769 71.735 1.00 13.02 C ATOM 515 H VAL A 59 12.742 32.690 72.233 1.00 0.00 H ATOM 516 N GLN A 60 11.541 33.249 69.196 1.00 10.45 N ATOM 517 CA GLN A 60 10.921 33.853 68.026 1.00 10.94 C ATOM 518 C GLN A 60 11.879 34.821 67.338 1.00 10.85 C ATOM 519 O GLN A 60 11.963 34.856 66.113 1.00 11.09 O ATOM 520 CB GLN A 60 9.631 34.571 68.399 1.00 12.20 C ATOM 521 CG GLN A 60 8.874 35.082 67.181 1.00 12.91 C ATOM 522 CD GLN A 60 8.479 33.951 66.260 1.00 13.04 C ATOM 523 OE1 GLN A 60 7.584 33.172 66.580 1.00 14.87 O ATOM 524 NE2 GLN A 60 9.150 33.846 65.106 1.00 12.65 N ATOM 525 HE22 GLN A 60 9.900 34.529 64.877 1.00 0.00 H ATOM 526 HE21 GLN A 60 8.921 33.082 64.439 1.00 0.00 H ATOM 527 H GLN A 60 11.180 33.460 70.148 1.00 0.00 H ATOM 528 N LYS A 61 12.624 35.596 68.120 1.00 10.12 N ATOM 529 CA LYS A 61 13.570 36.531 67.526 1.00 10.47 C ATOM 530 C LYS A 61 14.680 35.770 66.804 1.00 10.20 C ATOM 531 O LYS A 61 15.050 36.116 65.676 1.00 11.78 O ATOM 532 CB LYS A 61 14.162 37.464 68.582 1.00 13.30 C ATOM 533 CG LYS A 61 15.077 38.541 68.001 1.00 16.24 C ATOM 534 CD LYS A 61 14.331 39.425 66.992 1.00 22.74 C ATOM 535 CE LYS A 61 15.088 40.719 66.697 1.00 30.86 C ATOM 536 NZ LYS A 61 15.957 40.622 65.482 1.00 36.12 N ATOM 537 HZ1 LYS A 61 16.660 39.868 65.619 1.00 0.00 H ATOM 538 HZ2 LYS A 61 15.369 40.403 64.653 1.00 0.00 H ATOM 539 HZ3 LYS A 61 16.444 41.528 65.333 1.00 0.00 H ATOM 540 H LYS A 61 12.532 35.535 69.154 1.00 0.00 H ATOM 541 N GLU A 62 15.209 34.728 67.446 1.00 9.63 N ATOM 542 CA GLU A 62 16.230 33.892 66.824 1.00 10.24 C ATOM 543 C GLU A 62 15.710 33.279 65.525 1.00 10.12 C ATOM 544 O GLU A 62 16.412 33.278 64.505 1.00 11.25 O ATOM 545 CB GLU A 62 16.674 32.790 67.781 1.00 11.24 C ATOM 546 CG GLU A 62 17.724 31.869 67.200 1.00 11.64 C ATOM 547 CD GLU A 62 18.032 30.696 68.097 1.00 13.01 C ATOM 548 OE1 GLU A 62 17.173 30.339 68.936 1.00 14.43 O ATOM 549 OE2 GLU A 62 19.139 30.135 67.978 1.00 13.73 O ATOM 550 H GLU A 62 14.887 34.507 68.410 1.00 0.00 H ATOM 551 N SER A 63 14.476 32.773 65.569 1.00 10.37 N ATOM 552 CA SER A 63 13.825 32.211 64.389 1.00 10.81 C ATOM 553 C SER A 63 13.713 33.229 63.257 1.00 11.55 C ATOM 554 O SER A 63 13.961 32.905 62.087 1.00 12.46 O ATOM 555 CB SER A 63 12.432 31.684 64.754 1.00 11.68 C ATOM 556 OG SER A 63 12.530 30.600 65.672 1.00 12.27 O ATOM 557 HG SER A 63 11.622 30.275 65.895 1.00 0.00 H ATOM 558 H SER A 63 13.961 32.779 66.473 1.00 0.00 H ATOM 559 N ASP A 64 13.335 34.455 63.602 1.00 11.26 N ATOM 560 CA ASP A 64 13.192 35.514 62.610 1.00 12.57 C ATOM 561 C ASP A 64 14.523 35.799 61.928 1.00 10.57 C ATOM 562 O ASP A 64 14.586 35.990 60.710 1.00 12.71 O ATOM 563 CB ASP A 64 12.672 36.804 63.245 1.00 13.90 C ATOM 564 CG ASP A 64 11.227 36.714 63.696 1.00 18.45 C ATOM 565 OD1 ASP A 64 10.508 35.772 63.297 1.00 18.41 O ATOM 566 OD2 ASP A 64 10.806 37.628 64.436 1.00 21.75 O ATOM 567 H ASP A 64 13.137 34.664 64.601 1.00 0.00 H ATOM 568 N GLU A 65 15.594 35.841 62.710 1.00 11.90 N ATOM 569 CA GLU A 65 16.903 36.098 62.125 1.00 11.65 C ATOM 570 C GLU A 65 17.346 34.960 61.217 1.00 11.88 C ATOM 571 O GLU A 65 17.908 35.200 60.145 1.00 12.62 O ATOM 572 CB GLU A 65 17.946 36.340 63.204 1.00 12.44 C ATOM 573 CG GLU A 65 17.662 37.542 64.049 1.00 13.80 C ATOM 574 CD GLU A 65 18.883 37.974 64.811 1.00 18.13 C ATOM 575 OE1 GLU A 65 19.998 38.031 64.241 1.00 19.45 O ATOM 576 OE2 GLU A 65 18.726 38.261 65.990 1.00 20.75 O ATOM 577 H GLU A 65 15.499 35.691 63.735 1.00 0.00 H ATOM 578 N TYR A 66 17.083 33.720 61.631 1.00 11.95 N ATOM 579 CA TYR A 66 17.427 32.582 60.798 1.00 13.07 C ATOM 580 C TYR A 66 16.675 32.642 59.465 1.00 11.82 C ATOM 581 O TYR A 66 17.272 32.457 58.393 1.00 13.47 O ATOM 582 CB TYR A 66 17.131 31.255 61.515 1.00 13.55 C ATOM 583 CG TYR A 66 17.269 30.101 60.561 1.00 13.27 C ATOM 584 CD1 TYR A 66 18.513 29.564 60.272 1.00 15.52 C ATOM 585 CD2 TYR A 66 16.159 29.587 59.898 1.00 14.66 C ATOM 586 CE1 TYR A 66 18.646 28.528 59.364 1.00 16.94 C ATOM 587 CE2 TYR A 66 16.284 28.561 58.988 1.00 18.30 C ATOM 588 CZ TYR A 66 17.525 28.034 58.729 1.00 19.29 C ATOM 589 OH TYR A 66 17.638 27.013 57.816 1.00 23.54 O ATOM 590 HH TYR A 66 18.588 26.743 57.740 1.00 0.00 H ATOM 591 H TYR A 66 16.630 33.568 62.554 1.00 0.00 H ATOM 592 N ILE A 67 15.370 32.895 59.524 1.00 12.79 N ATOM 593 CA ILE A 67 14.559 32.911 58.312 1.00 13.81 C ATOM 594 C ILE A 67 14.934 34.088 57.395 1.00 14.67 C ATOM 595 O ILE A 67 14.937 33.948 56.169 1.00 16.02 O ATOM 596 CB ILE A 67 13.057 32.944 58.659 1.00 15.55 C ATOM 597 CG1 ILE A 67 12.643 31.641 59.359 1.00 16.28 C ATOM 598 CG2 ILE A 67 12.201 33.147 57.412 1.00 18.26 C ATOM 599 CD1 ILE A 67 12.692 30.390 58.467 1.00 15.92 C ATOM 600 H ILE A 67 14.924 33.083 60.444 1.00 0.00 H ATOM 601 N LEU A 68 15.298 35.229 57.973 1.00 14.84 N ATOM 602 CA LEU A 68 15.786 36.339 57.161 1.00 16.41 C ATOM 603 C LEU A 68 17.033 35.925 56.381 1.00 17.61 C ATOM 604 O LEU A 68 17.189 36.264 55.207 1.00 19.23 O ATOM 605 CB LEU A 68 16.093 37.556 58.039 1.00 17.66 C ATOM 606 CG LEU A 68 16.561 38.821 57.306 1.00 20.67 C ATOM 607 CD1 LEU A 68 15.483 39.309 56.347 1.00 23.62 C ATOM 608 CD2 LEU A 68 16.940 39.914 58.293 1.00 22.55 C ATOM 609 H LEU A 68 15.235 35.330 59.006 1.00 0.00 H ATOM 610 N ALA A 69 17.914 35.176 57.033 1.00 15.87 N ATOM 611 CA ALA A 69 19.189 34.794 56.431 1.00 17.08 C ATOM 612 C ALA A 69 19.070 33.657 55.418 1.00 18.03 C ATOM 613 O ALA A 69 19.741 33.668 54.382 1.00 20.53 O ATOM 614 CB ALA A 69 20.180 34.407 57.525 1.00 18.25 C ATOM 615 H ALA A 69 17.691 34.853 57.996 1.00 0.00 H ATOM 616 N LYS A 70 18.226 32.672 55.718 1.00 17.17 N ATOM 617 CA LYS A 70 18.224 31.432 54.949 1.00 18.17 C ATOM 618 C LYS A 70 16.930 31.179 54.192 1.00 18.30 C ATOM 619 O LYS A 70 16.866 30.273 53.367 1.00 20.59 O ATOM 620 CB LYS A 70 18.517 30.253 55.879 1.00 18.89 C ATOM 621 CG LYS A 70 19.881 30.335 56.561 1.00 21.76 C ATOM 622 CD LYS A 70 21.012 30.256 55.550 1.00 24.72 C ATOM 623 CE LYS A 70 21.045 28.896 54.894 1.00 27.27 C ATOM 624 NZ LYS A 70 22.215 28.753 53.982 1.00 30.85 N ATOM 625 HZ1 LYS A 70 22.162 29.476 53.236 1.00 0.00 H ATOM 626 HZ2 LYS A 70 23.093 28.877 54.525 1.00 0.00 H ATOM 627 HZ3 LYS A 70 22.203 27.807 53.551 1.00 0.00 H ATOM 628 H LYS A 70 17.561 32.788 56.509 1.00 0.00 H ATOM 629 N GLY A 71 15.906 31.978 54.464 1.00 17.91 N ATOM 630 CA GLY A 71 14.606 31.776 53.851 1.00 17.57 C ATOM 631 C GLY A 71 13.800 30.695 54.551 1.00 16.90 C ATOM 632 O GLY A 71 14.311 30.007 55.433 1.00 16.69 O ATOM 633 H GLY A 71 16.038 32.765 55.130 1.00 0.00 H ATOM 634 N PRO A 72 12.530 30.533 54.157 1.00 16.68 N ATOM 635 CA PRO A 72 11.654 29.542 54.792 1.00 16.51 C ATOM 636 C PRO A 72 12.148 28.108 54.611 1.00 16.42 C ATOM 637 O PRO A 72 12.823 27.781 53.621 1.00 17.28 O ATOM 638 CB PRO A 72 10.316 29.729 54.066 1.00 18.45 C ATOM 639 CG PRO A 72 10.385 31.067 53.429 1.00 21.17 C ATOM 640 CD PRO A 72 11.831 31.310 53.122 1.00 18.84 C ATOM 641 N LEU A 73 11.802 27.263 55.572 1.00 14.72 N ATOM 642 CA LEU A 73 12.043 25.830 55.471 1.00 15.56 C ATOM 643 C LEU A 73 10.990 25.191 54.578 1.00 16.52 C ATOM 644 O LEU A 73 9.911 25.745 54.392 1.00 18.37 O ATOM 645 CB LEU A 73 12.017 25.197 56.865 1.00 16.05 C ATOM 646 CG LEU A 73 13.153 25.600 57.815 1.00 19.44 C ATOM 647 CD1 LEU A 73 12.885 25.123 59.233 1.00 21.47 C ATOM 648 CD2 LEU A 73 14.468 25.047 57.321 1.00 22.74 C ATOM 649 H LEU A 73 11.343 27.636 56.427 1.00 0.00 H ATOM 650 N GLN A 74 11.305 24.036 54.000 1.00 15.72 N ATOM 651 CA GLN A 74 10.281 23.253 53.319 1.00 15.81 C ATOM 652 C GLN A 74 9.648 22.296 54.320 1.00 14.52 C ATOM 653 O GLN A 74 10.254 21.972 55.341 1.00 14.04 O ATOM 654 CB GLN A 74 10.866 22.483 52.135 1.00 20.07 C ATOM 655 CG GLN A 74 9.858 21.635 51.347 1.00 28.04 C ATOM 656 CD GLN A 74 8.718 22.455 50.742 1.00 32.63 C ATOM 657 OE1 GLN A 74 7.730 22.774 51.417 1.00 30.59 O ATOM 658 NE2 GLN A 74 8.853 22.800 49.464 1.00 35.92 N ATOM 659 HE22 GLN A 74 9.700 22.511 48.934 1.00 0.00 H ATOM 660 HE21 GLN A 74 8.112 23.359 48.995 1.00 0.00 H ATOM 661 H GLN A 74 12.285 23.690 54.034 1.00 0.00 H ATOM 662 N VAL A 75 8.425 21.862 54.040 1.00 14.01 N ATOM 663 CA VAL A 75 7.777 20.853 54.862 1.00 12.92 C ATOM 664 C VAL A 75 8.666 19.609 54.907 1.00 13.11 C ATOM 665 O VAL A 75 9.165 19.149 53.866 1.00 14.49 O ATOM 666 CB VAL A 75 6.386 20.501 54.318 1.00 13.24 C ATOM 667 CG1 VAL A 75 5.723 19.441 55.186 1.00 14.72 C ATOM 668 CG2 VAL A 75 5.525 21.766 54.227 1.00 15.67 C ATOM 669 H VAL A 75 7.921 22.251 53.218 1.00 0.00 H ATOM 670 N GLY A 76 8.892 19.099 56.116 1.00 12.52 N ATOM 671 CA GLY A 76 9.767 17.961 56.321 1.00 13.78 C ATOM 672 C GLY A 76 11.173 18.351 56.745 1.00 14.60 C ATOM 673 O GLY A 76 11.941 17.499 57.198 1.00 16.95 O ATOM 674 H GLY A 76 8.426 19.531 56.940 1.00 0.00 H ATOM 675 N ASP A 77 11.516 19.629 56.594 1.00 13.81 N ATOM 676 CA ASP A 77 12.846 20.120 56.959 1.00 13.97 C ATOM 677 C ASP A 77 12.946 20.434 58.443 1.00 12.16 C ATOM 678 O ASP A 77 11.942 20.503 59.154 1.00 13.00 O ATOM 679 CB ASP A 77 13.214 21.394 56.191 1.00 17.93 C ATOM 680 CG ASP A 77 13.479 21.161 54.723 1.00 24.77 C ATOM 681 OD1 ASP A 77 13.671 20.001 54.306 1.00 26.02 O ATOM 682 OD2 ASP A 77 13.514 22.176 53.988 1.00 28.09 O ATOM 683 H ASP A 77 10.820 20.297 56.206 1.00 0.00 H ATOM 684 N SER A 78 14.172 20.671 58.894 1.00 12.20 N ATOM 685 CA SER A 78 14.414 21.024 60.278 1.00 12.80 C ATOM 686 C SER A 78 15.648 21.899 60.396 1.00 12.87 C ATOM 687 O SER A 78 16.488 21.912 59.505 1.00 14.81 O ATOM 688 CB SER A 78 14.576 19.775 61.138 1.00 15.93 C ATOM 689 OG SER A 78 15.640 18.969 60.667 1.00 19.43 O ATOM 690 HG SER A 78 15.455 18.691 59.735 1.00 0.00 H ATOM 691 H SER A 78 14.977 20.602 58.239 1.00 0.00 H ATOM 692 N VAL A 79 15.748 22.633 61.497 1.00 12.36 N ATOM 693 CA VAL A 79 16.947 23.416 61.771 1.00 11.07 C ATOM 694 C VAL A 79 17.240 23.364 63.262 1.00 11.15 C ATOM 695 O VAL A 79 16.338 23.522 64.095 1.00 11.47 O ATOM 696 CB VAL A 79 16.821 24.888 61.288 1.00 12.54 C ATOM 697 CG1 VAL A 79 15.609 25.589 61.911 1.00 14.10 C ATOM 698 CG2 VAL A 79 18.111 25.655 61.584 1.00 13.63 C ATOM 699 H VAL A 79 14.959 22.650 62.175 1.00 0.00 H ATOM 700 N LEU A 80 18.502 23.104 63.594 1.00 11.66 N ATOM 701 CA LEU A 80 18.934 23.066 64.978 1.00 11.69 C ATOM 702 C LEU A 80 19.348 24.470 65.426 1.00 12.79 C ATOM 703 O LEU A 80 20.262 25.075 64.849 1.00 14.57 O ATOM 704 CB LEU A 80 20.087 22.080 65.152 1.00 12.33 C ATOM 705 CG LEU A 80 20.456 21.750 66.597 1.00 12.80 C ATOM 706 CD1 LEU A 80 19.431 20.790 67.195 1.00 12.73 C ATOM 707 CD2 LEU A 80 21.863 21.199 66.688 1.00 14.76 C ATOM 708 H LEU A 80 19.197 22.923 62.841 1.00 0.00 H ATOM 709 N LEU A 81 18.651 24.997 66.427 1.00 11.73 N ATOM 710 CA LEU A 81 18.965 26.319 66.974 1.00 11.63 C ATOM 711 C LEU A 81 19.253 26.223 68.477 1.00 11.11 C ATOM 712 O LEU A 81 19.371 25.126 69.024 1.00 12.58 O ATOM 713 CB LEU A 81 17.823 27.296 66.670 1.00 12.33 C ATOM 714 CG LEU A 81 17.614 27.576 65.174 1.00 13.05 C ATOM 715 CD1 LEU A 81 16.387 28.439 64.946 1.00 14.89 C ATOM 716 CD2 LEU A 81 18.851 28.215 64.532 1.00 15.47 C ATOM 717 H LEU A 81 17.861 24.456 66.833 1.00 0.00 H ATOM 718 N GLN A 82 19.406 27.365 69.138 1.00 13.42 N ATOM 719 CA GLN A 82 19.814 27.404 70.541 1.00 14.39 C ATOM 720 C GLN A 82 18.833 26.743 71.493 1.00 15.06 C ATOM 721 O GLN A 82 17.629 26.704 71.232 1.00 14.03 O ATOM 722 CB GLN A 82 20.011 28.850 70.982 1.00 17.49 C ATOM 723 CG GLN A 82 21.441 29.256 71.119 1.00 19.58 C ATOM 724 CD GLN A 82 21.569 30.737 71.397 1.00 20.31 C ATOM 725 OE1 GLN A 82 20.567 31.452 71.507 1.00 22.34 O ATOM 726 NE2 GLN A 82 22.797 31.208 71.513 1.00 19.09 N ATOM 727 HE22 GLN A 82 23.611 30.568 71.413 1.00 0.00 H ATOM 728 HE21 GLN A 82 22.950 32.219 71.705 1.00 0.00 H ATOM 729 H GLN A 82 19.230 28.261 68.641 1.00 0.00 H ATOM 730 N GLY A 83 19.350 26.270 72.623 1.00 16.10 N ATOM 731 CA GLY A 83 18.527 25.612 73.625 1.00 16.49 C ATOM 732 C GLY A 83 17.775 26.564 74.540 1.00 16.41 C ATOM 733 O GLY A 83 16.744 26.199 75.089 1.00 17.01 O ATOM 734 H GLY A 83 20.370 26.373 72.795 1.00 0.00 H ATOM 735 N HIS A 84 18.313 27.772 74.719 1.00 15.85 N ATOM 736 CA HIS A 84 17.705 28.789 75.584 1.00 16.17 C ATOM 737 C HIS A 84 17.390 28.264 76.986 1.00 19.81 C ATOM 738 O HIS A 84 16.351 28.589 77.572 1.00 21.71 O ATOM 739 CB HIS A 84 16.442 29.350 74.919 1.00 15.79 C ATOM 740 CG HIS A 84 16.714 30.042 73.623 1.00 16.38 C ATOM 741 ND1 HIS A 84 17.151 31.348 73.554 1.00 18.62 N ATOM 742 CD2 HIS A 84 16.629 29.607 72.344 1.00 13.64 C ATOM 743 CE1 HIS A 84 17.321 31.687 72.290 1.00 17.68 C ATOM 744 NE2 HIS A 84 17.003 30.651 71.533 1.00 14.34 N ATOM 745 H HIS A 84 19.199 28.002 74.225 1.00 0.00 H ATOM 746 N SER A 85 18.305 27.450 77.505 1.00 20.73 N ATOM 747 CA SER A 85 18.190 26.841 78.836 1.00 23.45 C ATOM 748 C SER A 85 16.990 25.905 78.996 1.00 21.91 C ATOM 749 O SER A 85 16.679 25.479 80.110 1.00 23.52 O ATOM 750 CB SER A 85 18.135 27.921 79.924 1.00 28.12 C ATOM 751 OG SER A 85 19.240 28.797 79.824 1.00 31.92 O ATOM 752 HG SER A 85 19.231 29.238 78.938 1.00 0.00 H ATOM 753 H SER A 85 19.148 27.233 76.937 1.00 0.00 H ATOM 754 N LEU A 86 16.326 25.571 77.896 1.00 18.27 N ATOM 755 CA LEU A 86 15.252 24.585 77.935 1.00 18.20 C ATOM 756 C LEU A 86 15.808 23.193 77.665 1.00 18.16 C ATOM 757 O LEU A 86 15.232 22.190 78.077 1.00 21.21 O ATOM 758 CB LEU A 86 14.171 24.910 76.909 1.00 17.46 C ATOM 759 CG LEU A 86 13.538 26.301 76.957 1.00 18.91 C ATOM 760 CD1 LEU A 86 12.385 26.368 75.962 1.00 19.14 C ATOM 761 CD2 LEU A 86 13.078 26.650 78.359 1.00 18.79 C ATOM 762 H LEU A 86 16.576 26.020 76.992 1.00 0.00 H ATOM 763 N ALA A 87 16.931 23.159 76.956 1.00 16.55 N ATOM 764 CA ALA A 87 17.552 21.929 76.481 1.00 16.09 C ATOM 765 C ALA A 87 18.937 22.296 75.952 1.00 15.96 C ATOM 766 O ALA A 87 19.296 23.473 75.932 1.00 17.02 O ATOM 767 CB ALA A 87 16.703 21.272 75.393 1.00 15.74 C ATOM 768 H ALA A 87 17.394 24.062 76.727 1.00 0.00 H ATOM 769 N LYS A 88 19.714 21.312 75.514 1.00 15.77 N ATOM 770 CA LYS A 88 21.023 21.609 74.930 1.00 16.48 C ATOM 771 C LYS A 88 20.844 22.396 73.623 1.00 15.11 C ATOM 772 O LYS A 88 21.574 23.351 73.342 1.00 16.43 O ATOM 773 CB LYS A 88 21.806 20.322 74.677 1.00 18.61 C ATOM 774 CG LYS A 88 23.178 20.551 74.060 1.00 21.44 C ATOM 775 CD LYS A 88 23.962 19.249 73.912 1.00 26.79 C ATOM 776 CE LYS A 88 25.308 19.508 73.249 1.00 30.56 C ATOM 777 NZ LYS A 88 26.220 18.336 73.290 1.00 33.76 N ATOM 778 HZ1 LYS A 88 26.403 18.075 74.280 1.00 0.00 H ATOM 779 HZ2 LYS A 88 25.776 17.536 72.796 1.00 0.00 H ATOM 780 HZ3 LYS A 88 27.117 18.579 72.823 1.00 0.00 H ATOM 781 H LYS A 88 19.391 20.326 75.586 1.00 0.00 H ATOM 782 N ASN A 89 19.860 21.974 72.833 1.00 13.75 N ATOM 783 CA ASN A 89 19.468 22.662 71.611 1.00 12.82 C ATOM 784 C ASN A 89 17.985 22.442 71.372 1.00 11.59 C ATOM 785 O ASN A 89 17.398 21.524 71.944 1.00 12.36 O ATOM 786 CB ASN A 89 20.246 22.150 70.400 1.00 14.27 C ATOM 787 CG ASN A 89 21.684 22.586 70.397 1.00 15.88 C ATOM 788 OD1 ASN A 89 22.575 21.825 70.782 1.00 18.31 O ATOM 789 ND2 ASN A 89 21.925 23.816 69.946 1.00 17.37 N ATOM 790 HD22 ASN A 89 21.137 24.419 69.633 1.00 0.00 H ATOM 791 HD21 ASN A 89 22.901 24.174 69.907 1.00 0.00 H ATOM 792 H ASN A 89 19.346 21.111 73.101 1.00 0.00 H ATOM 793 N ILE A 90 17.392 23.245 70.496 1.00 10.97 N ATOM 794 CA ILE A 90 16.026 23.026 70.056 1.00 10.31 C ATOM 795 C ILE A 90 16.053 22.732 68.563 1.00 10.69 C ATOM 796 O ILE A 90 16.609 23.509 67.786 1.00 12.31 O ATOM 797 CB ILE A 90 15.134 24.251 70.361 1.00 11.36 C ATOM 798 CG1 ILE A 90 15.035 24.457 71.875 1.00 12.21 C ATOM 799 CG2 ILE A 90 13.730 24.094 69.753 1.00 10.98 C ATOM 800 CD1 ILE A 90 14.450 25.801 72.283 1.00 12.35 C ATOM 801 H ILE A 90 17.922 24.054 70.114 1.00 0.00 H ATOM 802 N LEU A 91 15.490 21.592 68.178 1.00 9.96 N ATOM 803 CA LEU A 91 15.373 21.213 66.778 1.00 9.86 C ATOM 804 C LEU A 91 13.992 21.627 66.312 1.00 9.64 C ATOM 805 O LEU A 91 12.991 21.030 66.720 1.00 10.13 O ATOM 806 CB LEU A 91 15.581 19.701 66.586 1.00 10.45 C ATOM 807 CG LEU A 91 15.535 19.190 65.144 1.00 11.36 C ATOM 808 CD1 LEU A 91 16.749 19.692 64.351 1.00 12.53 C ATOM 809 CD2 LEU A 91 15.429 17.668 65.102 1.00 13.30 C ATOM 810 H LEU A 91 15.119 20.946 68.904 1.00 0.00 H ATOM 811 N HIS A 92 13.941 22.650 65.465 1.00 9.21 N ATOM 812 CA HIS A 92 12.683 23.121 64.903 1.00 8.71 C ATOM 813 C HIS A 92 12.363 22.283 63.676 1.00 9.46 C ATOM 814 O HIS A 92 13.113 22.296 62.703 1.00 11.34 O ATOM 815 CB HIS A 92 12.784 24.609 64.553 1.00 10.12 C ATOM 816 CG HIS A 92 13.127 25.467 65.731 1.00 11.03 C ATOM 817 ND1 HIS A 92 12.168 26.106 66.485 1.00 11.82 N ATOM 818 CD2 HIS A 92 14.316 25.733 66.321 1.00 11.80 C ATOM 819 CE1 HIS A 92 12.757 26.761 67.474 1.00 13.16 C ATOM 820 NE2 HIS A 92 14.057 26.543 67.403 1.00 11.68 N ATOM 821 H HIS A 92 14.825 23.128 65.196 1.00 0.00 H ATOM 822 N VAL A 93 11.261 21.543 63.737 1.00 9.67 N ATOM 823 CA VAL A 93 10.884 20.591 62.704 1.00 10.00 C ATOM 824 C VAL A 93 9.576 21.032 62.062 1.00 10.55 C ATOM 825 O VAL A 93 8.652 21.429 62.769 1.00 12.67 O ATOM 826 CB VAL A 93 10.729 19.173 63.298 1.00 14.58 C ATOM 827 CG1 VAL A 93 10.196 18.222 62.274 1.00 18.25 C ATOM 828 CG2 VAL A 93 12.060 18.689 63.867 1.00 12.78 C ATOM 829 H VAL A 93 10.638 21.650 64.563 1.00 0.00 H ATOM 830 N VAL A 94 9.493 20.995 60.735 1.00 9.82 N ATOM 831 CA VAL A 94 8.272 21.400 60.055 1.00 9.73 C ATOM 832 C VAL A 94 7.460 20.182 59.619 1.00 9.52 C ATOM 833 O VAL A 94 7.726 19.569 58.577 1.00 10.29 O ATOM 834 CB VAL A 94 8.567 22.282 58.821 1.00 11.14 C ATOM 835 CG1 VAL A 94 7.253 22.749 58.197 1.00 12.07 C ATOM 836 CG2 VAL A 94 9.413 23.480 59.216 1.00 12.89 C ATOM 837 H VAL A 94 10.310 20.673 60.177 1.00 0.00 H ATOM 838 N GLY A 95 6.467 19.821 60.425 1.00 8.90 N ATOM 839 CA GLY A 95 5.584 18.730 60.077 1.00 8.95 C ATOM 840 C GLY A 95 4.616 19.132 58.977 1.00 9.68 C ATOM 841 O GLY A 95 4.372 20.325 58.751 1.00 9.76 O ATOM 842 H GLY A 95 6.323 20.331 61.320 1.00 0.00 H ATOM 843 N PRO A 96 4.045 18.139 58.283 1.00 9.25 N ATOM 844 CA PRO A 96 3.016 18.440 57.284 1.00 9.01 C ATOM 845 C PRO A 96 1.745 18.932 57.959 1.00 9.21 C ATOM 846 O PRO A 96 1.397 18.473 59.053 1.00 9.31 O ATOM 847 CB PRO A 96 2.782 17.095 56.589 1.00 9.96 C ATOM 848 CG PRO A 96 3.200 16.068 57.639 1.00 10.60 C ATOM 849 CD PRO A 96 4.352 16.700 58.363 1.00 9.79 C ATOM 850 N ASP A 97 1.061 19.860 57.303 1.00 10.03 N ATOM 851 CA ASP A 97 -0.191 20.407 57.788 1.00 10.23 C ATOM 852 C ASP A 97 -1.338 19.720 57.045 1.00 9.89 C ATOM 853 O ASP A 97 -1.591 20.017 55.873 1.00 10.00 O ATOM 854 CB ASP A 97 -0.197 21.924 57.587 1.00 11.51 C ATOM 855 CG ASP A 97 -1.465 22.591 58.089 1.00 11.49 C ATOM 856 OD1 ASP A 97 -2.350 21.904 58.644 1.00 11.38 O ATOM 857 OD2 ASP A 97 -1.568 23.828 57.922 1.00 14.01 O ATOM 858 H ASP A 97 1.440 20.211 56.400 1.00 0.00 H ATOM 859 N ALA A 98 -2.013 18.788 57.714 1.00 10.71 N ATOM 860 CA ALA A 98 -3.129 18.070 57.093 1.00 12.20 C ATOM 861 C ALA A 98 -4.303 18.997 56.755 1.00 11.71 C ATOM 862 O ALA A 98 -5.073 18.719 55.834 1.00 12.91 O ATOM 863 CB ALA A 98 -3.600 16.939 57.997 1.00 13.84 C ATOM 864 H ALA A 98 -1.744 18.566 58.694 1.00 0.00 H ATOM 865 N ARG A 99 -4.448 20.096 57.491 1.00 12.13 N ATOM 866 CA ARG A 99 -5.525 21.040 57.184 1.00 13.62 C ATOM 867 C ARG A 99 -5.260 21.754 55.862 1.00 14.63 C ATOM 868 O ARG A 99 -6.192 22.234 55.217 1.00 17.49 O ATOM 869 CB ARG A 99 -5.709 22.068 58.302 1.00 14.14 C ATOM 870 CG ARG A 99 -6.070 21.460 59.627 1.00 15.41 C ATOM 871 CD ARG A 99 -6.292 22.540 60.682 1.00 16.43 C ATOM 872 NE ARG A 99 -6.100 21.963 62.005 1.00 19.18 N ATOM 873 CZ ARG A 99 -7.053 21.348 62.688 1.00 20.84 C ATOM 874 NH1 ARG A 99 -8.286 21.286 62.199 1.00 21.75 N ATOM 875 NH2 ARG A 99 -6.775 20.815 63.868 1.00 21.98 N ATOM 876 HE ARG A 99 -5.158 22.038 62.439 1.00 0.00 H ATOM 877 HH12 ARG A 99 -9.035 20.803 62.736 1.00 0.00 H ATOM 878 HH11 ARG A 99 -8.503 21.721 61.279 1.00 0.00 H ATOM 879 HH22 ARG A 99 -7.520 20.331 64.408 1.00 0.00 H ATOM 880 HH21 ARG A 99 -5.812 20.881 64.254 1.00 0.00 H ATOM 881 H ARG A 99 -3.799 20.284 58.281 1.00 0.00 H ATOM 882 N ALA A 100 -3.990 21.823 55.467 1.00 12.44 N ATOM 883 CA ALA A 100 -3.598 22.408 54.191 1.00 12.95 C ATOM 884 C ALA A 100 -3.407 21.324 53.136 1.00 12.70 C ATOM 885 O ALA A 100 -2.817 21.572 52.085 1.00 14.32 O ATOM 886 CB ALA A 100 -2.323 23.222 54.348 1.00 13.48 C ATOM 887 H ALA A 100 -3.250 21.445 56.093 1.00 0.00 H ATOM 888 N LYS A 101 -3.901 20.122 53.435 1.00 12.51 N ATOM 889 CA LYS A 101 -3.877 18.990 52.501 1.00 12.24 C ATOM 890 C LYS A 101 -2.448 18.586 52.137 1.00 11.50 C ATOM 891 O LYS A 101 -2.199 18.092 51.037 1.00 13.29 O ATOM 892 CB LYS A 101 -4.675 19.315 51.223 1.00 14.48 C ATOM 893 CG LYS A 101 -6.115 19.722 51.465 1.00 17.81 C ATOM 894 CD LYS A 101 -6.848 18.682 52.266 1.00 20.45 C ATOM 895 CE LYS A 101 -8.347 18.947 52.274 1.00 25.69 C ATOM 896 NZ LYS A 101 -9.069 17.932 53.087 1.00 29.01 N ATOM 897 HZ1 LYS A 101 -8.901 16.986 52.688 1.00 0.00 H ATOM 898 HZ2 LYS A 101 -8.721 17.963 54.067 1.00 0.00 H ATOM 899 HZ3 LYS A 101 -10.088 18.139 53.073 1.00 0.00 H ATOM 900 H LYS A 101 -4.323 19.980 54.375 1.00 0.00 H ATOM 901 N GLN A 102 -1.506 18.787 53.052 1.00 10.76 N ATOM 902 CA GLN A 102 -0.132 18.377 52.798 1.00 10.85 C ATOM 903 C GLN A 102 0.068 16.876 53.042 1.00 10.98 C ATOM 904 O GLN A 102 -0.695 16.221 53.751 1.00 14.05 O ATOM 905 CB GLN A 102 0.840 19.217 53.644 1.00 10.42 C ATOM 906 CG GLN A 102 0.883 20.672 53.166 1.00 12.08 C ATOM 907 CD GLN A 102 1.740 21.581 54.020 1.00 11.11 C ATOM 908 OE1 GLN A 102 2.145 21.222 55.120 1.00 11.52 O ATOM 909 NE2 GLN A 102 2.021 22.774 53.512 1.00 13.80 N ATOM 910 HE22 GLN A 102 1.657 23.039 52.574 1.00 0.00 H ATOM 911 HE21 GLN A 102 2.605 23.444 54.051 1.00 0.00 H ATOM 912 H GLN A 102 -1.751 19.240 53.955 1.00 0.00 H ATOM 913 N ASP A 103 1.107 16.353 52.409 1.00 11.18 N ATOM 914 CA ASP A 103 1.454 14.940 52.429 1.00 12.30 C ATOM 915 C ASP A 103 1.915 14.493 53.824 1.00 11.47 C ATOM 916 O ASP A 103 3.008 14.830 54.256 1.00 11.12 O ATOM 917 CB ASP A 103 2.545 14.717 51.374 1.00 14.29 C ATOM 918 CG ASP A 103 3.051 13.304 51.312 1.00 18.67 C ATOM 919 OD1 ASP A 103 2.500 12.411 51.979 1.00 17.84 O ATOM 920 OD2 ASP A 103 4.032 13.099 50.566 1.00 24.64 O ATOM 921 H ASP A 103 1.715 16.995 51.861 1.00 0.00 H ATOM 922 N VAL A 104 1.078 13.725 54.520 1.00 11.34 N ATOM 923 CA VAL A 104 1.351 13.343 55.899 1.00 11.22 C ATOM 924 C VAL A 104 2.606 12.458 56.000 1.00 11.39 C ATOM 925 O VAL A 104 3.290 12.452 57.024 1.00 11.74 O ATOM 926 CB VAL A 104 0.105 12.643 56.509 1.00 13.92 C ATOM 927 CG1 VAL A 104 0.402 12.067 57.892 1.00 14.82 C ATOM 928 CG2 VAL A 104 -1.045 13.640 56.597 1.00 15.91 C ATOM 929 H VAL A 104 0.205 13.389 54.066 1.00 0.00 H ATOM 930 N SER A 105 2.953 11.761 54.922 1.00 12.36 N ATOM 931 CA SER A 105 4.120 10.880 54.963 1.00 12.81 C ATOM 932 C SER A 105 5.444 11.647 55.083 1.00 12.54 C ATOM 933 O SER A 105 6.485 11.047 55.340 1.00 13.97 O ATOM 934 CB SER A 105 4.142 9.963 53.735 1.00 15.74 C ATOM 935 OG SER A 105 4.502 10.664 52.556 1.00 17.68 O ATOM 936 HG SER A 105 3.847 11.388 52.391 1.00 0.00 H ATOM 937 H SER A 105 2.394 11.842 54.049 1.00 0.00 H ATOM 938 N LEU A 106 5.405 12.970 54.942 1.00 11.88 N ATOM 939 CA LEU A 106 6.593 13.785 55.189 1.00 11.16 C ATOM 940 C LEU A 106 7.030 13.736 56.659 1.00 10.78 C ATOM 941 O LEU A 106 8.144 14.133 56.993 1.00 11.19 O ATOM 942 CB LEU A 106 6.341 15.234 54.745 1.00 12.33 C ATOM 943 CG LEU A 106 6.398 15.395 53.224 1.00 12.82 C ATOM 944 CD1 LEU A 106 5.791 16.708 52.792 1.00 15.59 C ATOM 945 CD2 LEU A 106 7.838 15.293 52.717 1.00 15.92 C ATOM 946 H LEU A 106 4.518 13.430 54.652 1.00 0.00 H ATOM 947 N LEU A 107 6.170 13.227 57.537 1.00 10.79 N ATOM 948 CA LEU A 107 6.582 12.966 58.915 1.00 9.49 C ATOM 949 C LEU A 107 7.789 12.033 58.983 1.00 11.24 C ATOM 950 O LEU A 107 8.562 12.094 59.942 1.00 12.06 O ATOM 951 CB LEU A 107 5.419 12.383 59.730 1.00 11.22 C ATOM 952 CG LEU A 107 4.409 13.439 60.190 1.00 10.13 C ATOM 953 CD1 LEU A 107 3.178 12.774 60.758 1.00 12.15 C ATOM 954 CD2 LEU A 107 5.011 14.411 61.199 1.00 10.79 C ATOM 955 H LEU A 107 5.196 13.013 57.241 1.00 0.00 H ATOM 956 N SER A 108 7.968 11.181 57.974 1.00 12.44 N ATOM 957 CA SER A 108 9.137 10.295 57.965 1.00 13.41 C ATOM 958 C SER A 108 10.428 11.125 57.975 1.00 13.49 C ATOM 959 O SER A 108 11.366 10.823 58.708 1.00 13.63 O ATOM 960 CB SER A 108 9.099 9.349 56.757 1.00 18.31 C ATOM 961 OG SER A 108 9.198 10.047 55.526 1.00 24.37 O ATOM 962 HG SER A 108 8.441 10.680 55.445 1.00 0.00 H ATOM 963 H SER A 108 7.280 11.144 57.195 1.00 0.00 H ATOM 964 N LYS A 109 10.458 12.185 57.178 1.00 14.30 N ATOM 965 CA LYS A 109 11.629 13.055 57.092 1.00 13.88 C ATOM 966 C LYS A 109 11.831 13.838 58.391 1.00 13.78 C ATOM 967 O LYS A 109 12.958 14.008 58.863 1.00 14.29 O ATOM 968 CB LYS A 109 11.485 14.012 55.907 1.00 18.69 C ATOM 969 CG LYS A 109 12.750 14.749 55.554 1.00 26.84 C ATOM 970 CD LYS A 109 12.574 15.600 54.303 1.00 31.77 C ATOM 971 CE LYS A 109 13.784 16.495 54.080 1.00 35.75 C ATOM 972 NZ LYS A 109 13.693 17.264 52.818 1.00 39.29 N ATOM 973 HZ1 LYS A 109 13.628 16.605 52.016 1.00 0.00 H ATOM 974 HZ2 LYS A 109 12.846 17.868 52.842 1.00 0.00 H ATOM 975 HZ3 LYS A 109 14.541 17.857 52.713 1.00 0.00 H ATOM 976 H LYS A 109 9.623 12.403 56.597 1.00 0.00 H ATOM 977 N CYS A 110 10.728 14.302 58.972 1.00 12.95 N ATOM 978 CA CYS A 110 10.773 14.995 60.255 1.00 12.80 C ATOM 979 C CYS A 110 11.460 14.160 61.326 1.00 13.07 C ATOM 980 O CYS A 110 12.383 14.615 62.004 1.00 14.89 O ATOM 981 CB CYS A 110 9.360 15.347 60.714 1.00 13.65 C ATOM 982 SG CYS A 110 8.526 16.514 59.653 1.00 16.12 S ATOM 983 H CYS A 110 9.811 14.167 58.500 1.00 0.00 H ATOM 984 N TYR A 111 11.015 12.921 61.473 1.00 11.34 N ATOM 985 CA TYR A 111 11.527 12.094 62.553 1.00 10.62 C ATOM 986 C TYR A 111 12.933 11.550 62.251 1.00 10.83 C ATOM 987 O TYR A 111 13.736 11.381 63.172 1.00 11.65 O ATOM 988 CB TYR A 111 10.532 10.969 62.861 1.00 10.33 C ATOM 989 CG TYR A 111 9.296 11.451 63.599 1.00 9.55 C ATOM 990 CD1 TYR A 111 9.411 12.067 64.843 1.00 10.55 C ATOM 991 CD2 TYR A 111 8.016 11.274 63.072 1.00 9.02 C ATOM 992 CE1 TYR A 111 8.297 12.515 65.535 1.00 9.40 C ATOM 993 CE2 TYR A 111 6.890 11.713 63.764 1.00 9.80 C ATOM 994 CZ TYR A 111 7.039 12.327 64.997 1.00 8.81 C ATOM 995 OH TYR A 111 5.932 12.756 65.716 1.00 10.09 O ATOM 996 HH TYR A 111 5.432 13.424 65.183 1.00 0.00 H ATOM 997 H TYR A 111 10.302 12.541 60.818 1.00 0.00 H ATOM 998 N LYS A 112 13.248 11.306 60.981 1.00 11.10 N ATOM 999 CA LYS A 112 14.608 10.888 60.628 1.00 12.12 C ATOM 1000 C LYS A 112 15.644 11.927 61.070 1.00 13.63 C ATOM 1001 O LYS A 112 16.764 11.582 61.456 1.00 14.16 O ATOM 1002 CB LYS A 112 14.733 10.652 59.119 1.00 14.86 C ATOM 1003 CG LYS A 112 14.161 9.344 58.618 1.00 20.27 C ATOM 1004 CD LYS A 112 14.409 9.224 57.112 1.00 27.25 C ATOM 1005 CE LYS A 112 13.634 8.069 56.492 1.00 33.45 C ATOM 1006 NZ LYS A 112 14.111 6.740 56.972 1.00 36.09 N ATOM 1007 HZ1 LYS A 112 15.114 6.623 56.725 1.00 0.00 H ATOM 1008 HZ2 LYS A 112 13.999 6.685 58.004 1.00 0.00 H ATOM 1009 HZ3 LYS A 112 13.552 5.988 56.520 1.00 0.00 H ATOM 1010 H LYS A 112 12.528 11.412 60.238 1.00 0.00 H ATOM 1011 N ALA A 113 15.258 13.199 61.025 1.00 13.45 N ATOM 1012 CA ALA A 113 16.170 14.291 61.360 1.00 14.93 C ATOM 1013 C ALA A 113 16.607 14.244 62.816 1.00 14.70 C ATOM 1014 O ALA A 113 17.641 14.798 63.196 1.00 17.90 O ATOM 1015 CB ALA A 113 15.514 15.630 61.049 1.00 16.90 C ATOM 1016 H ALA A 113 14.282 13.422 60.744 1.00 0.00 H ATOM 1017 N MET A 114 15.822 13.573 63.640 1.00 12.27 N ATOM 1018 CA MET A 114 16.119 13.500 65.059 1.00 13.70 C ATOM 1019 C MET A 114 17.240 12.512 65.369 1.00 12.75 C ATOM 1020 O MET A 114 17.820 12.547 66.450 1.00 14.03 O ATOM 1021 CB MET A 114 14.853 13.132 65.830 1.00 15.83 C ATOM 1022 CG MET A 114 13.719 14.122 65.603 1.00 17.23 C ATOM 1023 SD MET A 114 12.219 13.731 66.519 1.00 18.63 S ATOM 1024 CE MET A 114 12.590 12.087 67.127 1.00 13.12 C ATOM 1025 H MET A 114 14.980 13.090 63.267 1.00 0.00 H ATOM 1026 N ASN A 115 17.566 11.644 64.412 1.00 12.78 N ATOM 1027 CA ASN A 115 18.557 10.597 64.667 1.00 13.64 C ATOM 1028 C ASN A 115 20.004 11.084 64.771 1.00 15.76 C ATOM 1029 O ASN A 115 20.892 10.323 65.163 1.00 17.78 O ATOM 1030 CB ASN A 115 18.443 9.508 63.595 1.00 15.31 C ATOM 1031 CG ASN A 115 17.163 8.710 63.732 1.00 13.80 C ATOM 1032 OD1 ASN A 115 16.634 8.568 64.840 1.00 14.87 O ATOM 1033 ND2 ASN A 115 16.663 8.173 62.622 1.00 15.39 N ATOM 1034 HD22 ASN A 115 17.143 8.320 61.711 1.00 0.00 H ATOM 1035 HD21 ASN A 115 15.792 7.607 62.665 1.00 0.00 H ATOM 1036 H ASN A 115 17.114 11.711 63.478 1.00 0.00 H ATOM 1037 N ALA A 116 20.233 12.358 64.463 1.00 15.27 N ATOM 1038 CA ALA A 116 21.572 12.928 64.575 1.00 16.30 C ATOM 1039 C ALA A 116 21.981 13.205 66.028 1.00 16.53 C ATOM 1040 O ALA A 116 23.147 13.493 66.299 1.00 18.48 O ATOM 1041 CB ALA A 116 21.663 14.206 63.751 1.00 17.45 C ATOM 1042 H ALA A 116 19.447 12.956 64.138 1.00 0.00 H ATOM 1043 N TYR A 117 21.034 13.113 66.961 1.00 15.92 N ATOM 1044 CA TYR A 117 21.275 13.504 68.358 1.00 15.23 C ATOM 1045 C TYR A 117 21.096 12.322 69.299 1.00 15.78 C ATOM 1046 O TYR A 117 20.187 11.519 69.106 1.00 18.23 O ATOM 1047 CB TYR A 117 20.336 14.661 68.737 1.00 15.53 C ATOM 1048 CG TYR A 117 20.320 15.678 67.632 1.00 13.97 C ATOM 1049 CD1 TYR A 117 21.400 16.530 67.447 1.00 15.11 C ATOM 1050 CD2 TYR A 117 19.271 15.741 66.727 1.00 15.28 C ATOM 1051 CE1 TYR A 117 21.422 17.427 66.414 1.00 15.01 C ATOM 1052 CE2 TYR A 117 19.283 16.635 65.682 1.00 15.58 C ATOM 1053 CZ TYR A 117 20.361 17.482 65.530 1.00 15.15 C ATOM 1054 OH TYR A 117 20.392 18.380 64.494 1.00 17.04 O ATOM 1055 HH TYR A 117 21.232 18.903 64.537 1.00 0.00 H ATOM 1056 H TYR A 117 20.096 12.754 66.693 1.00 0.00 H ATOM 1057 N PRO A 118 21.959 12.212 70.323 1.00 16.24 N ATOM 1058 CA PRO A 118 21.920 11.027 71.187 1.00 15.50 C ATOM 1059 C PRO A 118 20.686 10.928 72.091 1.00 14.81 C ATOM 1060 O PRO A 118 20.324 9.826 72.507 1.00 16.62 O ATOM 1061 CB PRO A 118 23.199 11.168 72.030 1.00 17.94 C ATOM 1062 CG PRO A 118 23.534 12.621 71.977 1.00 20.31 C ATOM 1063 CD PRO A 118 23.104 13.089 70.626 1.00 17.81 C ATOM 1064 N LEU A 119 20.064 12.058 72.400 1.00 14.31 N ATOM 1065 CA LEU A 119 18.874 12.091 73.241 1.00 14.56 C ATOM 1066 C LEU A 119 17.902 13.136 72.728 1.00 13.62 C ATOM 1067 O LEU A 119 18.232 14.324 72.688 1.00 13.95 O ATOM 1068 CB LEU A 119 19.233 12.412 74.691 1.00 17.29 C ATOM 1069 CG LEU A 119 18.053 12.402 75.666 1.00 20.09 C ATOM 1070 CD1 LEU A 119 17.293 11.078 75.607 1.00 21.21 C ATOM 1071 CD2 LEU A 119 18.540 12.668 77.074 1.00 22.45 C ATOM 1072 H LEU A 119 20.439 12.954 72.028 1.00 0.00 H ATOM 1073 N VAL A 120 16.702 12.709 72.348 1.00 11.77 N ATOM 1074 CA VAL A 120 15.723 13.635 71.811 1.00 11.16 C ATOM 1075 C VAL A 120 14.452 13.582 72.632 1.00 10.93 C ATOM 1076 O VAL A 120 13.973 12.497 72.965 1.00 12.55 O ATOM 1077 CB VAL A 120 15.406 13.318 70.339 1.00 12.89 C ATOM 1078 CG1 VAL A 120 14.266 14.193 69.825 1.00 13.25 C ATOM 1079 CG2 VAL A 120 16.660 13.488 69.482 1.00 13.95 C ATOM 1080 H VAL A 120 16.463 11.701 72.437 1.00 0.00 H ATOM 1081 N VAL A 121 13.920 14.759 72.960 1.00 10.31 N ATOM 1082 CA VAL A 121 12.624 14.890 73.616 1.00 10.10 C ATOM 1083 C VAL A 121 11.681 15.566 72.619 1.00 9.89 C ATOM 1084 O VAL A 121 11.952 16.695 72.198 1.00 10.65 O ATOM 1085 CB VAL A 121 12.724 15.715 74.910 1.00 10.61 C ATOM 1086 CG1 VAL A 121 11.350 15.910 75.532 1.00 12.46 C ATOM 1087 CG2 VAL A 121 13.701 15.052 75.894 1.00 11.78 C ATOM 1088 H VAL A 121 14.453 15.624 72.738 1.00 0.00 H ATOM 1089 N THR A 122 10.614 14.879 72.211 1.00 10.37 N ATOM 1090 CA THR A 122 9.777 15.379 71.130 1.00 9.73 C ATOM 1091 C THR A 122 8.294 15.245 71.439 1.00 9.43 C ATOM 1092 O THR A 122 7.867 14.261 72.043 1.00 10.16 O ATOM 1093 CB THR A 122 10.084 14.633 69.785 1.00 10.91 C ATOM 1094 OG1 THR A 122 9.333 15.213 68.712 1.00 10.81 O ATOM 1095 CG2 THR A 122 9.753 13.135 69.881 1.00 12.33 C ATOM 1096 HG1 THR A 122 8.366 15.139 68.910 1.00 0.00 H ATOM 1097 H THR A 122 10.377 13.976 72.670 1.00 0.00 H ATOM 1098 N PRO A 123 7.498 16.236 71.013 1.00 10.05 N ATOM 1099 CA PRO A 123 6.050 16.028 70.966 1.00 9.64 C ATOM 1100 C PRO A 123 5.687 15.191 69.747 1.00 8.74 C ATOM 1101 O PRO A 123 6.566 14.843 68.952 1.00 9.61 O ATOM 1102 CB PRO A 123 5.502 17.442 70.812 1.00 10.29 C ATOM 1103 CG PRO A 123 6.551 18.097 69.940 1.00 9.37 C ATOM 1104 CD PRO A 123 7.875 17.544 70.450 1.00 10.71 C ATOM 1105 N LEU A 124 4.405 14.876 69.594 1.00 9.17 N ATOM 1106 CA LEU A 124 3.932 14.239 68.375 1.00 9.05 C ATOM 1107 C LEU A 124 3.748 15.317 67.311 1.00 8.63 C ATOM 1108 O LEU A 124 2.751 16.047 67.309 1.00 9.97 O ATOM 1109 CB LEU A 124 2.632 13.483 68.625 1.00 10.31 C ATOM 1110 CG LEU A 124 2.787 12.188 69.429 1.00 10.67 C ATOM 1111 CD1 LEU A 124 1.430 11.598 69.744 1.00 12.88 C ATOM 1112 CD2 LEU A 124 3.652 11.193 68.664 1.00 13.03 C ATOM 1113 H LEU A 124 3.730 15.088 70.357 1.00 0.00 H ATOM 1114 N VAL A 125 4.730 15.422 66.423 1.00 8.48 N ATOM 1115 CA VAL A 125 4.728 16.420 65.361 1.00 8.42 C ATOM 1116 C VAL A 125 3.466 16.275 64.499 1.00 7.86 C ATOM 1117 O VAL A 125 3.044 15.153 64.174 1.00 9.09 O ATOM 1118 CB VAL A 125 6.010 16.289 64.510 1.00 8.47 C ATOM 1119 CG1 VAL A 125 6.020 17.268 63.352 1.00 10.17 C ATOM 1120 CG2 VAL A 125 7.232 16.513 65.397 1.00 9.77 C ATOM 1121 H VAL A 125 5.534 14.765 66.488 1.00 0.00 H ATOM 1122 N SER A 126 2.856 17.422 64.180 1.00 8.30 N ATOM 1123 CA SER A 126 1.663 17.546 63.332 1.00 8.44 C ATOM 1124 C SER A 126 0.369 17.084 63.989 1.00 8.30 C ATOM 1125 O SER A 126 -0.687 17.204 63.369 1.00 9.60 O ATOM 1126 CB SER A 126 1.836 16.794 61.997 1.00 9.32 C ATOM 1127 OG SER A 126 2.838 17.398 61.210 1.00 9.46 O ATOM 1128 HG SER A 126 2.585 18.336 61.019 1.00 0.00 H ATOM 1129 H SER A 126 3.260 18.300 64.565 1.00 0.00 H ATOM 1130 N ALA A 127 0.414 16.613 65.234 1.00 8.91 N ATOM 1131 CA ALA A 127 -0.774 15.969 65.819 1.00 9.66 C ATOM 1132 C ALA A 127 -1.752 16.940 66.486 1.00 9.69 C ATOM 1133 O ALA A 127 -2.776 16.522 67.034 1.00 12.52 O ATOM 1134 CB ALA A 127 -0.359 14.895 66.819 1.00 11.07 C ATOM 1135 H ALA A 127 1.287 16.700 65.792 1.00 0.00 H ATOM 1136 N GLY A 128 -1.460 18.236 66.439 1.00 9.62 N ATOM 1137 CA GLY A 128 -2.345 19.216 67.046 1.00 10.68 C ATOM 1138 C GLY A 128 -2.923 20.180 66.026 1.00 10.32 C ATOM 1139 O GLY A 128 -3.860 19.863 65.283 1.00 11.08 O ATOM 1140 H GLY A 128 -0.590 18.551 65.964 1.00 0.00 H ATOM 1141 N ILE A 129 -2.351 21.374 65.982 1.00 9.92 N ATOM 1142 CA ILE A 129 -2.804 22.387 65.045 1.00 9.93 C ATOM 1143 C ILE A 129 -2.719 21.902 63.588 1.00 9.17 C ATOM 1144 O ILE A 129 -3.546 22.294 62.760 1.00 11.16 O ATOM 1145 CB ILE A 129 -2.005 23.684 65.273 1.00 9.69 C ATOM 1146 CG1 ILE A 129 -2.419 24.264 66.631 1.00 10.73 C ATOM 1147 CG2 ILE A 129 -2.217 24.693 64.150 1.00 12.25 C ATOM 1148 CD1 ILE A 129 -1.460 25.276 67.203 1.00 12.53 C ATOM 1149 H ILE A 129 -1.565 21.589 66.628 1.00 0.00 H ATOM 1150 N PHE A 130 -1.768 21.016 63.283 1.00 8.97 N ATOM 1151 CA PHE A 130 -1.621 20.519 61.912 1.00 9.20 C ATOM 1152 C PHE A 130 -2.505 19.293 61.585 1.00 10.84 C ATOM 1153 O PHE A 130 -2.452 18.767 60.480 1.00 11.11 O ATOM 1154 CB PHE A 130 -0.141 20.216 61.618 1.00 8.37 C ATOM 1155 CG PHE A 130 0.671 21.435 61.236 1.00 8.26 C ATOM 1156 CD1 PHE A 130 0.077 22.690 61.105 1.00 9.86 C ATOM 1157 CD2 PHE A 130 2.024 21.314 60.958 1.00 9.75 C ATOM 1158 CE1 PHE A 130 0.835 23.806 60.737 1.00 10.03 C ATOM 1159 CE2 PHE A 130 2.785 22.428 60.587 1.00 10.10 C ATOM 1160 CZ PHE A 130 2.183 23.671 60.466 1.00 9.92 C ATOM 1161 H PHE A 130 -1.125 20.675 64.026 1.00 0.00 H ATOM 1162 N GLY A 131 -3.333 18.859 62.532 1.00 10.64 N ATOM 1163 CA GLY A 131 -4.462 17.995 62.214 1.00 11.68 C ATOM 1164 C GLY A 131 -4.218 16.533 61.888 1.00 11.84 C ATOM 1165 O GLY A 131 -5.102 15.873 61.330 1.00 14.08 O ATOM 1166 H GLY A 131 -3.171 19.142 63.519 1.00 0.00 H ATOM 1167 N VAL A 132 -3.047 16.014 62.225 1.00 10.63 N ATOM 1168 CA VAL A 132 -2.757 14.595 61.990 1.00 10.36 C ATOM 1169 C VAL A 132 -3.142 13.788 63.226 1.00 9.92 C ATOM 1170 O VAL A 132 -2.962 14.248 64.348 1.00 11.56 O ATOM 1171 CB VAL A 132 -1.263 14.386 61.635 1.00 9.68 C ATOM 1172 CG1 VAL A 132 -0.913 12.901 61.514 1.00 11.02 C ATOM 1173 CG2 VAL A 132 -0.939 15.108 60.336 1.00 10.42 C ATOM 1174 H VAL A 132 -2.324 16.620 62.662 1.00 0.00 H ATOM 1175 N LYS A 133 -3.684 12.588 63.029 1.00 11.97 N ATOM 1176 CA LYS A 133 -4.021 11.727 64.166 1.00 12.76 C ATOM 1177 C LYS A 133 -2.775 11.412 64.983 1.00 11.40 C ATOM 1178 O LYS A 133 -1.738 11.065 64.414 1.00 11.30 O ATOM 1179 CB LYS A 133 -4.654 10.419 63.697 1.00 15.00 C ATOM 1180 CG LYS A 133 -5.976 10.573 62.972 1.00 21.09 C ATOM 1181 CD LYS A 133 -6.462 9.197 62.489 1.00 26.40 C ATOM 1182 CE LYS A 133 -7.685 9.307 61.586 1.00 32.52 C ATOM 1183 NZ LYS A 133 -8.824 9.954 62.295 1.00 36.18 N ATOM 1184 HZ1 LYS A 133 -9.078 9.388 63.130 1.00 0.00 H ATOM 1185 HZ2 LYS A 133 -8.546 10.910 62.595 1.00 0.00 H ATOM 1186 HZ3 LYS A 133 -9.641 10.014 61.654 1.00 0.00 H ATOM 1187 H LYS A 133 -3.870 12.259 62.060 1.00 0.00 H ATOM 1188 N PRO A 134 -2.869 11.512 66.317 1.00 11.12 N ATOM 1189 CA PRO A 134 -1.696 11.192 67.136 1.00 12.27 C ATOM 1190 C PRO A 134 -1.113 9.806 66.834 1.00 11.11 C ATOM 1191 O PRO A 134 0.107 9.685 66.760 1.00 11.26 O ATOM 1192 CB PRO A 134 -2.240 11.282 68.563 1.00 13.88 C ATOM 1193 CG PRO A 134 -3.295 12.339 68.467 1.00 14.97 C ATOM 1194 CD PRO A 134 -3.959 12.093 67.121 1.00 13.07 C ATOM 1195 N ALA A 135 -1.954 8.801 66.600 1.00 12.93 N ATOM 1196 CA ALA A 135 -1.442 7.465 66.303 1.00 13.40 C ATOM 1197 C ALA A 135 -0.625 7.424 65.016 1.00 12.25 C ATOM 1198 O ALA A 135 0.340 6.671 64.924 1.00 13.91 O ATOM 1199 CB ALA A 135 -2.586 6.452 66.220 1.00 15.74 C ATOM 1200 H ALA A 135 -2.980 8.967 66.629 1.00 0.00 H ATOM 1201 N VAL A 136 -1.018 8.200 64.013 1.00 11.75 N ATOM 1202 CA VAL A 136 -0.271 8.244 62.765 1.00 11.16 C ATOM 1203 C VAL A 136 1.104 8.882 62.983 1.00 10.00 C ATOM 1204 O VAL A 136 2.119 8.347 62.536 1.00 10.39 O ATOM 1205 CB VAL A 136 -1.050 9.000 61.670 1.00 11.63 C ATOM 1206 CG1 VAL A 136 -0.164 9.263 60.446 1.00 12.49 C ATOM 1207 CG2 VAL A 136 -2.290 8.207 61.284 1.00 13.47 C ATOM 1208 H VAL A 136 -1.871 8.784 64.121 1.00 0.00 H ATOM 1209 N SER A 137 1.149 9.997 63.699 1.00 9.41 N ATOM 1210 CA SER A 137 2.425 10.637 63.977 1.00 9.29 C ATOM 1211 C SER A 137 3.336 9.702 64.785 1.00 8.44 C ATOM 1212 O SER A 137 4.529 9.543 64.486 1.00 10.03 O ATOM 1213 CB SER A 137 2.189 11.956 64.710 1.00 10.10 C ATOM 1214 OG SER A 137 3.411 12.656 64.913 1.00 9.94 O ATOM 1215 HG SER A 137 4.024 12.098 65.454 1.00 0.00 H ATOM 1216 H SER A 137 0.269 10.415 64.063 1.00 0.00 H ATOM 1217 N PHE A 138 2.760 9.050 65.790 1.00 9.45 N ATOM 1218 CA PHE A 138 3.468 8.080 66.615 1.00 11.07 C ATOM 1219 C PHE A 138 4.035 6.933 65.781 1.00 10.06 C ATOM 1220 O PHE A 138 5.185 6.519 65.967 1.00 10.76 O ATOM 1221 CB PHE A 138 2.498 7.563 67.675 1.00 11.82 C ATOM 1222 CG PHE A 138 3.097 6.618 68.668 1.00 15.10 C ATOM 1223 CD1 PHE A 138 3.990 7.060 69.623 1.00 17.49 C ATOM 1224 CD2 PHE A 138 2.717 5.288 68.673 1.00 19.02 C ATOM 1225 CE1 PHE A 138 4.510 6.177 70.566 1.00 21.04 C ATOM 1226 CE2 PHE A 138 3.231 4.401 69.608 1.00 22.16 C ATOM 1227 CZ PHE A 138 4.131 4.851 70.554 1.00 22.47 C ATOM 1228 H PHE A 138 1.759 9.241 65.997 1.00 0.00 H ATOM 1229 N ASP A 139 3.243 6.427 64.841 1.00 10.61 N ATOM 1230 CA ASP A 139 3.707 5.325 63.999 1.00 12.16 C ATOM 1231 C ASP A 139 4.902 5.725 63.127 1.00 10.62 C ATOM 1232 O ASP A 139 5.816 4.923 62.919 1.00 11.19 O ATOM 1233 CB ASP A 139 2.567 4.809 63.127 1.00 15.30 C ATOM 1234 CG ASP A 139 1.498 4.093 63.933 1.00 21.01 C ATOM 1235 OD1 ASP A 139 1.767 3.726 65.096 1.00 21.75 O ATOM 1236 OD2 ASP A 139 0.392 3.893 63.395 1.00 25.24 O ATOM 1237 H ASP A 139 2.289 6.817 64.704 1.00 0.00 H ATOM 1238 N TYR A 140 4.909 6.959 62.618 1.00 10.19 N ATOM 1239 CA TYR A 140 6.061 7.424 61.841 1.00 9.48 C ATOM 1240 C TYR A 140 7.294 7.559 62.737 1.00 9.91 C ATOM 1241 O TYR A 140 8.402 7.219 62.329 1.00 10.61 O ATOM 1242 CB TYR A 140 5.764 8.753 61.126 1.00 10.09 C ATOM 1243 CG TYR A 140 5.042 8.558 59.811 1.00 10.60 C ATOM 1244 CD1 TYR A 140 5.714 8.059 58.698 1.00 13.40 C ATOM 1245 CD2 TYR A 140 3.690 8.865 59.672 1.00 12.16 C ATOM 1246 CE1 TYR A 140 5.059 7.867 57.485 1.00 14.67 C ATOM 1247 CE2 TYR A 140 3.033 8.682 58.463 1.00 14.35 C ATOM 1248 CZ TYR A 140 3.719 8.177 57.373 1.00 14.59 C ATOM 1249 OH TYR A 140 3.070 7.984 56.173 1.00 16.84 O ATOM 1250 HH TYR A 140 3.708 7.620 55.509 1.00 0.00 H ATOM 1251 H TYR A 140 4.097 7.590 62.773 1.00 0.00 H ATOM 1252 N LEU A 141 7.105 8.036 63.967 1.00 9.69 N ATOM 1253 CA LEU A 141 8.223 8.163 64.899 1.00 10.44 C ATOM 1254 C LEU A 141 8.856 6.805 65.157 1.00 10.80 C ATOM 1255 O LEU A 141 10.072 6.644 65.052 1.00 12.00 O ATOM 1256 CB LEU A 141 7.770 8.797 66.221 1.00 11.83 C ATOM 1257 CG LEU A 141 8.790 8.662 67.371 1.00 16.05 C ATOM 1258 CD1 LEU A 141 10.113 9.334 67.012 1.00 19.99 C ATOM 1259 CD2 LEU A 141 8.238 9.231 68.652 1.00 20.95 C ATOM 1260 H LEU A 141 6.151 8.321 64.267 1.00 0.00 H ATOM 1261 N ILE A 142 8.049 5.810 65.487 1.00 11.94 N ATOM 1262 CA ILE A 142 8.670 4.538 65.817 1.00 13.21 C ATOM 1263 C ILE A 142 9.226 3.847 64.560 1.00 13.00 C ATOM 1264 O ILE A 142 10.157 3.054 64.658 1.00 13.24 O ATOM 1265 CB ILE A 142 7.710 3.614 66.585 1.00 18.60 C ATOM 1266 CG1 ILE A 142 6.578 3.122 65.710 1.00 21.34 C ATOM 1267 CG2 ILE A 142 7.170 4.290 67.836 1.00 18.70 C ATOM 1268 CD1 ILE A 142 5.744 2.058 66.398 1.00 25.96 C ATOM 1269 H ILE A 142 7.016 5.932 65.509 1.00 0.00 H ATOM 1270 N ARG A 143 8.705 4.175 63.380 1.00 11.69 N ATOM 1271 CA ARG A 143 9.294 3.653 62.152 1.00 12.35 C ATOM 1272 C ARG A 143 10.714 4.170 61.952 1.00 12.55 C ATOM 1273 O ARG A 143 11.612 3.423 61.523 1.00 14.40 O ATOM 1274 CB ARG A 143 8.448 4.023 60.938 1.00 14.74 C ATOM 1275 CG ARG A 143 8.954 3.406 59.646 1.00 19.41 C ATOM 1276 CD ARG A 143 8.319 4.037 58.426 1.00 26.17 C ATOM 1277 NE ARG A 143 8.550 3.221 57.236 1.00 33.91 N ATOM 1278 CZ ARG A 143 9.677 3.223 56.532 1.00 39.33 C ATOM 1279 NH1 ARG A 143 10.691 3.999 56.894 1.00 41.71 N ATOM 1280 NH2 ARG A 143 9.794 2.444 55.466 1.00 40.31 N ATOM 1281 HE ARG A 143 7.781 2.597 56.919 1.00 0.00 H ATOM 1282 HH12 ARG A 143 11.571 3.997 56.340 1.00 0.00 H ATOM 1283 HH11 ARG A 143 10.606 4.609 57.732 1.00 0.00 H ATOM 1284 HH22 ARG A 143 10.676 2.446 54.915 1.00 0.00 H ATOM 1285 HH21 ARG A 143 9.004 1.831 55.181 1.00 0.00 H ATOM 1286 H ARG A 143 7.878 4.804 63.334 1.00 0.00 H ATOM 1287 N GLU A 144 10.920 5.448 62.263 1.00 11.42 N ATOM 1288 CA GLU A 144 12.171 6.118 61.909 1.00 12.01 C ATOM 1289 C GLU A 144 13.215 6.153 63.014 1.00 11.60 C ATOM 1290 O GLU A 144 14.389 6.341 62.730 1.00 13.83 O ATOM 1291 CB GLU A 144 11.896 7.567 61.471 1.00 14.22 C ATOM 1292 CG GLU A 144 10.897 7.718 60.333 1.00 17.08 C ATOM 1293 CD GLU A 144 11.267 6.929 59.090 1.00 22.93 C ATOM 1294 OE1 GLU A 144 12.455 6.593 58.904 1.00 25.54 O ATOM 1295 OE2 GLU A 144 10.360 6.656 58.282 1.00 27.44 O ATOM 1296 H GLU A 144 10.180 5.978 62.766 1.00 0.00 H ATOM 1297 N ALA A 145 12.799 6.007 64.270 1.00 11.83 N ATOM 1298 CA ALA A 145 13.711 6.262 65.391 1.00 12.05 C ATOM 1299 C ALA A 145 14.936 5.345 65.413 1.00 12.19 C ATOM 1300 O ALA A 145 14.808 4.117 65.334 1.00 13.54 O ATOM 1301 CB ALA A 145 12.963 6.160 66.709 1.00 11.65 C ATOM 1302 H ALA A 145 11.820 5.710 64.458 1.00 0.00 H ATOM 1303 N LYS A 146 16.119 5.951 65.525 1.00 12.96 N ATOM 1304 CA LYS A 146 17.377 5.217 65.623 1.00 14.35 C ATOM 1305 C LYS A 146 18.266 5.823 66.695 1.00 16.43 C ATOM 1306 O LYS A 146 19.491 5.686 66.651 1.00 21.72 O ATOM 1307 CB LYS A 146 18.133 5.228 64.294 1.00 15.57 C ATOM 1308 CG LYS A 146 17.491 4.432 63.186 1.00 18.93 C ATOM 1309 CD LYS A 146 18.325 4.546 61.932 1.00 22.63 C ATOM 1310 CE LYS A 146 17.726 3.742 60.801 1.00 27.66 C ATOM 1311 NZ LYS A 146 18.640 3.726 59.619 1.00 31.61 N ATOM 1312 HZ1 LYS A 146 18.798 4.700 59.291 1.00 0.00 H ATOM 1313 HZ2 LYS A 146 19.548 3.299 59.890 1.00 0.00 H ATOM 1314 HZ3 LYS A 146 18.207 3.168 58.855 1.00 0.00 H ATOM 1315 H LYS A 146 16.146 6.990 65.543 1.00 0.00 H ATOM 1316 N THR A 147 17.650 6.516 67.639 1.00 13.60 N ATOM 1317 CA THR A 147 18.366 7.106 68.757 1.00 12.91 C ATOM 1318 C THR A 147 17.432 7.084 69.959 1.00 12.73 C ATOM 1319 O THR A 147 16.285 6.648 69.841 1.00 14.25 O ATOM 1320 CB THR A 147 18.834 8.549 68.445 1.00 14.03 C ATOM 1321 OG1 THR A 147 19.740 8.989 69.463 1.00 15.68 O ATOM 1322 CG2 THR A 147 17.647 9.511 68.361 1.00 14.15 C ATOM 1323 HG1 THR A 147 20.038 9.911 69.262 1.00 0.00 H ATOM 1324 H THR A 147 16.619 6.642 67.579 1.00 0.00 H ATOM 1325 N ARG A 148 17.905 7.536 71.111 1.00 13.16 N ATOM 1326 CA ARG A 148 17.055 7.566 72.292 1.00 13.74 C ATOM 1327 C ARG A 148 16.039 8.692 72.179 1.00 12.27 C ATOM 1328 O ARG A 148 16.415 9.864 72.115 1.00 13.74 O ATOM 1329 CB ARG A 148 17.882 7.750 73.559 1.00 18.31 C ATOM 1330 CG ARG A 148 18.835 6.625 73.866 1.00 30.24 C ATOM 1331 CD ARG A 148 19.754 7.017 75.016 1.00 37.97 C ATOM 1332 NE ARG A 148 20.258 5.853 75.733 1.00 42.77 N ATOM 1333 CZ ARG A 148 21.371 5.205 75.410 1.00 46.30 C ATOM 1334 NH1 ARG A 148 22.095 5.606 74.372 1.00 47.30 N ATOM 1335 NH2 ARG A 148 21.756 4.154 76.121 1.00 46.83 N ATOM 1336 HE ARG A 148 19.712 5.508 76.548 1.00 0.00 H ATOM 1337 HH12 ARG A 148 22.967 5.099 74.119 1.00 0.00 H ATOM 1338 HH11 ARG A 148 21.790 6.428 73.812 1.00 0.00 H ATOM 1339 HH22 ARG A 148 22.628 3.646 75.868 1.00 0.00 H ATOM 1340 HH21 ARG A 148 21.186 3.837 76.931 1.00 0.00 H ATOM 1341 H ARG A 148 18.888 7.871 71.172 1.00 0.00 H ATOM 1342 N VAL A 149 14.759 8.341 72.160 1.00 11.81 N ATOM 1343 CA VAL A 149 13.698 9.323 72.006 1.00 11.02 C ATOM 1344 C VAL A 149 12.700 9.199 73.141 1.00 12.37 C ATOM 1345 O VAL A 149 12.189 8.107 73.418 1.00 13.23 O ATOM 1346 CB VAL A 149 12.949 9.152 70.657 1.00 11.86 C ATOM 1347 CG1 VAL A 149 11.872 10.238 70.502 1.00 13.20 C ATOM 1348 CG2 VAL A 149 13.928 9.187 69.492 1.00 13.49 C ATOM 1349 H VAL A 149 14.508 7.336 72.258 1.00 0.00 H ATOM 1350 N LEU A 150 12.431 10.323 73.794 1.00 10.87 N ATOM 1351 CA LEU A 150 11.325 10.422 74.732 1.00 11.13 C ATOM 1352 C LEU A 150 10.222 11.162 74.011 1.00 10.66 C ATOM 1353 O LEU A 150 10.367 12.352 73.705 1.00 11.37 O ATOM 1354 CB LEU A 150 11.727 11.155 76.013 1.00 12.52 C ATOM 1355 CG LEU A 150 12.950 10.564 76.718 1.00 15.29 C ATOM 1356 CD1 LEU A 150 13.307 11.346 77.969 1.00 17.78 C ATOM 1357 CD2 LEU A 150 12.700 9.104 77.053 1.00 19.86 C ATOM 1358 H LEU A 150 13.029 11.158 73.630 1.00 0.00 H ATOM 1359 N VAL A 151 9.134 10.465 73.696 1.00 11.08 N ATOM 1360 CA VAL A 151 8.015 11.126 73.050 1.00 11.02 C ATOM 1361 C VAL A 151 7.029 11.524 74.137 1.00 10.72 C ATOM 1362 O VAL A 151 6.540 10.688 74.900 1.00 12.05 O ATOM 1363 CB VAL A 151 7.352 10.243 71.951 1.00 13.71 C ATOM 1364 CG1 VAL A 151 6.947 8.876 72.475 1.00 16.13 C ATOM 1365 CG2 VAL A 151 6.182 10.986 71.296 1.00 13.58 C ATOM 1366 H VAL A 151 9.085 9.449 73.912 1.00 0.00 H ATOM 1367 N VAL A 152 6.775 12.825 74.231 1.00 10.89 N ATOM 1368 CA VAL A 152 6.009 13.371 75.337 1.00 10.83 C ATOM 1369 C VAL A 152 4.653 13.824 74.844 1.00 11.33 C ATOM 1370 O VAL A 152 4.562 14.595 73.881 1.00 12.51 O ATOM 1371 CB VAL A 152 6.750 14.547 75.998 1.00 11.56 C ATOM 1372 CG1 VAL A 152 5.992 15.030 77.243 1.00 13.14 C ATOM 1373 CG2 VAL A 152 8.196 14.135 76.344 1.00 12.62 C ATOM 1374 H VAL A 152 7.133 13.467 73.495 1.00 0.00 H ATOM 1375 N VAL A 153 3.604 13.326 75.497 1.00 12.18 N ATOM 1376 CA VAL A 153 2.240 13.712 75.175 1.00 11.80 C ATOM 1377 C VAL A 153 1.635 14.341 76.428 1.00 12.11 C ATOM 1378 O VAL A 153 1.915 13.903 77.547 1.00 13.50 O ATOM 1379 CB VAL A 153 1.404 12.498 74.686 1.00 12.75 C ATOM 1380 CG1 VAL A 153 2.019 11.908 73.435 1.00 12.73 C ATOM 1381 CG2 VAL A 153 1.295 11.437 75.774 1.00 13.98 C ATOM 1382 H VAL A 153 3.766 12.639 76.261 1.00 0.00 H ATOM 1383 N ASN A 154 0.849 15.399 76.260 1.00 13.65 N ATOM 1384 CA ASN A 154 0.327 16.096 77.432 1.00 15.45 C ATOM 1385 C ASN A 154 -1.111 15.710 77.770 1.00 17.36 C ATOM 1386 O ASN A 154 -1.720 16.292 78.664 1.00 21.13 O ATOM 1387 CB ASN A 154 0.449 17.617 77.252 1.00 16.27 C ATOM 1388 CG ASN A 154 -0.378 18.150 76.094 1.00 17.88 C ATOM 1389 OD1 ASN A 154 -1.019 17.395 75.375 1.00 23.14 O ATOM 1390 ND2 ASN A 154 -0.361 19.464 75.912 1.00 18.10 N ATOM 1391 HD22 ASN A 154 0.198 20.070 76.547 1.00 0.00 H ATOM 1392 HD21 ASN A 154 -0.906 19.888 75.135 1.00 0.00 H ATOM 1393 H ASN A 154 0.608 15.727 75.303 1.00 0.00 H ATOM 1394 N SER A 155 -1.632 14.705 77.073 1.00 16.55 N ATOM 1395 CA SER A 155 -2.983 14.206 77.310 1.00 17.72 C ATOM 1396 C SER A 155 -2.983 12.736 77.713 1.00 16.73 C ATOM 1397 O SER A 155 -2.379 11.916 77.029 1.00 16.46 O ATOM 1398 CB SER A 155 -3.830 14.401 76.047 1.00 17.44 C ATOM 1399 OG SER A 155 -4.983 13.578 76.046 1.00 20.68 O ATOM 1400 HG SER A 155 -5.499 13.736 75.216 1.00 0.00 H ATOM 1401 H SER A 155 -1.056 14.258 76.332 1.00 0.00 H ATOM 1402 N GLN A 156 -3.666 12.395 78.806 1.00 16.95 N ATOM 1403 CA GLN A 156 -3.758 10.993 79.209 1.00 17.22 C ATOM 1404 C GLN A 156 -4.568 10.182 78.196 1.00 16.71 C ATOM 1405 O GLN A 156 -4.262 9.013 77.947 1.00 17.82 O ATOM 1406 CB GLN A 156 -4.366 10.853 80.609 1.00 19.11 C ATOM 1407 CG GLN A 156 -4.540 9.404 81.065 1.00 19.63 C ATOM 1408 CD GLN A 156 -3.224 8.713 81.372 1.00 20.78 C ATOM 1409 OE1 GLN A 156 -2.159 9.318 81.286 1.00 20.92 O ATOM 1410 NE2 GLN A 156 -3.295 7.441 81.751 1.00 23.19 N ATOM 1411 HE22 GLN A 156 -4.219 6.967 81.810 1.00 0.00 H ATOM 1412 HE21 GLN A 156 -2.427 6.920 81.988 1.00 0.00 H ATOM 1413 H GLN A 156 -4.135 13.129 79.374 1.00 0.00 H ATOM 1414 N ASP A 157 -5.589 10.807 77.607 1.00 16.37 N ATOM 1415 CA ASP A 157 -6.364 10.167 76.541 1.00 18.02 C ATOM 1416 C ASP A 157 -5.445 9.718 75.409 1.00 17.31 C ATOM 1417 O ASP A 157 -5.527 8.581 74.940 1.00 19.05 O ATOM 1418 CB ASP A 157 -7.436 11.117 75.991 1.00 22.15 C ATOM 1419 CG ASP A 157 -8.685 11.162 76.850 1.00 30.37 C ATOM 1420 OD1 ASP A 157 -8.919 10.210 77.623 1.00 31.58 O ATOM 1421 OD2 ASP A 157 -9.442 12.151 76.735 1.00 33.90 O ATOM 1422 H ASP A 157 -5.840 11.769 77.911 1.00 0.00 H ATOM 1423 N VAL A 158 -4.557 10.608 74.984 1.00 16.62 N ATOM 1424 CA VAL A 158 -3.611 10.273 73.929 1.00 16.46 C ATOM 1425 C VAL A 158 -2.637 9.201 74.416 1.00 15.36 C ATOM 1426 O VAL A 158 -2.390 8.210 73.721 1.00 15.98 O ATOM 1427 CB VAL A 158 -2.834 11.518 73.451 1.00 14.61 C ATOM 1428 CG1 VAL A 158 -1.727 11.118 72.474 1.00 15.28 C ATOM 1429 CG2 VAL A 158 -3.784 12.528 72.806 1.00 17.61 C ATOM 1430 H VAL A 158 -4.537 11.557 75.410 1.00 0.00 H ATOM 1431 N TYR A 159 -2.092 9.395 75.613 1.00 14.59 N ATOM 1432 CA TYR A 159 -1.173 8.434 76.207 1.00 13.70 C ATOM 1433 C TYR A 159 -1.764 7.020 76.204 1.00 15.51 C ATOM 1434 O TYR A 159 -1.121 6.070 75.744 1.00 16.92 O ATOM 1435 CB TYR A 159 -0.812 8.864 77.634 1.00 14.22 C ATOM 1436 CG TYR A 159 0.210 7.984 78.322 1.00 14.22 C ATOM 1437 CD1 TYR A 159 1.563 8.307 78.299 1.00 14.84 C ATOM 1438 CD2 TYR A 159 -0.182 6.839 79.012 1.00 15.64 C ATOM 1439 CE1 TYR A 159 2.494 7.513 78.935 1.00 14.75 C ATOM 1440 CE2 TYR A 159 0.744 6.037 79.638 1.00 16.96 C ATOM 1441 CZ TYR A 159 2.078 6.379 79.598 1.00 15.89 C ATOM 1442 OH TYR A 159 3.011 5.592 80.230 1.00 16.82 O ATOM 1443 HH TYR A 159 2.987 4.680 79.846 1.00 0.00 H ATOM 1444 H TYR A 159 -2.329 10.259 76.141 1.00 0.00 H ATOM 1445 N LYS A 160 -2.987 6.862 76.697 1.00 17.04 N ATOM 1446 CA LYS A 160 -3.520 5.505 76.787 1.00 21.00 C ATOM 1447 C LYS A 160 -3.922 4.953 75.423 1.00 21.92 C ATOM 1448 O LYS A 160 -3.888 3.746 75.218 1.00 22.46 O ATOM 1449 CB LYS A 160 -4.695 5.433 77.774 1.00 26.93 C ATOM 1450 CG LYS A 160 -5.936 6.209 77.423 1.00 34.73 C ATOM 1451 CD LYS A 160 -7.077 5.759 78.337 1.00 39.85 C ATOM 1452 CE LYS A 160 -8.222 6.759 78.382 1.00 42.44 C ATOM 1453 NZ LYS A 160 -8.880 6.969 77.063 1.00 44.71 N ATOM 1454 HZ1 LYS A 160 -8.181 7.326 76.381 1.00 0.00 H ATOM 1455 HZ2 LYS A 160 -9.268 6.066 76.723 1.00 0.00 H ATOM 1456 HZ3 LYS A 160 -9.649 7.661 77.167 1.00 0.00 H ATOM 1457 H LYS A 160 -3.548 7.680 77.010 1.00 0.00 H ATOM 1458 N SER A 161 -4.257 5.823 74.476 1.00 21.67 N ATOM 1459 CA SER A 161 -4.607 5.348 73.139 1.00 23.29 C ATOM 1460 C SER A 161 -3.383 4.739 72.447 1.00 23.40 C ATOM 1461 O SER A 161 -3.512 3.878 71.577 1.00 26.15 O ATOM 1462 CB SER A 161 -5.188 6.478 72.287 1.00 24.77 C ATOM 1463 OG SER A 161 -4.181 7.393 71.892 1.00 26.58 O ATOM 1464 HG SER A 161 -3.761 7.788 72.697 1.00 0.00 H ATOM 1465 H SER A 161 -4.270 6.841 74.686 1.00 0.00 H ATOM 1466 N LEU A 162 -2.194 5.172 72.853 1.00 22.38 N ATOM 1467 CA LEU A 162 -0.959 4.720 72.219 1.00 22.81 C ATOM 1468 C LEU A 162 -0.251 3.618 73.000 1.00 27.65 C ATOM 1469 O LEU A 162 0.743 3.065 72.536 1.00 29.14 O ATOM 1470 CB LEU A 162 -0.004 5.898 72.026 1.00 20.94 C ATOM 1471 CG LEU A 162 -0.579 7.062 71.224 1.00 20.04 C ATOM 1472 CD1 LEU A 162 0.423 8.195 71.161 1.00 20.34 C ATOM 1473 CD2 LEU A 162 -0.949 6.593 69.826 1.00 20.46 C ATOM 1474 H LEU A 162 -2.142 5.849 73.641 1.00 0.00 H ATOM 1475 N THR A 163 -0.756 3.309 74.187 1.00 29.92 N ATOM 1476 CA THR A 163 -0.128 2.303 75.037 1.00 34.73 C ATOM 1477 C THR A 163 -1.036 1.113 75.308 1.00 45.02 C ATOM 1478 O THR A 163 -0.654 0.200 76.043 1.00 44.71 O ATOM 1479 CB THR A 163 0.308 2.898 76.385 1.00 30.98 C ATOM 1480 OG1 THR A 163 -0.831 3.456 77.054 1.00 29.16 O ATOM 1481 CG2 THR A 163 1.372 3.970 76.181 1.00 30.83 C ATOM 1482 HG1 THR A 163 -1.227 4.168 76.491 1.00 0.00 H ATOM 1483 H THR A 163 -1.615 3.793 74.518 1.00 0.00 H ATOM 1484 N ILE A 164 -2.229 1.127 74.717 1.00 53.48 N ATOM 1485 CA ILE A 164 -3.202 0.063 74.934 1.00 81.36 C ATOM 1486 C ILE A 164 -2.645 -1.287 74.477 1.00 74.83 C ATOM 1487 O ILE A 164 -2.939 -2.323 75.079 1.00107.54 O ATOM 1488 CB ILE A 164 -4.539 0.375 74.212 1.00 50.57 C ATOM 1489 CG1 ILE A 164 -5.745 -0.066 75.056 1.00100.48 C ATOM 1490 CG2 ILE A 164 -4.567 -0.192 72.788 1.00 64.95 C ATOM 1491 CD1 ILE A 164 -6.124 0.912 76.154 1.00 75.21 C ATOM 1492 OXT ILE A 164 -1.865 -1.378 73.526 1.00 83.89 O ATOM 1493 H ILE A 164 -2.473 1.916 74.085 1.00 0.00 H TER 1494 ILE A 164 HETATM 1495 O HOH 1 22.188 28.840 77.780 1.00 54.97 O HETATM 1496 O HOH 2 20.663 25.902 76.496 1.00 28.42 O HETATM 1497 O HOH 3 11.967 13.717 87.332 1.00 52.58 O HETATM 1498 O HOH 4 6.581 1.414 56.766 1.00 35.78 O HETATM 1499 O HOH 5 -7.835 6.956 74.961 1.00 35.66 O HETATM 1500 O HOH 6 24.517 28.742 76.325 1.00 34.14 O HETATM 1501 O HOH 7 20.421 30.728 77.651 1.00 48.58 O HETATM 1502 O HOH 8 13.776 17.197 58.843 1.00 35.62 O HETATM 1503 O HOH 9 19.652 25.436 57.813 1.00 47.37 O HETATM 1504 O HOH 10 10.937 18.126 52.309 1.00 31.39 O HETATM 1505 O HOH 11 8.266 37.961 64.720 1.00 42.96 O HETATM 1506 O HOH 12 3.645 24.065 67.914 1.00 10.66 O HETATM 1507 O HOH 13 5.521 4.281 56.023 1.00 43.80 O HETATM 1508 O HOH 14 -5.848 29.356 57.309 1.00 28.95 O HETATM 1509 O HOH 15 -1.092 2.503 79.479 1.00 39.21 O HETATM 1510 O HOH 16 9.094 11.822 53.603 1.00 34.28 O HETATM 1511 O HOH 17 -0.260 26.928 62.017 1.00 17.66 O HETATM 1512 O HOH 18 -2.676 16.992 73.368 1.00 29.96 O HETATM 1513 O HOH 19 21.418 7.461 72.055 1.00 32.81 O HETATM 1514 O HOH 20 12.631 2.486 65.435 1.00 14.71 O HETATM 1515 O HOH 21 16.369 17.829 58.380 1.00 28.17 O HETATM 1516 O HOH 22 23.965 24.290 74.116 1.00 45.13 O HETATM 1517 O HOH 23 11.235 5.843 55.020 1.00 45.55 O HETATM 1518 O HOH 24 -4.822 25.806 54.698 1.00 47.70 O HETATM 1519 O HOH 25 0.769 26.266 74.299 1.00 27.82 O HETATM 1520 O HOH 26 13.177 4.515 78.883 1.00 29.23 O HETATM 1521 O HOH 27 22.871 19.083 63.714 1.00 26.54 O HETATM 1522 O HOH 28 2.858 15.518 72.012 1.00 11.65 O HETATM 1523 O HOH 29 5.438 1.651 59.962 1.00 24.55 O HETATM 1524 O HOH 30 12.960 1.341 67.920 1.00 17.23 O HETATM 1525 O HOH 31 10.368 34.017 61.070 1.00 23.91 O HETATM 1526 O HOH 32 2.120 3.351 81.459 1.00 26.10 O HETATM 1527 O HOH 33 22.090 32.350 75.201 1.00 24.73 O HETATM 1528 O HOH 34 2.316 -0.311 74.812 1.00 45.21 O HETATM 1529 O HOH 35 -1.361 23.434 50.748 1.00 15.99 O HETATM 1530 O HOH 36 -3.336 23.859 60.486 1.00 16.52 O HETATM 1531 O HOH 37 21.818 25.024 62.622 1.00 30.16 O HETATM 1532 O HOH 38 18.350 19.001 60.867 1.00 41.98 O HETATM 1533 O HOH 39 -3.340 15.734 54.183 1.00 26.05 O HETATM 1534 O HOH 40 14.143 3.004 60.599 1.00 35.25 O HETATM 1535 O HOH 41 4.569 24.782 78.824 1.00 30.85 O HETATM 1536 O HOH 42 25.028 22.742 71.551 1.00 40.52 O HETATM 1537 O HOH 43 20.868 14.953 72.327 1.00 19.06 O HETATM 1538 O HOH 44 3.372 12.374 84.182 1.00 22.19 O HETATM 1539 O HOH 45 3.162 25.145 54.909 1.00 24.94 O HETATM 1540 O HOH 46 8.416 26.589 52.253 1.00 30.76 O HETATM 1541 O HOH 47 19.550 37.386 59.920 1.00 17.75 O HETATM 1542 O HOH 48 14.873 28.596 51.990 1.00 31.80 O HETATM 1543 O HOH 49 4.493 -1.761 52.935 1.00 34.53 O HETATM 1544 O HOH 50 21.976 35.239 54.083 1.00 51.29 O HETATM 1545 O HOH 51 7.064 24.525 81.035 1.00 39.90 O HETATM 1546 O HOH 52 5.613 33.414 68.564 1.00 24.84 O HETATM 1547 O HOH 53 0.146 25.387 56.426 1.00 26.29 O HETATM 1548 O HOH 54 15.278 13.898 57.371 1.00 23.92 O HETATM 1549 O HOH 55 0.214 14.525 71.539 1.00 16.79 O HETATM 1550 O HOH 56 5.706 -2.084 72.631 1.00 15.73 O HETATM 1551 O HOH 57 -7.659 17.723 55.991 1.00 54.16 O HETATM 1552 O HOH 58 -5.939 16.223 54.983 1.00 51.22 O HETATM 1553 O HOH 59 11.718 9.729 54.405 1.00 41.13 O HETATM 1554 O HOH 60 19.153 17.018 62.413 1.00 27.41 O HETATM 1555 O HOH 61 3.904 22.497 82.479 1.00 34.35 O HETATM 1556 O HOH 62 6.966 11.503 51.570 1.00 45.03 O HETATM 1557 O HOH 63 10.212 37.790 70.109 1.00 20.69 O HETATM 1558 O HOH 64 3.606 22.504 57.192 1.00 12.94 O HETATM 1559 O HOH 65 6.366 27.679 64.216 1.00 12.19 O HETATM 1560 O HOH 66 5.950 28.094 78.557 1.00 29.19 O HETATM 1561 O HOH 67 19.592 13.781 83.800 1.00 47.00 O HETATM 1562 O HOH 68 17.609 0.136 74.543 1.00 50.51 O HETATM 1563 O HOH 69 15.216 5.824 60.101 1.00 31.53 O HETATM 1564 O HOH 70 5.200 15.334 49.325 1.00 29.93 O HETATM 1565 O HOH 71 -3.600 16.718 69.816 1.00 27.38 O HETATM 1566 O HOH 72 -2.120 20.811 73.892 1.00 16.57 O HETATM 1567 O HOH 73 7.061 35.018 78.344 1.00 50.26 O HETATM 1568 O HOH 74 15.793 27.605 55.460 1.00 23.73 O HETATM 1569 O HOH 75 -4.240 17.364 79.359 1.00 35.08 O HETATM 1570 O HOH 76 1.584 0.781 71.088 1.00 48.18 O HETATM 1571 O HOH 77 13.865 9.593 65.366 1.00 38.28 O HETATM 1572 O HOH 78 12.182 40.093 64.130 1.00 32.63 O HETATM 1573 O HOH 79 21.266 7.508 65.037 1.00 40.02 O HETATM 1574 O HOH 80 13.016 3.025 75.194 1.00 27.93 O HETATM 1575 O HOH 81 1.478 23.828 75.002 1.00 27.17 O HETATM 1576 O HOH 82 -5.895 17.879 65.508 1.00 37.27 O HETATM 1577 O HOH 83 12.293 36.997 59.347 1.00 35.78 O HETATM 1578 O HOH 84 5.117 20.821 62.882 1.00 9.66 O HETATM 1579 O HOH 85 11.388 19.258 85.081 1.00 37.51 O HETATM 1580 O HOH 86 24.934 14.996 67.954 1.00 52.61 O HETATM 1581 O HOH 87 11.173 39.577 76.766 1.00 38.87 O HETATM 1582 O HOH 88 15.785 27.853 69.306 1.00 12.30 O HETATM 1583 O HOH 89 23.025 19.040 70.247 1.00 31.79 O HETATM 1584 O HOH 90 13.826 5.967 75.146 1.00 28.38 O HETATM 1585 O HOH 91 -5.252 15.538 65.520 1.00 27.21 O HETATM 1586 O HOH 92 19.513 12.432 61.318 1.00 30.72 O HETATM 1587 O HOH 93 -1.035 14.889 73.921 1.00 21.32 O HETATM 1588 O HOH 94 20.377 22.431 61.481 1.00 22.95 O HETATM 1589 O HOH 95 -4.444 14.542 80.615 1.00 24.78 O HETATM 1590 O HOH 96 13.234 35.140 54.123 1.00 38.19 O HETATM 1591 O HOH 97 5.222 17.896 82.895 1.00 23.89 O HETATM 1592 O HOH 98 -8.818 20.995 55.556 1.00 34.15 O HETATM 1593 O HOH 99 8.381 32.660 81.091 1.00 49.50 O HETATM 1594 O HOH 100 4.851 32.606 72.583 1.00 20.69 O HETATM 1595 O HOH 101 -4.215 11.750 60.260 1.00 20.83 O HETATM 1596 O HOH 102 -4.851 8.823 67.163 1.00 21.91 O HETATM 1597 O HOH 103 0.219 8.681 55.813 1.00 52.00 O HETATM 1598 O HOH 104 -7.676 17.274 60.912 1.00 44.32 O HETATM 1599 O HOH 105 6.520 6.625 86.931 1.00 40.22 O HETATM 1600 O HOH 106 10.470 38.358 67.286 1.00 30.75 O HETATM 1601 O HOH 107 12.639 25.964 51.285 1.00 45.70 O HETATM 1602 O HOH 108 22.814 25.285 66.345 1.00 36.37 O HETATM 1603 O HOH 109 -1.422 12.722 53.279 1.00 19.98 O HETATM 1604 O HOH 110 14.794 16.723 56.927 1.00 45.33 O HETATM 1605 O HOH 111 4.840 29.372 58.143 1.00 24.46 O HETATM 1606 O HOH 112 4.591 6.320 54.211 1.00 35.03 O HETATM 1607 O HOH 113 22.387 7.751 68.821 1.00 34.99 O HETATM 1608 O HOH 114 5.442 24.703 51.352 1.00 48.46 O HETATM 1609 O HOH 115 7.765 36.673 70.812 1.00 20.64 O HETATM 1610 O HOH 116 9.025 38.471 81.774 1.00 55.21 O HETATM 1611 O HOH 117 -7.104 14.863 74.321 1.00 40.53 O HETATM 1612 O HOH 118 16.163 20.098 56.689 1.00 28.18 O HETATM 1613 O HOH 119 18.010 20.765 79.807 1.00 45.03 O HETATM 1614 O HOH 120 -5.056 13.803 59.119 1.00 35.96 O HETATM 1615 O HOH 121 4.123 25.105 57.557 1.00 13.87 O HETATM 1616 O HOH 122 22.403 26.227 72.696 1.00 23.30 O HETATM 1617 O HOH 123 19.846 18.355 83.604 1.00 44.34 O HETATM 1618 O HOH 124 17.991 21.988 82.124 1.00 48.11 O HETATM 1619 O HOH 125 18.150 8.340 59.946 1.00 30.21 O HETATM 1620 O HOH 126 9.699 16.676 88.344 1.00 47.71 O HETATM 1621 O HOH 127 5.236 5.099 84.878 1.00 26.90 O HETATM 1622 O HOH 128 2.735 32.244 70.485 1.00 35.20 O HETATM 1623 O HOH 129 19.567 15.779 60.998 1.00 41.76 O HETATM 1624 O HOH 130 7.551 8.077 53.812 1.00 42.25 O HETATM 1625 O HOH 131 14.870 7.904 84.064 1.00 48.89 O HETATM 1626 O HOH 132 2.471 23.498 77.206 1.00 24.86 O HETATM 1627 O HOH 133 5.770 17.111 91.621 1.00 38.23 O HETATM 1628 O HOH 134 0.516 -0.313 80.177 1.00 49.09 O HETATM 1629 O HOH 135 1.588 20.824 78.076 1.00 35.27 O HETATM 1630 O HOH 136 23.196 10.041 67.392 1.00 46.40 O HETATM 1631 O HOH 137 8.045 6.169 56.031 1.00 50.76 O HETATM 1632 O HOH 138 17.318 6.533 58.670 1.00 38.36 O HETATM 1633 O HOH 139 7.049 12.051 49.847 1.00 60.65 O HETATM 1634 O HOH 140 16.734 7.977 82.204 1.00 50.98 O HETATM 1635 O HOH 141 24.355 26.124 70.099 1.00 29.50 O HETATM 1636 O HOH 142 1.980 26.046 50.114 1.00 48.10 O HETATM 1637 O HOH 143 3.164 1.298 63.177 1.00 49.68 O HETATM 1638 O HOH 144 2.983 28.761 56.665 1.00 42.73 O HETATM 1639 O HOH 145 1.179 29.200 73.909 1.00 33.93 O HETATM 1640 O HOH 146 0.667 25.918 53.964 1.00 52.69 O HETATM 1641 O HOH 147 11.878 3.350 81.512 1.00 42.51 O HETATM 1642 O HOH 148 7.095 35.671 74.847 1.00 47.81 O HETATM 1643 O HOH 149 7.843 37.601 75.929 1.00 49.46 O HETATM 1644 O HOH 150 0.064 10.019 53.208 1.00 45.87 O HETATM 1645 O HOH 151 17.696 13.486 58.283 1.00 31.60 O HETATM 1646 O HOH 152 5.476 36.090 65.767 1.00 47.10 O HETATM 1647 O HOH 153 21.544 10.720 61.418 1.00 41.57 O HETATM 1648 O HOH 154 15.902 40.274 61.770 1.00 33.97 O HETATM 1649 O HOH 155 -6.872 14.086 64.256 1.00 46.39 O HETATM 1650 O HOH 156 19.632 8.769 78.001 1.00 49.02 O HETATM 1651 O HOH 157 1.463 28.100 75.684 1.00 37.24 O HETATM 1652 O HOH 158 18.629 10.845 58.265 1.00 39.63 O HETATM 1653 O HOH 159 16.663 8.275 78.967 1.00 46.90 O HETATM 1654 O HOH 160 10.170 35.934 59.237 1.00 35.97 O HETATM 1655 O HOH 161 5.941 30.603 80.014 1.00 49.73 O HETATM 1656 O HOH 162 3.473 15.777 84.394 1.00 47.95 O HETATM 1657 O HOH 163 -7.733 4.169 74.476 1.00 43.88 O HETATM 1658 O HOH 164 4.845 34.764 74.148 1.00 35.96 O HETATM 1659 O HOH 165 8.933 3.713 87.036 1.00 50.76 O HETATM 1660 O HOH 166 1.653 30.823 75.340 1.00 39.29 O HETATM 1661 O HOH 167 1.379 31.041 73.050 1.00 34.97 O HETATM 1662 O HOH 168 0.997 19.265 80.787 1.00 39.16 O HETATM 1663 O HOH 169 7.464 37.751 73.860 1.00 45.29 O HETATM 1664 O HOH 170 2.847 14.552 86.233 1.00 41.58 O HETATM 1665 O HOH 171 -8.175 16.761 57.682 1.00 52.83 O HETATM 1666 O HOH 172 2.317 -0.178 66.303 1.00 48.93 O HETATM 1667 O HOH 173 21.222 7.083 62.633 1.00 44.55 O HETATM 1668 O HOH 174 -6.261 14.830 68.524 1.00 44.71 O HETATM 1669 O HOH 175 8.173 37.425 78.165 1.00 49.86 O HETATM 1670 O HOH 176 8.809 35.347 56.977 1.00 38.28 O HETATM 1671 O HOH 177 23.081 16.629 70.999 1.00 28.09 O HETATM 1672 O HOH 178 22.843 33.761 77.368 1.00 22.36 O HETATM 1673 O HOH 179 23.998 11.336 62.320 1.00 47.51 O HETATM 1674 O HOH 180 13.910 30.708 50.052 1.00 48.67 O HETATM 1675 O HOH 181 7.381 26.768 80.592 1.00 45.57 O HETATM 1676 O HOH 182 11.148 5.202 88.499 1.00 56.07 O HETATM 1677 O HOH 183 -5.260 15.277 70.481 1.00 42.97 O HETATM 1678 O HOH 184 23.900 17.198 61.967 1.00 50.54 O HETATM 1679 O HOH 185 21.892 16.351 60.773 1.00 46.56 O HETATM 1680 O HOH 186 3.853 20.416 83.851 1.00 37.46 O HETATM 1681 O HOH 187 -4.643 14.141 56.009 1.00 33.87 O HETATM 1682 O HOH 188 3.182 27.923 78.470 1.00 50.21 O HETATM 1683 O HOH 189 6.097 37.351 68.830 1.00 49.39 O HETATM 1684 O HOH 190 15.916 6.835 77.185 1.00 41.43 O HETATM 1685 O HOH 191 24.734 18.731 67.922 1.00 40.12 O HETATM 1686 O HOH 192 18.488 15.794 58.510 1.00 45.83 O HETATM 1687 O HOH 193 15.305 12.385 54.998 1.00 37.67 O HETATM 1688 O HOH 194 10.769 12.990 51.579 1.00 50.04 O HETATM 1689 O HOH 195 -3.020 10.218 57.911 1.00 44.39 O HETATM 1690 O HOH 196 0.000 20.765 84.574 1.00 48.31 O HETATM 1691 N1 APR A 197 4.327 19.014 75.598 1.00 -0.27 N HETATM 1692 C2 APR A 197 3.905 17.875 74.969 1.00 0.05 C HETATM 1693 N3 APR A 197 2.922 17.924 73.999 1.00 -0.27 N HETATM 1694 C4 APR A 197 2.370 19.136 73.672 1.00 0.16 C HETATM 1695 C5 APR A 197 2.794 20.259 74.295 1.00 0.10 C HETATM 1696 C6 APR A 197 3.776 20.206 75.272 1.00 0.13 C HETATM 1697 N6 APR A 197 4.313 21.304 76.001 1.00 -0.32 N HETATM 1698 H2 APR A 197 3.962 22.257 75.829 1.00 0.18 H HETATM 1699 H3 APR A 197 5.052 21.145 76.701 1.00 0.18 H HETATM 1700 N7 APR A 197 2.098 21.322 73.802 1.00 -0.30 N HETATM 1701 C8 APR A 197 1.242 20.849 72.858 1.00 0.11 C HETATM 1702 N9 APR A 197 1.393 19.502 72.769 1.00 -0.19 N HETATM 1703 C1' APR A 197 0.791 18.508 71.983 1.00 0.20 C HETATM 1704 C2' APR A 197 -0.200 18.977 71.244 1.00 0.14 C HETATM 1705 O2' APR A 197 -1.477 18.937 71.891 1.00 -0.38 O HETATM 1706 H7 APR A 197 -1.691 18.038 72.111 1.00 0.21 H HETATM 1707 C3' APR A 197 -0.198 18.015 69.922 1.00 0.11 C HETATM 1708 O3' APR A 197 -0.824 16.762 70.282 1.00 -0.39 O HETATM 1709 H9 APR A 197 -1.715 16.925 70.569 1.00 0.21 H HETATM 1710 C4' APR A 197 1.124 17.816 69.630 1.00 0.12 C HETATM 1711 O4' APR A 197 1.883 18.159 70.911 1.00 -0.34 O HETATM 1712 C5' APR A 197 1.648 18.734 68.498 1.00 0.11 C HETATM 1713 O5' APR A 197 0.990 19.981 68.783 1.00 -0.25 O HETATM 1714 PA APR A 197 1.216 21.342 68.022 1.00 0.30 P HETATM 1715 O1A APR A 197 -0.173 21.907 67.730 1.00 -0.61 O HETATM 1716 O2A APR A 197 2.049 22.282 68.881 1.00 -0.61 O HETATM 1717 O3A APR A 197 2.002 21.021 66.713 1.00 -0.13 O HETATM 1718 PB APR A 197 1.586 20.799 65.180 1.00 0.30 P HETATM 1719 O1B APR A 197 2.827 20.237 64.486 1.00 -0.61 O HETATM 1720 O2B APR A 197 0.305 19.975 65.103 1.00 -0.61 O HETATM 1721 O5D APR A 197 1.260 22.238 64.630 1.00 -0.25 O HETATM 1722 C5D APR A 197 2.344 23.119 64.274 1.00 0.11 C HETATM 1723 C4D APR A 197 1.834 24.540 64.145 1.00 0.12 C HETATM 1724 O4D APR A 197 1.258 24.965 65.560 1.00 -0.34 O HETATM 1725 C1D APR A 197 1.830 26.114 65.874 1.00 0.19 C HETATM 1726 O1D APR A 197 2.034 26.176 67.270 1.00 -0.36 O HETATM 1727 H15 APR A 197 2.596 25.459 67.539 1.00 0.21 H HETATM 1728 C2D APR A 197 3.190 26.059 65.166 1.00 0.13 C HETATM 1729 O2D APR A 197 3.734 27.331 65.069 1.00 -0.38 O HETATM 1730 H17 APR A 197 4.575 27.282 64.629 1.00 0.21 H HETATM 1731 C3D APR A 197 2.773 25.465 63.823 1.00 0.11 C HETATM 1732 O3D APR A 197 2.172 26.547 62.977 1.00 -0.39 O HETATM 1733 H19 APR A 197 1.412 26.907 63.419 1.00 0.21 H HETATM 1734 H20 APR A 197 3.626 25.003 63.303 1.00 0.06 H HETATM 1735 H18 APR A 197 3.899 25.400 65.689 1.00 0.07 H HETATM 1736 H16 APR A 197 1.230 26.971 65.534 1.00 0.09 H HETATM 1737 H21 APR A 197 1.040 24.561 63.384 1.00 0.07 H HETATM 1738 H13 APR A 197 2.775 22.798 63.314 1.00 0.06 H HETATM 1739 H14 APR A 197 3.118 23.079 65.055 1.00 0.06 H HETATM 1740 H11 APR A 197 1.361 18.349 67.508 1.00 0.06 H HETATM 1741 H12 APR A 197 2.742 18.841 68.546 1.00 0.06 H HETATM 1742 H10 APR A 197 1.288 16.765 69.349 1.00 0.07 H HETATM 1743 H8 APR A 197 -0.726 18.483 69.078 1.00 0.06 H HETATM 1744 H6 APR A 197 0.012 20.018 70.960 1.00 0.07 H HETATM 1745 H5 APR A 197 0.477 17.646 72.590 1.00 0.10 H HETATM 1746 H4 APR A 197 0.550 21.450 72.270 1.00 0.13 H HETATM 1747 H1 APR A 197 4.347 16.922 75.235 1.00 0.10 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1691 1692 1696 CONECT 1692 1691 1693 1747 CONECT 1693 1692 1694 CONECT 1694 1693 1695 1702 CONECT 1695 1694 1696 1700 CONECT 1696 1691 1695 1697 CONECT 1697 1696 1698 1699 CONECT 1698 1697 CONECT 1699 1697 CONECT 1700 1695 1701 CONECT 1701 1700 1702 1746 CONECT 1702 1694 1701 1703 CONECT 1703 1702 1704 1711 1745 CONECT 1704 1703 1705 1707 1744 CONECT 1705 1704 1706 CONECT 1706 1705 CONECT 1707 1704 1708 1710 1743 CONECT 1708 1707 1709 CONECT 1709 1708 CONECT 1710 1707 1711 1712 1742 CONECT 1711 1703 1710 CONECT 1712 1710 1713 1740 1741 CONECT 1713 1712 1714 CONECT 1714 1713 1715 1716 1717 CONECT 1715 1714 CONECT 1716 1714 CONECT 1717 1714 1718 CONECT 1718 1717 1719 1720 1721 CONECT 1719 1718 CONECT 1720 1718 CONECT 1721 1718 1722 CONECT 1722 1721 1723 1738 1739 CONECT 1723 1722 1724 1731 1737 CONECT 1724 1723 1725 CONECT 1725 1724 1726 1728 1736 CONECT 1726 1725 1727 CONECT 1727 1726 CONECT 1728 1725 1729 1731 1735 CONECT 1729 1728 1730 CONECT 1730 1729 CONECT 1731 1723 1728 1732 1734 CONECT 1732 1731 1733 CONECT 1733 1732 CONECT 1734 1731 CONECT 1735 1728 CONECT 1736 1725 CONECT 1737 1723 CONECT 1738 1722 CONECT 1739 1722 CONECT 1740 1712 CONECT 1741 1712 CONECT 1742 1710 CONECT 1743 1707 CONECT 1744 1704 CONECT 1745 1703 CONECT 1746 1701 CONECT 1747 1692 MASTER 0 0 0 0 0 0 0 0 1746 1 61 13 END
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Structure:
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Related entries of code: 5dus
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1ihy
RCSB PDB
PDBbind
APR
1szd
RCSB PDB
PDBbind
APR
2l8r
RCSB PDB
PDBbind
APR
3gpo
RCSB PDB
PDBbind
APR
3gqo
RCSB PDB
PDBbind
APR
3q6z
RCSB PDB
PDBbind
APR
5mqx
RCSB PDB
PDBbind
APR
Entry Information
PDB ID
5dus
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
MERS-CoV macro domain
Ligand Name
APR
EC.Number
E.C.-.-.-.-
Resolution
1.43(Å)
Affinity (Kd/Ki/IC50)
Kd=2.95uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Biol.Chem. Vol. 291: pp. 4894-4902
Ligand Properties
Formula
C
1
5
H
2
5
N
5
O
1
4
P
2
Molecular Weight
561.332
Exact Mass
561.087
No. of atoms
61
No. of bonds
64
Polar Surface Area
325.02
LOGP Value
-6.34 (
Computed with XLOGP3
)
-3.58 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 4
Canonical SMILES
O[C@@H]1[C@@H](COP(OP(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)O)(O)O)(O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C15H27N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-29,35-36H,1-2H2,(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
Links to External Databases
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
K9N638
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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