Browse entries in the PDBbind-CN Database
HEADER 5W3I_COMPLEX COMPND 5W3I_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 119 MET GLU ASP PHE VAL ARG GLN CYS PHE ASN PRO MET ILE SEQRES 2 A 119 VAL GLU LEU ALA GLU LYS ALA MET LYS GLU TYR GLY GLU SEQRES 3 A 119 ASP PRO LYS ILE GLU THR ASN LYS PHE ALA ALA ILE CYS SEQRES 4 A 119 THR HIS LEU GLU VAL CYS PHE MET TYR SER ASP GLY GLY SEQRES 5 A 119 SER LYS HIS ARG PHE GLU ILE ILE GLU GLY ARG ASP ARG SEQRES 6 A 119 ILE MET ALA TRP THR VAL VAL ASN SER ILE CYS ASN THR SEQRES 7 A 119 THR GLY VAL GLU LYS PRO LYS PHE LEU PRO ASP LEU TYR SEQRES 8 A 119 ASP TYR LYS GLU ASN ARG PHE ILE GLU ILE GLY VAL THR SEQRES 9 A 119 ARG ARG GLU VAL HIS ILE TYR TYR LEU GLU LYS ALA ASN SEQRES 10 A 119 LYS ILE SEQRES 1 A 61 GLU LYS THR HIS ILE HIS ILE PHE SER PHE THR GLY GLU SEQRES 2 A 61 GLU MET ALA THR LYS ALA ASP TYR THR LEU ASP GLU GLU SEQRES 3 A 61 SER ARG ALA ARG ILE LYS THR ARG LEU PHE THR ILE ARG SEQRES 4 A 61 GLN GLU MET ALA SER ARG SER LEU TRP ASP SER PHE ARG SEQRES 5 A 61 GLN SER GLU ARG ALA ALA ALA GLU LEU HET MN A 1 1 HET MN A 2 1 HET GY A 5 54 ATOM 1 N MET A 1 40.243 -27.344 -0.501 1.00 41.65 N ATOM 2 CA MET A 1 39.071 -26.428 -0.664 1.00 38.92 C ATOM 3 C MET A 1 39.518 -24.969 -0.591 1.00 37.56 C ATOM 4 O MET A 1 38.945 -24.099 -1.255 1.00 33.58 O ATOM 5 CB MET A 1 38.007 -26.716 0.405 1.00 38.47 C ATOM 6 CG MET A 1 36.754 -25.845 0.310 1.00 36.44 C ATOM 7 SD MET A 1 35.850 -26.080 -1.226 1.00 36.42 S ATOM 8 CE MET A 1 34.902 -27.559 -0.849 1.00 39.32 C ATOM 9 HN3 MET A 1 40.690 -27.173 0.422 1.00 0.00 H ATOM 10 HN2 MET A 1 40.931 -27.163 -1.259 1.00 0.00 H ATOM 11 HN1 MET A 1 39.920 -28.331 -0.553 1.00 0.00 H ATOM 12 N GLU A 2 40.544 -24.705 0.221 1.00 41.21 N ATOM 13 CA GLU A 2 41.103 -23.359 0.298 1.00 38.69 C ATOM 14 C GLU A 2 41.481 -22.848 -1.084 1.00 36.77 C ATOM 15 O GLU A 2 41.083 -21.748 -1.484 1.00 38.10 O ATOM 16 CB GLU A 2 42.323 -23.349 1.223 1.00 37.89 C ATOM 17 H GLU A 2 40.949 -25.465 0.804 1.00 0.00 H ATOM 18 N ASP A 3 42.247 -23.646 -1.836 1.00 31.89 N ATOM 19 CA ASP A 3 42.669 -23.230 -3.171 1.00 29.70 C ATOM 20 C ASP A 3 41.475 -23.047 -4.098 1.00 30.15 C ATOM 21 O ASP A 3 41.446 -22.108 -4.904 1.00 34.42 O ATOM 22 CB ASP A 3 43.645 -24.250 -3.759 1.00 27.98 C ATOM 23 H ASP A 3 42.545 -24.571 -1.467 1.00 0.00 H ATOM 24 N PHE A 4 40.481 -23.930 -4.007 1.00 29.50 N ATOM 25 CA PHE A 4 39.295 -23.776 -4.844 1.00 26.52 C ATOM 26 C PHE A 4 38.617 -22.435 -4.584 1.00 24.54 C ATOM 27 O PHE A 4 38.286 -21.698 -5.522 1.00 21.91 O ATOM 28 CB PHE A 4 38.309 -24.919 -4.596 1.00 28.38 C ATOM 29 CG PHE A 4 36.938 -24.645 -5.140 1.00 30.72 C ATOM 30 CD1 PHE A 4 36.666 -24.826 -6.485 1.00 29.55 C ATOM 31 CD2 PHE A 4 35.925 -24.186 -4.310 1.00 29.71 C ATOM 32 CE1 PHE A 4 35.406 -24.564 -6.992 1.00 27.15 C ATOM 33 CE2 PHE A 4 34.668 -23.922 -4.812 1.00 27.51 C ATOM 34 CZ PHE A 4 34.409 -24.113 -6.155 1.00 27.75 C ATOM 35 H PHE A 4 40.550 -24.726 -3.342 1.00 0.00 H ATOM 36 N VAL A 5 38.410 -22.104 -3.306 1.00 20.98 N ATOM 37 CA VAL A 5 37.671 -20.896 -2.941 1.00 21.76 C ATOM 38 C VAL A 5 38.395 -19.654 -3.443 1.00 24.64 C ATOM 39 O VAL A 5 37.781 -18.734 -3.994 1.00 22.96 O ATOM 40 CB VAL A 5 37.455 -20.852 -1.416 1.00 26.61 C ATOM 41 CG1 VAL A 5 37.135 -19.433 -0.939 1.00 32.73 C ATOM 42 CG2 VAL A 5 36.341 -21.811 -1.022 1.00 26.00 C ATOM 43 H VAL A 5 38.783 -22.719 -2.555 1.00 0.00 H ATOM 44 N ARG A 6 39.712 -19.593 -3.239 1.00 30.24 N ATOM 45 CA ARG A 6 40.462 -18.426 -3.686 1.00 35.61 C ATOM 46 C ARG A 6 40.539 -18.345 -5.203 1.00 36.78 C ATOM 47 O ARG A 6 40.713 -17.246 -5.742 1.00 38.47 O ATOM 48 CB ARG A 6 41.864 -18.441 -3.071 1.00 40.51 C ATOM 49 CG ARG A 6 41.810 -18.481 -1.558 1.00 44.94 C ATOM 50 CD ARG A 6 43.157 -18.351 -0.879 1.00 50.28 C ATOM 51 NE ARG A 6 42.989 -18.567 0.557 1.00 52.79 N ATOM 52 CZ ARG A 6 42.651 -17.621 1.431 1.00 52.19 C ATOM 53 NH1 ARG A 6 42.466 -16.365 1.037 1.00 53.90 N ATOM 54 NH2 ARG A 6 42.503 -17.935 2.711 1.00 53.01 N ATOM 55 HE ARG A 6 43.145 -19.528 0.922 1.00 0.00 H ATOM 56 HH12 ARG A 6 42.202 -15.636 1.730 1.00 0.00 H ATOM 57 HH11 ARG A 6 42.585 -16.111 0.035 1.00 0.00 H ATOM 58 HH22 ARG A 6 42.239 -17.201 3.399 1.00 0.00 H ATOM 59 HH21 ARG A 6 42.651 -18.915 3.026 1.00 0.00 H ATOM 60 H ARG A 6 40.202 -20.376 -2.762 1.00 0.00 H ATOM 61 N GLN A 7 40.383 -19.469 -5.902 1.00 34.37 N ATOM 62 CA GLN A 7 40.436 -19.468 -7.357 1.00 36.00 C ATOM 63 C GLN A 7 39.100 -19.121 -7.998 1.00 36.34 C ATOM 64 O GLN A 7 39.082 -18.534 -9.088 1.00 37.94 O ATOM 65 CB GLN A 7 40.898 -20.837 -7.871 1.00 34.16 C ATOM 66 H GLN A 7 40.220 -20.364 -5.398 1.00 0.00 H ATOM 67 N CYS A 8 37.978 -19.460 -7.357 1.00 32.74 N ATOM 68 CA CYS A 8 36.673 -19.314 -7.987 1.00 30.07 C ATOM 69 C CYS A 8 35.838 -18.150 -7.459 1.00 26.22 C ATOM 70 O CYS A 8 34.803 -17.847 -8.060 1.00 25.25 O ATOM 71 CB CYS A 8 35.867 -20.613 -7.844 1.00 37.09 C ATOM 72 SG CYS A 8 35.262 -21.265 -9.443 1.00 36.29 S ATOM 73 H CYS A 8 38.038 -19.836 -6.389 1.00 0.00 H ATOM 74 N PHE A 9 36.248 -17.478 -6.378 1.00 22.51 N ATOM 75 CA PHE A 9 35.478 -16.360 -5.847 1.00 18.28 C ATOM 76 C PHE A 9 36.265 -15.058 -5.888 1.00 17.68 C ATOM 77 O PHE A 9 37.489 -15.034 -5.731 1.00 18.56 O ATOM 78 CB PHE A 9 35.012 -16.635 -4.415 1.00 16.52 C ATOM 79 CG PHE A 9 34.025 -17.751 -4.332 1.00 16.80 C ATOM 80 CD1 PHE A 9 32.679 -17.520 -4.557 1.00 16.73 C ATOM 81 CD2 PHE A 9 34.448 -19.042 -4.088 1.00 19.82 C ATOM 82 CE1 PHE A 9 31.772 -18.554 -4.517 1.00 17.45 C ATOM 83 CE2 PHE A 9 33.546 -20.079 -4.044 1.00 19.41 C ATOM 84 CZ PHE A 9 32.202 -19.832 -4.260 1.00 17.71 C ATOM 85 H PHE A 9 37.132 -17.758 -5.908 1.00 0.00 H ATOM 86 N ASN A 10 35.525 -13.976 -6.088 1.00 16.17 N ATOM 87 CA ASN A 10 36.098 -12.641 -6.079 1.00 20.03 C ATOM 88 C ASN A 10 36.865 -12.416 -4.776 1.00 18.07 C ATOM 89 O ASN A 10 36.368 -12.772 -3.698 1.00 16.05 O ATOM 90 CB ASN A 10 34.982 -11.600 -6.229 1.00 24.86 C ATOM 91 CG ASN A 10 35.509 -10.175 -6.284 1.00 27.35 C ATOM 92 OD1 ASN A 10 35.854 -9.595 -5.261 1.00 23.78 O ATOM 93 ND2 ASN A 10 35.573 -9.607 -7.486 1.00 31.29 N ATOM 94 HD22 ASN A 10 35.269 -10.136 -8.328 1.00 0.00 H ATOM 95 HD21 ASN A 10 35.927 -8.634 -7.583 1.00 0.00 H ATOM 96 H ASN A 10 34.505 -14.086 -6.256 1.00 0.00 H ATOM 97 N PRO A 11 38.066 -11.822 -4.829 1.00 18.21 N ATOM 98 CA PRO A 11 38.839 -11.633 -3.589 1.00 22.98 C ATOM 99 C PRO A 11 38.070 -10.921 -2.495 1.00 19.53 C ATOM 100 O PRO A 11 38.272 -11.208 -1.310 1.00 17.47 O ATOM 101 CB PRO A 11 40.042 -10.794 -4.044 1.00 22.41 C ATOM 102 CG PRO A 11 40.161 -11.026 -5.494 1.00 23.10 C ATOM 103 CD PRO A 11 38.772 -11.294 -6.008 1.00 20.81 C ATOM 104 N MET A 12 37.215 -9.965 -2.857 1.00 19.76 N ATOM 105 CA MET A 12 36.440 -9.267 -1.840 1.00 18.66 C ATOM 106 C MET A 12 35.533 -10.234 -1.090 1.00 15.96 C ATOM 107 O MET A 12 35.394 -10.150 0.138 1.00 16.37 O ATOM 108 CB MET A 12 35.611 -8.157 -2.476 1.00 23.06 C ATOM 109 CG MET A 12 35.023 -7.236 -1.431 1.00 22.95 C ATOM 110 SD MET A 12 33.564 -6.304 -1.939 1.00 21.40 S ATOM 111 CE MET A 12 32.367 -7.626 -2.149 1.00 20.22 C ATOM 112 H MET A 12 37.102 -9.718 -3.861 1.00 0.00 H ATOM 113 N ILE A 13 34.900 -11.154 -1.814 1.00 15.49 N ATOM 114 CA ILE A 13 34.018 -12.125 -1.173 1.00 16.09 C ATOM 115 C ILE A 13 34.817 -13.036 -0.247 1.00 15.13 C ATOM 116 O ILE A 13 34.401 -13.311 0.883 1.00 14.82 O ATOM 117 CB ILE A 13 33.241 -12.921 -2.240 1.00 19.93 C ATOM 118 CG1 ILE A 13 32.167 -12.029 -2.871 1.00 26.64 C ATOM 119 CG2 ILE A 13 32.585 -14.179 -1.642 1.00 15.67 C ATOM 120 CD1 ILE A 13 31.388 -12.669 -3.998 1.00 33.81 C ATOM 121 H ILE A 13 35.035 -11.181 -2.845 1.00 0.00 H ATOM 122 N VAL A 14 35.977 -13.513 -0.708 1.00 16.56 N ATOM 123 CA VAL A 14 36.833 -14.352 0.130 1.00 16.99 C ATOM 124 C VAL A 14 37.189 -13.625 1.419 1.00 18.29 C ATOM 125 O VAL A 14 37.110 -14.192 2.517 1.00 17.17 O ATOM 126 CB VAL A 14 38.097 -14.767 -0.648 1.00 18.03 C ATOM 127 CG1 VAL A 14 39.066 -15.556 0.236 1.00 19.97 C ATOM 128 CG2 VAL A 14 37.715 -15.585 -1.857 1.00 17.94 C ATOM 129 H VAL A 14 36.276 -13.284 -1.678 1.00 0.00 H ATOM 130 N GLU A 15 37.593 -12.355 1.305 1.00 17.00 N ATOM 131 CA GLU A 15 38.038 -11.611 2.479 1.00 21.15 C ATOM 132 C GLU A 15 36.892 -11.384 3.458 1.00 20.74 C ATOM 133 O GLU A 15 37.071 -11.535 4.673 1.00 21.77 O ATOM 134 CB GLU A 15 38.660 -10.275 2.056 1.00 22.89 C ATOM 135 H GLU A 15 37.590 -11.894 0.373 1.00 0.00 H ATOM 136 N LEU A 16 35.706 -11.019 2.951 1.00 18.99 N ATOM 137 CA LEU A 16 34.538 -10.894 3.821 1.00 19.29 C ATOM 138 C LEU A 16 34.225 -12.213 4.512 1.00 19.59 C ATOM 139 O LEU A 16 33.810 -12.233 5.679 1.00 18.40 O ATOM 140 CB LEU A 16 33.323 -10.428 3.019 1.00 23.34 C ATOM 141 CG LEU A 16 33.280 -8.943 2.655 1.00 29.49 C ATOM 142 CD1 LEU A 16 32.147 -8.682 1.692 1.00 21.78 C ATOM 143 CD2 LEU A 16 33.117 -8.085 3.901 1.00 36.38 C ATOM 144 H LEU A 16 35.616 -10.824 1.933 1.00 0.00 H ATOM 145 N ALA A 17 34.419 -13.328 3.810 1.00 19.41 N ATOM 146 CA ALA A 17 34.193 -14.630 4.426 1.00 17.72 C ATOM 147 C ALA A 17 35.232 -14.918 5.502 1.00 18.60 C ATOM 148 O ALA A 17 34.890 -15.407 6.583 1.00 16.95 O ATOM 149 CB ALA A 17 34.210 -15.721 3.359 1.00 19.49 C ATOM 150 H ALA A 17 34.732 -13.270 2.820 1.00 0.00 H ATOM 151 N GLU A 18 36.506 -14.638 5.222 1.00 22.43 N ATOM 152 CA GLU A 18 37.540 -14.814 6.239 1.00 23.88 C ATOM 153 C GLU A 18 37.234 -13.960 7.462 1.00 24.67 C ATOM 154 O GLU A 18 37.298 -14.434 8.603 1.00 25.39 O ATOM 155 CB GLU A 18 38.915 -14.451 5.666 1.00 27.61 C ATOM 156 CG GLU A 18 39.431 -15.407 4.601 1.00 30.18 C ATOM 157 CD GLU A 18 40.805 -15.014 4.066 1.00 38.07 C ATOM 158 OE1 GLU A 18 41.617 -15.918 3.800 1.00 38.65 O ATOM 159 OE2 GLU A 18 41.075 -13.806 3.909 1.00 37.78 O ATOM 160 H GLU A 18 36.764 -14.293 4.276 1.00 0.00 H ATOM 161 N LYS A 19 36.904 -12.688 7.234 1.00 24.51 N ATOM 162 CA LYS A 19 36.584 -11.781 8.331 1.00 27.66 C ATOM 163 C LYS A 19 35.433 -12.325 9.164 1.00 26.82 C ATOM 164 O LYS A 19 35.508 -12.370 10.398 1.00 27.67 O ATOM 165 CB LYS A 19 36.246 -10.399 7.764 1.00 33.48 C ATOM 166 CG LYS A 19 35.597 -9.426 8.752 1.00 38.43 C ATOM 167 CD LYS A 19 36.297 -8.081 8.740 1.00 44.67 C ATOM 168 CE LYS A 19 35.423 -6.982 9.328 1.00 54.78 C ATOM 169 NZ LYS A 19 36.127 -5.664 9.323 1.00 58.47 N ATOM 170 HZ1 LYS A 19 36.996 -5.734 9.890 1.00 0.00 H ATOM 171 HZ2 LYS A 19 36.370 -5.406 8.345 1.00 0.00 H ATOM 172 HZ3 LYS A 19 35.504 -4.938 9.730 1.00 0.00 H ATOM 173 H LYS A 19 36.874 -12.336 6.256 1.00 0.00 H ATOM 174 N ALA A 20 34.361 -12.756 8.499 1.00 25.79 N ATOM 175 CA ALA A 20 33.204 -13.287 9.207 1.00 27.36 C ATOM 176 C ALA A 20 33.591 -14.478 10.073 1.00 29.03 C ATOM 177 O ALA A 20 33.180 -14.578 11.235 1.00 33.14 O ATOM 178 CB ALA A 20 32.121 -13.681 8.204 1.00 25.43 C ATOM 179 H ALA A 20 34.351 -12.713 7.460 1.00 0.00 H ATOM 180 N MET A 21 34.384 -15.397 9.523 1.00 25.73 N ATOM 181 CA MET A 21 34.752 -16.582 10.285 1.00 25.27 C ATOM 182 C MET A 21 35.625 -16.219 11.478 1.00 26.64 C ATOM 183 O MET A 21 35.416 -16.732 12.582 1.00 27.64 O ATOM 184 CB MET A 21 35.457 -17.588 9.380 1.00 24.33 C ATOM 185 CG MET A 21 34.544 -18.123 8.292 1.00 23.73 C ATOM 186 SD MET A 21 35.246 -19.515 7.406 1.00 21.77 S ATOM 187 CE MET A 21 35.257 -20.779 8.681 1.00 24.62 C ATOM 188 H MET A 21 34.738 -15.268 8.554 1.00 0.00 H ATOM 189 N LYS A 22 36.596 -15.326 11.279 1.00 23.61 N ATOM 190 CA LYS A 22 37.447 -14.905 12.387 1.00 24.39 C ATOM 191 C LYS A 22 36.618 -14.272 13.501 1.00 27.74 C ATOM 192 O LYS A 22 36.837 -14.553 14.687 1.00 27.84 O ATOM 193 CB LYS A 22 38.512 -13.931 11.881 1.00 26.76 C ATOM 194 H LYS A 22 36.747 -14.928 10.330 1.00 0.00 H ATOM 195 N GLU A 23 35.655 -13.418 13.139 1.00 32.67 N ATOM 196 CA GLU A 23 34.783 -12.810 14.138 1.00 39.58 C ATOM 197 C GLU A 23 33.986 -13.860 14.896 1.00 38.44 C ATOM 198 O GLU A 23 33.610 -13.638 16.052 1.00 42.80 O ATOM 199 CB GLU A 23 33.831 -11.812 13.475 1.00 46.97 C ATOM 200 CG GLU A 23 34.061 -10.365 13.887 1.00 52.29 C ATOM 201 CD GLU A 23 33.243 -9.383 13.061 1.00 59.20 C ATOM 202 OE1 GLU A 23 33.849 -8.549 12.350 1.00 60.34 O ATOM 203 OE2 GLU A 23 31.995 -9.453 13.118 1.00 62.22 O ATOM 204 H GLU A 23 35.526 -13.185 12.134 1.00 0.00 H ATOM 205 N TYR A 24 33.710 -14.997 14.265 1.00 33.72 N ATOM 206 CA TYR A 24 33.021 -16.103 14.909 1.00 35.14 C ATOM 207 C TYR A 24 33.989 -17.122 15.498 1.00 33.47 C ATOM 208 O TYR A 24 33.559 -18.207 15.904 1.00 36.31 O ATOM 209 CB TYR A 24 32.079 -16.789 13.911 1.00 32.83 C ATOM 210 H TYR A 24 33.999 -15.099 13.271 1.00 0.00 H ATOM 211 N GLY A 25 35.281 -16.801 15.551 1.00 34.01 N ATOM 212 CA GLY A 25 36.250 -17.693 16.161 1.00 35.63 C ATOM 213 C GLY A 25 36.527 -18.950 15.371 1.00 32.90 C ATOM 214 O GLY A 25 36.874 -19.978 15.959 1.00 29.04 O ATOM 215 H GLY A 25 35.600 -15.897 15.149 1.00 0.00 H ATOM 216 N GLU A 26 36.394 -18.895 14.048 1.00 37.86 N ATOM 217 CA GLU A 26 36.597 -20.052 13.189 1.00 38.87 C ATOM 218 C GLU A 26 37.754 -19.792 12.233 1.00 35.54 C ATOM 219 O GLU A 26 38.000 -18.652 11.821 1.00 32.66 O ATOM 220 CB GLU A 26 35.327 -20.370 12.399 1.00 42.69 C ATOM 221 CG GLU A 26 34.077 -20.472 13.263 1.00 49.19 C ATOM 222 CD GLU A 26 32.804 -20.454 12.443 1.00 53.57 C ATOM 223 OE1 GLU A 26 31.960 -21.352 12.638 1.00 57.00 O ATOM 224 OE2 GLU A 26 32.652 -19.547 11.596 1.00 56.66 O ATOM 225 H GLU A 26 36.134 -17.988 13.610 1.00 0.00 H ATOM 226 N ASP A 27 38.462 -20.868 11.878 1.00 35.19 N ATOM 227 CA ASP A 27 39.623 -20.766 11.005 1.00 33.41 C ATOM 228 C ASP A 27 39.232 -21.158 9.590 1.00 29.59 C ATOM 229 O ASP A 27 38.862 -22.323 9.367 1.00 29.46 O ATOM 230 CB ASP A 27 40.750 -21.665 11.497 1.00 39.47 C ATOM 231 CG ASP A 27 42.087 -21.300 10.880 1.00 42.97 C ATOM 232 OD1 ASP A 27 43.098 -21.271 11.614 1.00 47.22 O ATOM 233 OD2 ASP A 27 42.118 -21.008 9.665 1.00 41.88 O ATOM 234 H ASP A 27 38.177 -21.802 12.234 1.00 0.00 H ATOM 235 N PRO A 28 39.306 -20.254 8.609 1.00 26.74 N ATOM 236 CA PRO A 28 38.937 -20.648 7.239 1.00 27.47 C ATOM 237 C PRO A 28 39.772 -21.792 6.698 1.00 31.96 C ATOM 238 O PRO A 28 39.289 -22.555 5.852 1.00 32.44 O ATOM 239 CB PRO A 28 39.160 -19.361 6.431 1.00 24.77 C ATOM 240 CG PRO A 28 39.149 -18.256 7.435 1.00 24.82 C ATOM 241 CD PRO A 28 39.722 -18.844 8.685 1.00 26.36 C ATOM 242 N LYS A 29 41.018 -21.928 7.158 1.00 33.46 N ATOM 243 CA LYS A 29 41.902 -22.996 6.711 1.00 33.29 C ATOM 244 C LYS A 29 41.556 -24.349 7.323 1.00 35.41 C ATOM 245 O LYS A 29 42.021 -25.375 6.812 1.00 36.81 O ATOM 246 CB LYS A 29 43.355 -22.633 7.042 1.00 37.68 C ATOM 247 H LYS A 29 41.370 -21.247 7.861 1.00 0.00 H ATOM 248 N ILE A 30 40.764 -24.376 8.397 1.00 32.20 N ATOM 249 CA ILE A 30 40.340 -25.614 9.050 1.00 33.21 C ATOM 250 C ILE A 30 38.895 -25.964 8.705 1.00 31.34 C ATOM 251 O ILE A 30 38.610 -27.077 8.258 1.00 28.82 O ATOM 252 CB ILE A 30 40.536 -25.522 10.580 1.00 37.85 C ATOM 253 CG1 ILE A 30 42.029 -25.381 10.896 1.00 43.76 C ATOM 254 CG2 ILE A 30 39.931 -26.747 11.286 1.00 38.15 C ATOM 255 CD1 ILE A 30 42.345 -25.195 12.364 1.00 46.82 C ATOM 256 H ILE A 30 40.432 -23.472 8.789 1.00 0.00 H ATOM 257 N GLU A 31 37.966 -25.034 8.932 1.00 31.83 N ATOM 258 CA GLU A 31 36.549 -25.240 8.608 1.00 26.55 C ATOM 259 C GLU A 31 36.309 -24.812 7.160 1.00 24.00 C ATOM 260 O GLU A 31 35.657 -23.813 6.858 1.00 19.84 O ATOM 261 CB GLU A 31 35.665 -24.469 9.583 1.00 32.47 C ATOM 262 CG GLU A 31 35.784 -24.956 11.026 1.00 39.10 C ATOM 263 CD GLU A 31 34.880 -24.203 11.989 1.00 45.74 C ATOM 264 OE1 GLU A 31 33.648 -24.188 11.769 1.00 53.12 O ATOM 265 OE2 GLU A 31 35.401 -23.626 12.970 1.00 56.35 O ATOM 266 H GLU A 31 38.256 -24.129 9.354 1.00 0.00 H ATOM 267 N THR A 32 36.863 -25.607 6.249 1.00 24.24 N ATOM 268 CA THR A 32 36.932 -25.192 4.853 1.00 22.09 C ATOM 269 C THR A 32 35.590 -25.320 4.145 1.00 21.66 C ATOM 270 O THR A 32 35.300 -24.530 3.238 1.00 16.80 O ATOM 271 CB THR A 32 37.994 -26.016 4.124 1.00 26.19 C ATOM 272 OG1 THR A 32 37.689 -27.407 4.265 1.00 32.00 O ATOM 273 CG2 THR A 32 39.372 -25.735 4.711 1.00 27.70 C ATOM 274 HG1 THR A 32 38.375 -27.943 3.794 1.00 0.00 H ATOM 275 H THR A 32 37.249 -26.530 6.534 1.00 0.00 H ATOM 276 N ASN A 33 34.767 -26.298 4.533 1.00 17.41 N ATOM 277 CA ASN A 33 33.423 -26.390 3.975 1.00 16.47 C ATOM 278 C ASN A 33 32.590 -25.173 4.352 1.00 15.59 C ATOM 279 O ASN A 33 31.844 -24.639 3.523 1.00 15.24 O ATOM 280 CB ASN A 33 32.730 -27.670 4.456 1.00 16.76 C ATOM 281 CG ASN A 33 33.364 -28.931 3.896 1.00 26.54 C ATOM 282 OD1 ASN A 33 33.599 -29.896 4.621 1.00 30.03 O ATOM 283 ND2 ASN A 33 33.624 -28.936 2.600 1.00 17.49 N ATOM 284 HD22 ASN A 33 33.409 -28.098 2.023 1.00 0.00 H ATOM 285 HD21 ASN A 33 34.043 -29.778 2.157 1.00 0.00 H ATOM 286 H ASN A 33 35.086 -26.996 5.235 1.00 0.00 H ATOM 287 N LYS A 34 32.702 -24.723 5.602 1.00 19.20 N ATOM 288 CA LYS A 34 32.006 -23.508 6.021 1.00 19.23 C ATOM 289 C LYS A 34 32.510 -22.293 5.253 1.00 16.59 C ATOM 290 O LYS A 34 31.719 -21.437 4.837 1.00 15.83 O ATOM 291 CB LYS A 34 32.187 -23.303 7.524 1.00 26.57 C ATOM 292 CG LYS A 34 31.408 -22.126 8.095 1.00 35.95 C ATOM 293 CD LYS A 34 31.095 -22.352 9.571 1.00 42.41 C ATOM 294 CE LYS A 34 30.298 -21.202 10.168 1.00 50.07 C ATOM 295 NZ LYS A 34 29.826 -21.522 11.550 1.00 55.64 N ATOM 296 HZ1 LYS A 34 29.217 -22.365 11.521 1.00 0.00 H ATOM 297 HZ2 LYS A 34 30.647 -21.707 12.161 1.00 0.00 H ATOM 298 HZ3 LYS A 34 29.287 -20.716 11.926 1.00 0.00 H ATOM 299 H LYS A 34 33.290 -25.241 6.285 1.00 0.00 H ATOM 300 N PHE A 35 33.831 -22.194 5.077 1.00 16.15 N ATOM 301 CA PHE A 35 34.425 -21.132 4.271 1.00 17.20 C ATOM 302 C PHE A 35 33.768 -21.062 2.893 1.00 15.11 C ATOM 303 O PHE A 35 33.318 -19.997 2.454 1.00 14.54 O ATOM 304 CB PHE A 35 35.932 -21.397 4.159 1.00 19.74 C ATOM 305 CG PHE A 35 36.737 -20.260 3.582 1.00 27.27 C ATOM 306 CD1 PHE A 35 36.320 -18.947 3.682 1.00 30.63 C ATOM 307 CD2 PHE A 35 37.941 -20.527 2.942 1.00 26.44 C ATOM 308 CE1 PHE A 35 37.089 -17.918 3.147 1.00 24.81 C ATOM 309 CE2 PHE A 35 38.708 -19.507 2.407 1.00 24.31 C ATOM 310 CZ PHE A 35 38.283 -18.201 2.513 1.00 27.71 C ATOM 311 H PHE A 35 34.454 -22.894 5.528 1.00 0.00 H ATOM 312 N ALA A 36 33.698 -22.200 2.198 1.00 14.92 N ATOM 313 CA ALA A 36 33.101 -22.228 0.865 1.00 14.46 C ATOM 314 C ALA A 36 31.610 -21.912 0.920 1.00 13.56 C ATOM 315 O ALA A 36 31.083 -21.211 0.048 1.00 13.09 O ATOM 316 CB ALA A 36 33.327 -23.592 0.221 1.00 17.70 C ATOM 317 H ALA A 36 34.073 -23.078 2.611 1.00 0.00 H ATOM 318 N ALA A 37 30.922 -22.419 1.940 1.00 13.49 N ATOM 319 CA ALA A 37 29.492 -22.158 2.085 1.00 13.68 C ATOM 320 C ALA A 37 29.215 -20.669 2.231 1.00 12.35 C ATOM 321 O ALA A 37 28.279 -20.139 1.621 1.00 11.83 O ATOM 322 CB ALA A 37 28.955 -22.914 3.295 1.00 13.63 C ATOM 323 H ALA A 37 31.409 -23.009 2.644 1.00 0.00 H ATOM 324 N ILE A 38 30.022 -19.978 3.039 1.00 11.96 N ATOM 325 CA ILE A 38 29.816 -18.550 3.271 1.00 11.66 C ATOM 326 C ILE A 38 30.046 -17.767 1.988 1.00 11.47 C ATOM 327 O ILE A 38 29.251 -16.894 1.617 1.00 11.03 O ATOM 328 CB ILE A 38 30.739 -18.060 4.398 1.00 12.86 C ATOM 329 CG1 ILE A 38 30.338 -18.718 5.717 1.00 24.32 C ATOM 330 CG2 ILE A 38 30.696 -16.532 4.511 1.00 12.00 C ATOM 331 CD1 ILE A 38 31.365 -18.569 6.806 1.00 36.74 C ATOM 332 H ILE A 38 30.811 -20.464 3.511 1.00 0.00 H ATOM 333 N CYS A 39 31.154 -18.059 1.304 1.00 13.09 N ATOM 334 CA CYS A 39 31.432 -17.447 0.008 1.00 13.12 C ATOM 335 C CYS A 39 30.269 -17.640 -0.954 1.00 12.63 C ATOM 336 O CYS A 39 29.804 -16.686 -1.592 1.00 12.39 O ATOM 337 CB CYS A 39 32.704 -18.050 -0.582 1.00 13.88 C ATOM 338 SG CYS A 39 34.216 -17.537 0.264 1.00 16.70 S ATOM 339 H CYS A 39 31.834 -18.737 1.703 1.00 0.00 H ATOM 340 N THR A 40 29.806 -18.884 -1.087 1.00 11.59 N ATOM 341 CA THR A 40 28.754 -19.188 -2.050 1.00 13.89 C ATOM 342 C THR A 40 27.485 -18.419 -1.725 1.00 10.69 C ATOM 343 O THR A 40 26.844 -17.852 -2.614 1.00 10.51 O ATOM 344 CB THR A 40 28.477 -20.690 -2.060 1.00 16.31 C ATOM 345 OG1 THR A 40 29.640 -21.380 -2.528 1.00 14.57 O ATOM 346 CG2 THR A 40 27.311 -21.014 -2.967 1.00 22.76 C ATOM 347 HG1 THR A 40 30.402 -21.186 -1.926 1.00 0.00 H ATOM 348 H THR A 40 30.200 -19.645 -0.498 1.00 0.00 H ATOM 349 N HIS A 41 27.100 -18.408 -0.450 1.00 10.39 N ATOM 350 CA HIS A 41 25.886 -17.714 -0.042 1.00 10.00 C ATOM 351 C HIS A 41 25.998 -16.213 -0.290 1.00 9.93 C ATOM 352 O HIS A 41 25.053 -15.579 -0.773 1.00 9.71 O ATOM 353 CB HIS A 41 25.610 -18.006 1.435 1.00 10.05 C ATOM 354 CG HIS A 41 24.412 -17.297 1.984 1.00 10.25 C ATOM 355 ND1 HIS A 41 24.494 -16.073 2.613 1.00 9.85 N ATOM 356 CD2 HIS A 41 23.102 -17.648 2.012 1.00 9.69 C ATOM 357 CE1 HIS A 41 23.286 -15.702 3.008 1.00 9.75 C ATOM 358 NE2 HIS A 41 22.423 -16.636 2.649 1.00 9.66 N ATOM 359 H HIS A 41 27.674 -18.901 0.264 1.00 0.00 H ATOM 360 N LEU A 42 27.140 -15.621 0.042 1.00 10.19 N ATOM 361 CA LEU A 42 27.294 -14.191 -0.193 1.00 10.23 C ATOM 362 C LEU A 42 27.258 -13.880 -1.681 1.00 10.31 C ATOM 363 O LEU A 42 26.596 -12.927 -2.101 1.00 10.23 O ATOM 364 CB LEU A 42 28.588 -13.680 0.444 1.00 16.51 C ATOM 365 CG LEU A 42 28.753 -12.154 0.469 1.00 28.89 C ATOM 366 CD1 LEU A 42 27.542 -11.435 1.095 1.00 26.00 C ATOM 367 CD2 LEU A 42 30.020 -11.806 1.231 1.00 29.97 C ATOM 368 H LEU A 42 27.915 -16.171 0.464 1.00 0.00 H ATOM 369 N GLU A 43 27.942 -14.684 -2.498 1.00 10.60 N ATOM 370 CA GLU A 43 27.886 -14.464 -3.938 1.00 10.84 C ATOM 371 C GLU A 43 26.452 -14.553 -4.444 1.00 10.50 C ATOM 372 O GLU A 43 26.039 -13.762 -5.297 1.00 10.65 O ATOM 373 CB GLU A 43 28.776 -15.467 -4.665 1.00 17.94 C ATOM 374 CG GLU A 43 29.016 -15.114 -6.129 1.00 23.30 C ATOM 375 CD GLU A 43 29.873 -16.142 -6.840 1.00 32.95 C ATOM 376 OE1 GLU A 43 29.476 -17.327 -6.880 1.00 35.64 O ATOM 377 OE2 GLU A 43 30.951 -15.765 -7.344 1.00 37.35 O ATOM 378 H GLU A 43 28.511 -15.463 -2.110 1.00 0.00 H ATOM 379 N VAL A 44 25.676 -15.519 -3.938 1.00 10.16 N ATOM 380 CA VAL A 44 24.281 -15.627 -4.365 1.00 9.94 C ATOM 381 C VAL A 44 23.506 -14.375 -3.977 1.00 9.79 C ATOM 382 O VAL A 44 22.706 -13.863 -4.762 1.00 9.88 O ATOM 383 CB VAL A 44 23.628 -16.902 -3.796 1.00 9.73 C ATOM 384 CG1 VAL A 44 22.126 -16.861 -3.949 1.00 9.56 C ATOM 385 CG2 VAL A 44 24.161 -18.126 -4.509 1.00 10.00 C ATOM 386 H VAL A 44 26.063 -16.190 -3.244 1.00 0.00 H ATOM 387 N CYS A 45 23.732 -13.854 -2.769 1.00 10.50 N ATOM 388 CA CYS A 45 23.043 -12.633 -2.361 1.00 10.47 C ATOM 389 C CYS A 45 23.366 -11.477 -3.299 1.00 10.86 C ATOM 390 O CYS A 45 22.482 -10.687 -3.642 1.00 10.89 O ATOM 391 CB CYS A 45 23.409 -12.264 -0.925 1.00 11.67 C ATOM 392 SG CYS A 45 22.657 -13.340 0.296 1.00 13.68 S ATOM 393 H CYS A 45 24.398 -14.317 -2.119 1.00 0.00 H ATOM 394 N PHE A 46 24.632 -11.357 -3.722 1.00 10.77 N ATOM 395 CA PHE A 46 24.988 -10.314 -4.682 1.00 11.56 C ATOM 396 C PHE A 46 24.308 -10.547 -6.026 1.00 12.34 C ATOM 397 O PHE A 46 23.802 -9.600 -6.643 1.00 11.77 O ATOM 398 CB PHE A 46 26.508 -10.254 -4.866 1.00 18.15 C ATOM 399 CG PHE A 46 27.261 -9.731 -3.664 1.00 29.60 C ATOM 400 CD1 PHE A 46 26.640 -8.938 -2.712 1.00 32.86 C ATOM 401 CD2 PHE A 46 28.600 -10.034 -3.491 1.00 35.21 C ATOM 402 CE1 PHE A 46 27.344 -8.460 -1.610 1.00 27.95 C ATOM 403 CE2 PHE A 46 29.302 -9.563 -2.392 1.00 31.36 C ATOM 404 CZ PHE A 46 28.671 -8.775 -1.455 1.00 34.02 C ATOM 405 H PHE A 46 25.362 -12.007 -3.367 1.00 0.00 H ATOM 406 N MET A 47 24.297 -11.797 -6.505 1.00 12.37 N ATOM 407 CA MET A 47 23.688 -12.071 -7.804 1.00 12.70 C ATOM 408 C MET A 47 22.195 -11.810 -7.758 1.00 12.53 C ATOM 409 O MET A 47 21.606 -11.370 -8.755 1.00 12.97 O ATOM 410 CB MET A 47 23.947 -13.519 -8.237 1.00 12.98 C ATOM 411 CG MET A 47 25.392 -13.819 -8.597 1.00 16.25 C ATOM 412 SD MET A 47 25.617 -15.488 -9.238 1.00 19.13 S ATOM 413 CE MET A 47 25.556 -16.471 -7.746 1.00 20.15 C ATOM 414 H MET A 47 24.721 -12.571 -5.954 1.00 0.00 H ATOM 415 N TYR A 48 21.582 -12.077 -6.605 1.00 13.16 N ATOM 416 CA TYR A 48 20.159 -11.824 -6.414 1.00 12.79 C ATOM 417 C TYR A 48 19.845 -10.343 -6.586 1.00 17.45 C ATOM 418 O TYR A 48 18.926 -9.969 -7.323 1.00 16.73 O ATOM 419 CB TYR A 48 19.755 -12.311 -5.022 1.00 13.02 C ATOM 420 CG TYR A 48 18.292 -12.660 -4.881 1.00 12.12 C ATOM 421 CD1 TYR A 48 17.350 -11.680 -4.636 1.00 12.34 C ATOM 422 CD2 TYR A 48 17.857 -13.973 -5.008 1.00 12.73 C ATOM 423 CE1 TYR A 48 16.021 -11.988 -4.510 1.00 12.87 C ATOM 424 CE2 TYR A 48 16.521 -14.295 -4.877 1.00 12.57 C ATOM 425 CZ TYR A 48 15.608 -13.289 -4.631 1.00 13.64 C ATOM 426 OH TYR A 48 14.273 -13.562 -4.498 1.00 13.70 O ATOM 427 HH TYR A 48 13.938 -13.978 -5.332 1.00 0.00 H ATOM 428 H TYR A 48 22.134 -12.477 -5.820 1.00 0.00 H ATOM 429 N SER A 49 20.610 -9.479 -5.921 1.00 15.59 N ATOM 430 CA SER A 49 20.357 -8.046 -6.051 1.00 22.10 C ATOM 431 C SER A 49 20.540 -7.579 -7.486 1.00 21.40 C ATOM 432 O SER A 49 19.823 -6.678 -7.936 1.00 19.12 O ATOM 433 CB SER A 49 21.270 -7.245 -5.122 1.00 26.49 C ATOM 434 OG SER A 49 22.612 -7.301 -5.559 1.00 25.30 O ATOM 435 HG SER A 49 22.916 -8.243 -5.568 1.00 0.00 H ATOM 436 H SER A 49 21.382 -9.822 -5.314 1.00 0.00 H ATOM 437 N ASP A 50 21.496 -8.166 -8.215 1.00 19.65 N ATOM 438 CA ASP A 50 21.682 -7.826 -9.623 1.00 26.04 C ATOM 439 C ASP A 50 20.436 -8.104 -10.450 1.00 26.88 C ATOM 440 O ASP A 50 20.299 -7.546 -11.545 1.00 27.10 O ATOM 441 CB ASP A 50 22.859 -8.607 -10.213 1.00 34.76 C ATOM 442 CG ASP A 50 24.202 -8.005 -9.857 1.00 45.06 C ATOM 443 OD1 ASP A 50 24.279 -6.775 -9.651 1.00 50.42 O ATOM 444 OD2 ASP A 50 25.187 -8.771 -9.788 1.00 46.51 O ATOM 445 H ASP A 50 22.116 -8.875 -7.773 1.00 0.00 H ATOM 446 N GLY A 51 19.540 -8.967 -9.965 1.00 26.61 N ATOM 447 CA GLY A 51 18.317 -9.292 -10.678 1.00 26.47 C ATOM 448 C GLY A 51 17.266 -8.204 -10.660 1.00 25.21 C ATOM 449 O GLY A 51 16.311 -8.279 -11.438 1.00 23.33 O ATOM 450 H GLY A 51 19.724 -9.421 -9.047 1.00 0.00 H ATOM 451 N GLY A 52 17.408 -7.203 -9.793 1.00 24.30 N ATOM 452 CA GLY A 52 16.519 -6.067 -9.768 1.00 22.64 C ATOM 453 C GLY A 52 17.241 -4.804 -10.217 1.00 23.74 C ATOM 454 O GLY A 52 18.459 -4.775 -10.398 1.00 21.39 O ATOM 455 H GLY A 52 18.190 -7.242 -9.108 1.00 0.00 H ATOM 456 N SER A 53 16.452 -3.748 -10.401 1.00 25.41 N ATOM 457 CA SER A 53 17.012 -2.430 -10.636 1.00 28.78 C ATOM 458 C SER A 53 17.883 -2.016 -9.449 1.00 24.68 C ATOM 459 O SER A 53 17.836 -2.608 -8.371 1.00 20.53 O ATOM 460 CB SER A 53 15.897 -1.407 -10.843 1.00 33.13 C ATOM 461 OG SER A 53 15.260 -1.096 -9.612 1.00 36.50 O ATOM 462 HG SER A 53 14.543 -0.433 -9.771 1.00 0.00 H ATOM 463 H SER A 53 15.419 -3.869 -10.376 1.00 0.00 H ATOM 464 N LYS A 73 18.669 -0.958 -9.645 1.00 25.49 N ATOM 465 CA LYS A 73 19.485 -0.458 -8.546 1.00 23.18 C ATOM 466 C LYS A 73 18.655 0.116 -7.402 1.00 21.14 C ATOM 467 O LYS A 73 19.213 0.367 -6.331 1.00 21.07 O ATOM 468 CB LYS A 73 20.471 0.596 -9.062 1.00 28.92 C ATOM 469 CG LYS A 73 21.589 0.021 -9.924 1.00 33.24 C ATOM 470 CD LYS A 73 22.497 -0.917 -9.136 1.00 38.43 C ATOM 471 CE LYS A 73 23.390 -1.744 -10.044 1.00 45.75 C ATOM 472 NZ LYS A 73 24.621 -1.015 -10.436 1.00 52.24 N ATOM 473 HZ1 LYS A 73 24.361 -0.145 -10.943 1.00 0.00 H ATOM 474 HZ2 LYS A 73 25.164 -0.771 -9.583 1.00 0.00 H ATOM 475 HZ3 LYS A 73 25.198 -1.619 -11.055 1.00 0.00 H ATOM 476 H LYS A 73 18.700 -0.493 -10.575 1.00 0.00 H ATOM 477 N HIS A 74 17.353 0.327 -7.594 1.00 21.78 N ATOM 478 CA HIS A 74 16.478 0.805 -6.528 1.00 22.27 C ATOM 479 C HIS A 74 15.830 -0.318 -5.727 1.00 23.55 C ATOM 480 O HIS A 74 15.169 -0.043 -4.715 1.00 21.14 O ATOM 481 CB HIS A 74 15.361 1.680 -7.108 1.00 22.92 C ATOM 482 CG HIS A 74 15.852 2.933 -7.766 1.00 26.24 C ATOM 483 ND1 HIS A 74 16.255 4.038 -7.050 1.00 25.49 N ATOM 484 CD2 HIS A 74 16.009 3.251 -9.073 1.00 25.55 C ATOM 485 CE1 HIS A 74 16.640 4.986 -7.887 1.00 25.96 C ATOM 486 NE2 HIS A 74 16.499 4.535 -9.121 1.00 25.61 N ATOM 487 H HIS A 74 16.947 0.145 -8.534 1.00 0.00 H ATOM 488 N ARG A 75 15.992 -1.569 -6.142 1.00 21.10 N ATOM 489 CA ARG A 75 15.066 -2.585 -5.664 1.00 19.49 C ATOM 490 C ARG A 75 15.444 -3.147 -4.296 1.00 17.11 C ATOM 491 O ARG A 75 14.557 -3.388 -3.470 1.00 15.88 O ATOM 492 CB ARG A 75 14.949 -3.719 -6.675 1.00 19.05 C ATOM 493 CG ARG A 75 14.100 -4.826 -6.107 1.00 22.21 C ATOM 494 CD ARG A 75 13.232 -5.502 -7.101 1.00 26.62 C ATOM 495 NE ARG A 75 12.219 -6.278 -6.399 1.00 30.09 N ATOM 496 CZ ARG A 75 11.272 -6.988 -6.999 1.00 34.04 C ATOM 497 NH1 ARG A 75 11.201 -7.011 -8.322 1.00 35.30 N ATOM 498 NH2 ARG A 75 10.396 -7.670 -6.273 1.00 33.84 N ATOM 499 HE ARG A 75 12.239 -6.276 -5.359 1.00 0.00 H ATOM 500 HH12 ARG A 75 10.459 -7.567 -8.793 1.00 0.00 H ATOM 501 HH11 ARG A 75 11.887 -6.473 -8.889 1.00 0.00 H ATOM 502 HH22 ARG A 75 9.653 -8.227 -6.742 1.00 0.00 H ATOM 503 HH21 ARG A 75 10.452 -7.648 -5.235 1.00 0.00 H ATOM 504 H ARG A 75 16.763 -1.817 -6.794 1.00 0.00 H ATOM 505 N PHE A 76 16.731 -3.380 -4.031 1.00 14.05 N ATOM 506 CA PHE A 76 17.130 -4.193 -2.890 1.00 13.40 C ATOM 507 C PHE A 76 18.097 -3.463 -1.968 1.00 13.39 C ATOM 508 O PHE A 76 18.920 -2.644 -2.395 1.00 13.68 O ATOM 509 CB PHE A 76 17.776 -5.507 -3.344 1.00 12.86 C ATOM 510 CG PHE A 76 16.839 -6.432 -4.073 1.00 13.52 C ATOM 511 CD1 PHE A 76 15.764 -7.005 -3.422 1.00 13.68 C ATOM 512 CD2 PHE A 76 17.050 -6.745 -5.408 1.00 15.76 C ATOM 513 CE1 PHE A 76 14.910 -7.863 -4.081 1.00 16.55 C ATOM 514 CE2 PHE A 76 16.201 -7.611 -6.075 1.00 17.94 C ATOM 515 CZ PHE A 76 15.126 -8.170 -5.410 1.00 15.63 C ATOM 516 H PHE A 76 17.462 -2.974 -4.650 1.00 0.00 H ATOM 517 N GLU A 77 17.974 -3.773 -0.680 1.00 14.01 N ATOM 518 CA GLU A 77 19.017 -3.511 0.303 1.00 13.09 C ATOM 519 C GLU A 77 19.631 -4.858 0.664 1.00 13.00 C ATOM 520 O GLU A 77 18.926 -5.750 1.143 1.00 12.89 O ATOM 521 CB GLU A 77 18.448 -2.821 1.542 1.00 13.47 C ATOM 522 CG GLU A 77 19.488 -2.380 2.571 1.00 16.73 C ATOM 523 CD GLU A 77 20.163 -1.058 2.221 1.00 21.84 C ATOM 524 OE1 GLU A 77 19.572 -0.256 1.468 1.00 17.06 O ATOM 525 OE2 GLU A 77 21.293 -0.820 2.701 1.00 18.71 O ATOM 526 H GLU A 77 17.093 -4.223 -0.360 1.00 0.00 H ATOM 527 N ILE A 78 20.924 -5.015 0.402 1.00 11.08 N ATOM 528 CA ILE A 78 21.639 -6.227 0.787 1.00 10.68 C ATOM 529 C ILE A 78 22.049 -6.094 2.245 1.00 10.78 C ATOM 530 O ILE A 78 22.823 -5.203 2.602 1.00 11.08 O ATOM 531 CB ILE A 78 22.867 -6.462 -0.094 1.00 15.09 C ATOM 532 CG1 ILE A 78 22.456 -6.570 -1.561 1.00 22.92 C ATOM 533 CG2 ILE A 78 23.611 -7.724 0.373 1.00 12.33 C ATOM 534 CD1 ILE A 78 23.631 -6.644 -2.493 1.00 31.42 C ATOM 535 H ILE A 78 21.438 -4.256 -0.089 1.00 0.00 H ATOM 536 N ILE A 79 21.542 -6.983 3.086 1.00 10.64 N ATOM 537 CA ILE A 79 21.836 -6.951 4.513 1.00 10.88 C ATOM 538 C ILE A 79 22.961 -7.913 4.874 1.00 10.74 C ATOM 539 O ILE A 79 23.784 -7.614 5.743 1.00 11.05 O ATOM 540 CB ILE A 79 20.544 -7.258 5.297 1.00 17.29 C ATOM 541 CG1 ILE A 79 19.462 -6.239 4.902 1.00 17.32 C ATOM 542 CG2 ILE A 79 20.803 -7.268 6.812 1.00 22.53 C ATOM 543 CD1 ILE A 79 18.111 -6.471 5.531 1.00 15.52 C ATOM 544 H ILE A 79 20.915 -7.726 2.717 1.00 0.00 H ATOM 545 N GLU A 80 22.994 -9.072 4.216 1.00 11.07 N ATOM 546 CA GLU A 80 24.062 -10.047 4.395 1.00 11.03 C ATOM 547 C GLU A 80 25.425 -9.453 4.047 1.00 11.22 C ATOM 548 O GLU A 80 25.552 -8.597 3.173 1.00 13.76 O ATOM 549 CB GLU A 80 23.791 -11.270 3.511 1.00 10.70 C ATOM 550 CG GLU A 80 24.720 -12.469 3.717 1.00 12.78 C ATOM 551 CD GLU A 80 24.793 -12.943 5.161 1.00 13.98 C ATOM 552 OE1 GLU A 80 25.673 -12.444 5.896 1.00 11.63 O ATOM 553 OE2 GLU A 80 23.989 -13.808 5.576 1.00 11.05 O ATOM 554 H GLU A 80 22.227 -9.289 3.548 1.00 0.00 H ATOM 555 N GLY A 81 26.457 -9.946 4.725 1.00 11.72 N ATOM 556 CA GLY A 81 27.820 -9.536 4.460 1.00 12.03 C ATOM 557 C GLY A 81 28.226 -8.225 5.093 1.00 15.44 C ATOM 558 O GLY A 81 29.307 -7.711 4.773 1.00 12.81 O ATOM 559 H GLY A 81 26.279 -10.649 5.470 1.00 0.00 H ATOM 560 N ARG A 82 27.403 -7.678 5.985 1.00 12.41 N ATOM 561 CA ARG A 82 27.691 -6.436 6.675 1.00 13.42 C ATOM 562 C ARG A 82 27.811 -6.708 8.165 1.00 13.46 C ATOM 563 O ARG A 82 27.280 -7.696 8.683 1.00 13.23 O ATOM 564 CB ARG A 82 26.603 -5.392 6.409 1.00 14.63 C ATOM 565 CG ARG A 82 26.526 -5.001 4.940 1.00 13.88 C ATOM 566 CD ARG A 82 25.191 -4.399 4.589 1.00 12.85 C ATOM 567 NE ARG A 82 25.015 -3.063 5.154 1.00 13.07 N ATOM 568 CZ ARG A 82 24.003 -2.262 4.840 1.00 15.52 C ATOM 569 NH1 ARG A 82 23.086 -2.654 3.968 1.00 14.31 N ATOM 570 NH2 ARG A 82 23.907 -1.066 5.388 1.00 14.04 N ATOM 571 HE ARG A 82 25.720 -2.721 5.838 1.00 0.00 H ATOM 572 HH12 ARG A 82 22.296 -2.023 3.726 1.00 0.00 H ATOM 573 HH11 ARG A 82 23.156 -3.593 3.526 1.00 0.00 H ATOM 574 HH22 ARG A 82 23.113 -0.442 5.139 1.00 0.00 H ATOM 575 HH21 ARG A 82 24.625 -0.747 6.069 1.00 0.00 H ATOM 576 H ARG A 82 26.509 -8.166 6.197 1.00 0.00 H ATOM 577 N ASP A 83 28.546 -5.835 8.841 1.00 13.13 N ATOM 578 CA ASP A 83 28.646 -5.885 10.292 1.00 13.73 C ATOM 579 C ASP A 83 27.281 -6.152 10.907 1.00 13.68 C ATOM 580 O ASP A 83 26.331 -5.398 10.686 1.00 13.58 O ATOM 581 CB ASP A 83 29.216 -4.565 10.817 1.00 14.89 C ATOM 582 CG ASP A 83 29.345 -4.558 12.322 1.00 26.22 C ATOM 583 OD1 ASP A 83 30.415 -4.961 12.826 1.00 35.41 O ATOM 584 OD2 ASP A 83 28.366 -4.173 12.996 1.00 25.50 O ATOM 585 H ASP A 83 29.063 -5.097 8.322 1.00 0.00 H ATOM 586 N ARG A 84 27.178 -7.236 11.680 1.00 17.97 N ATOM 587 CA ARG A 84 25.872 -7.677 12.170 1.00 21.23 C ATOM 588 C ARG A 84 25.215 -6.619 13.056 1.00 22.13 C ATOM 589 O ARG A 84 23.997 -6.409 12.988 1.00 23.00 O ATOM 590 CB ARG A 84 26.024 -9.002 12.925 1.00 24.80 C ATOM 591 H ARG A 84 28.033 -7.771 11.936 1.00 0.00 H ATOM 592 N ILE A 85 26.000 -5.933 13.887 1.00 18.91 N ATOM 593 CA ILE A 85 25.424 -4.911 14.755 1.00 18.54 C ATOM 594 C ILE A 85 24.872 -3.756 13.923 1.00 15.78 C ATOM 595 O ILE A 85 23.727 -3.326 14.112 1.00 16.00 O ATOM 596 CB ILE A 85 26.465 -4.438 15.786 1.00 22.47 C ATOM 597 CG1 ILE A 85 26.952 -5.642 16.600 1.00 23.37 C ATOM 598 CG2 ILE A 85 25.867 -3.392 16.671 1.00 23.94 C ATOM 599 CD1 ILE A 85 27.824 -5.317 17.787 1.00 25.35 C ATOM 600 H ILE A 85 27.022 -6.126 13.917 1.00 0.00 H ATOM 601 N MET A 86 25.659 -3.258 12.965 1.00 20.24 N ATOM 602 CA MET A 86 25.167 -2.170 12.124 1.00 23.22 C ATOM 603 C MET A 86 24.023 -2.609 11.224 1.00 25.01 C ATOM 604 O MET A 86 23.122 -1.814 10.945 1.00 24.57 O ATOM 605 CB MET A 86 26.286 -1.591 11.256 1.00 23.13 C ATOM 606 CG MET A 86 27.478 -1.059 12.013 1.00 25.74 C ATOM 607 SD MET A 86 27.097 0.191 13.266 1.00 31.65 S ATOM 608 CE MET A 86 25.625 1.012 12.638 1.00 31.28 C ATOM 609 H MET A 86 26.614 -3.642 12.819 1.00 0.00 H ATOM 610 N ALA A 87 24.044 -3.852 10.745 1.00 24.10 N ATOM 611 CA ALA A 87 22.955 -4.332 9.904 1.00 17.84 C ATOM 612 C ALA A 87 21.602 -4.224 10.611 1.00 19.18 C ATOM 613 O ALA A 87 20.582 -3.950 9.970 1.00 16.01 O ATOM 614 CB ALA A 87 23.227 -5.773 9.479 1.00 14.57 C ATOM 615 H ALA A 87 24.840 -4.482 10.972 1.00 0.00 H ATOM 616 N TRP A 88 21.568 -4.438 11.930 1.00 20.04 N ATOM 617 CA TRP A 88 20.300 -4.346 12.656 1.00 19.25 C ATOM 618 C TRP A 88 19.787 -2.911 12.713 1.00 20.37 C ATOM 619 O TRP A 88 18.573 -2.691 12.783 1.00 18.85 O ATOM 620 CB TRP A 88 20.442 -4.912 14.077 1.00 18.11 C ATOM 621 CG TRP A 88 20.195 -6.387 14.151 1.00 16.91 C ATOM 622 CD1 TRP A 88 21.117 -7.362 14.389 1.00 16.77 C ATOM 623 CD2 TRP A 88 18.938 -7.061 13.954 1.00 19.95 C ATOM 624 NE1 TRP A 88 20.511 -8.603 14.361 1.00 17.47 N ATOM 625 CE2 TRP A 88 19.178 -8.442 14.095 1.00 17.58 C ATOM 626 CE3 TRP A 88 17.639 -6.627 13.672 1.00 21.02 C ATOM 627 CZ2 TRP A 88 18.167 -9.396 13.963 1.00 20.88 C ATOM 628 CZ3 TRP A 88 16.631 -7.580 13.541 1.00 21.17 C ATOM 629 CH2 TRP A 88 16.904 -8.948 13.691 1.00 23.27 C ATOM 630 HE1 TRP A 88 20.990 -9.513 14.517 1.00 0.00 H ATOM 631 H TRP A 88 22.443 -4.670 12.441 1.00 0.00 H ATOM 632 N THR A 89 20.681 -1.925 12.681 1.00 16.23 N ATOM 633 CA THR A 89 20.228 -0.539 12.672 1.00 27.17 C ATOM 634 C THR A 89 19.608 -0.181 11.332 1.00 22.41 C ATOM 635 O THR A 89 18.634 0.581 11.275 1.00 22.45 O ATOM 636 CB THR A 89 21.388 0.402 12.978 1.00 32.57 C ATOM 637 OG1 THR A 89 22.269 0.474 11.848 1.00 38.35 O ATOM 638 CG2 THR A 89 22.143 -0.093 14.178 1.00 27.75 C ATOM 639 HG1 THR A 89 22.624 -0.429 11.649 1.00 0.00 H ATOM 640 H THR A 89 21.698 -2.142 12.663 1.00 0.00 H ATOM 641 N VAL A 90 20.163 -0.715 10.241 1.00 20.93 N ATOM 642 CA VAL A 90 19.543 -0.523 8.936 1.00 20.36 C ATOM 643 C VAL A 90 18.174 -1.187 8.904 1.00 18.11 C ATOM 644 O VAL A 90 17.199 -0.601 8.423 1.00 15.62 O ATOM 645 CB VAL A 90 20.465 -1.052 7.823 1.00 24.22 C ATOM 646 CG1 VAL A 90 19.783 -0.936 6.473 1.00 23.00 C ATOM 647 CG2 VAL A 90 21.776 -0.273 7.825 1.00 28.66 C ATOM 648 H VAL A 90 21.039 -1.269 10.323 1.00 0.00 H ATOM 649 N VAL A 91 18.078 -2.416 9.419 1.00 14.36 N ATOM 650 CA VAL A 91 16.779 -3.076 9.532 1.00 14.53 C ATOM 651 C VAL A 91 15.807 -2.210 10.325 1.00 15.55 C ATOM 652 O VAL A 91 14.647 -2.040 9.934 1.00 15.87 O ATOM 653 CB VAL A 91 16.940 -4.477 10.159 1.00 18.02 C ATOM 654 CG1 VAL A 91 15.591 -5.103 10.487 1.00 16.93 C ATOM 655 CG2 VAL A 91 17.705 -5.387 9.214 1.00 23.21 C ATOM 656 H VAL A 91 18.936 -2.908 9.742 1.00 0.00 H ATOM 657 N ASN A 92 16.260 -1.640 11.444 1.00 19.16 N ATOM 658 CA ASN A 92 15.362 -0.816 12.246 1.00 22.82 C ATOM 659 C ASN A 92 14.932 0.442 11.499 1.00 19.80 C ATOM 660 O ASN A 92 13.769 0.851 11.590 1.00 20.09 O ATOM 661 CB ASN A 92 16.020 -0.468 13.576 1.00 31.01 C ATOM 662 CG ASN A 92 15.755 -1.519 14.627 1.00 38.01 C ATOM 663 OD1 ASN A 92 16.671 -2.163 15.127 1.00 38.59 O ATOM 664 ND2 ASN A 92 14.483 -1.718 14.946 1.00 40.80 N ATOM 665 HD22 ASN A 92 13.739 -1.148 14.496 1.00 0.00 H ATOM 666 HD21 ASN A 92 14.230 -2.444 15.646 1.00 0.00 H ATOM 667 H ASN A 92 17.246 -1.782 11.742 1.00 0.00 H ATOM 668 N SER A 93 15.845 1.068 10.755 1.00 18.73 N ATOM 669 CA SER A 93 15.468 2.250 9.981 1.00 23.11 C ATOM 670 C SER A 93 14.410 1.904 8.944 1.00 23.33 C ATOM 671 O SER A 93 13.436 2.648 8.767 1.00 28.25 O ATOM 672 CB SER A 93 16.695 2.859 9.306 1.00 27.28 C ATOM 673 OG SER A 93 17.621 3.316 10.269 1.00 29.82 O ATOM 674 HG SER A 93 17.911 2.556 10.833 1.00 0.00 H ATOM 675 H SER A 93 16.823 0.716 10.725 1.00 0.00 H ATOM 676 N ILE A 94 14.573 0.764 8.266 1.00 20.43 N ATOM 677 CA ILE A 94 13.589 0.326 7.276 1.00 20.43 C ATOM 678 C ILE A 94 12.241 0.087 7.942 1.00 22.69 C ATOM 679 O ILE A 94 11.196 0.537 7.453 1.00 23.14 O ATOM 680 CB ILE A 94 14.090 -0.938 6.549 1.00 18.85 C ATOM 681 CG1 ILE A 94 15.274 -0.601 5.639 1.00 20.09 C ATOM 682 CG2 ILE A 94 12.975 -1.591 5.727 1.00 20.62 C ATOM 683 CD1 ILE A 94 16.008 -1.831 5.108 1.00 18.99 C ATOM 684 H ILE A 94 15.414 0.178 8.445 1.00 0.00 H ATOM 685 N CYS A 95 12.242 -0.647 9.058 1.00 22.11 N ATOM 686 CA CYS A 95 10.989 -0.965 9.736 1.00 24.00 C ATOM 687 C CYS A 95 10.320 0.292 10.271 1.00 26.96 C ATOM 688 O CYS A 95 9.093 0.426 10.211 1.00 28.75 O ATOM 689 CB CYS A 95 11.242 -1.956 10.872 1.00 28.01 C ATOM 690 SG CYS A 95 11.757 -3.595 10.304 1.00 29.82 S ATOM 691 H CYS A 95 13.142 -0.994 9.447 1.00 0.00 H ATOM 692 N ASN A 96 11.110 1.220 10.811 1.00 30.22 N ATOM 693 CA ASN A 96 10.541 2.457 11.334 1.00 34.75 C ATOM 694 C ASN A 96 9.913 3.296 10.224 1.00 39.09 C ATOM 695 O ASN A 96 8.871 3.930 10.430 1.00 40.90 O ATOM 696 CB ASN A 96 11.617 3.260 12.065 1.00 37.60 C ATOM 697 CG ASN A 96 12.013 2.638 13.391 1.00 40.97 C ATOM 698 OD1 ASN A 96 11.248 1.887 13.995 1.00 42.54 O ATOM 699 ND2 ASN A 96 13.211 2.957 13.854 1.00 40.54 N ATOM 700 HD22 ASN A 96 13.825 3.596 13.310 1.00 0.00 H ATOM 701 HD21 ASN A 96 13.538 2.569 14.762 1.00 0.00 H ATOM 702 H ASN A 96 12.137 1.061 10.860 1.00 0.00 H ATOM 703 N THR A 97 10.533 3.329 9.046 1.00 33.62 N ATOM 704 CA THR A 97 10.020 4.186 7.981 1.00 40.05 C ATOM 705 C THR A 97 8.909 3.528 7.168 1.00 36.14 C ATOM 706 O THR A 97 7.923 4.194 6.834 1.00 37.87 O ATOM 707 CB THR A 97 11.152 4.612 7.043 1.00 49.13 C ATOM 708 OG1 THR A 97 11.781 3.452 6.489 1.00 59.31 O ATOM 709 CG2 THR A 97 12.177 5.440 7.789 1.00 42.60 C ATOM 710 HG1 THR A 97 12.151 2.898 7.221 1.00 0.00 H ATOM 711 H THR A 97 11.379 2.747 8.885 1.00 0.00 H ATOM 712 N THR A 98 9.043 2.237 6.839 1.00 36.22 N ATOM 713 CA THR A 98 8.056 1.542 6.016 1.00 38.60 C ATOM 714 C THR A 98 6.907 0.953 6.818 1.00 39.63 C ATOM 715 O THR A 98 5.862 0.642 6.237 1.00 40.84 O ATOM 716 CB THR A 98 8.703 0.396 5.226 1.00 35.17 C ATOM 717 OG1 THR A 98 9.097 -0.650 6.127 1.00 33.33 O ATOM 718 CG2 THR A 98 9.912 0.882 4.434 1.00 32.95 C ATOM 719 HG1 THR A 98 9.748 -0.293 6.781 1.00 0.00 H ATOM 720 H THR A 98 9.875 1.713 7.179 1.00 0.00 H ATOM 721 N GLY A 99 7.073 0.782 8.125 1.00 36.09 N ATOM 722 CA GLY A 99 6.075 0.101 8.919 1.00 37.26 C ATOM 723 C GLY A 99 6.056 -1.400 8.751 1.00 38.24 C ATOM 724 O GLY A 99 5.131 -2.052 9.245 1.00 42.09 O ATOM 725 H GLY A 99 7.934 1.143 8.584 1.00 0.00 H ATOM 726 N VAL A 100 7.039 -1.972 8.055 1.00 35.73 N ATOM 727 CA VAL A 100 7.145 -3.421 7.970 1.00 35.20 C ATOM 728 C VAL A 100 7.500 -3.976 9.343 1.00 34.16 C ATOM 729 O VAL A 100 8.265 -3.367 10.103 1.00 33.27 O ATOM 730 CB VAL A 100 8.187 -3.818 6.907 1.00 33.85 C ATOM 731 CG1 VAL A 100 8.439 -5.325 6.912 1.00 34.42 C ATOM 732 CG2 VAL A 100 7.723 -3.376 5.523 1.00 31.23 C ATOM 733 H VAL A 100 7.738 -1.376 7.567 1.00 0.00 H ATOM 734 N GLU A 101 6.941 -5.138 9.668 1.00 33.00 N ATOM 735 CA GLU A 101 7.206 -5.765 10.956 1.00 37.77 C ATOM 736 C GLU A 101 8.682 -6.126 11.079 1.00 34.91 C ATOM 737 O GLU A 101 9.318 -6.549 10.112 1.00 30.81 O ATOM 738 CB GLU A 101 6.343 -7.019 11.118 1.00 39.58 C ATOM 739 H GLU A 101 6.305 -5.607 8.992 1.00 0.00 H ATOM 740 N LYS A 102 9.223 -5.959 12.276 1.00 33.35 N ATOM 741 CA LYS A 102 10.639 -6.221 12.511 1.00 35.02 C ATOM 742 C LYS A 102 10.899 -7.722 12.547 1.00 33.53 C ATOM 743 O LYS A 102 10.287 -8.426 13.362 1.00 33.14 O ATOM 744 CB LYS A 102 11.086 -5.581 13.818 1.00 40.37 C ATOM 745 CG LYS A 102 12.517 -5.918 14.215 1.00 45.37 C ATOM 746 CD LYS A 102 13.229 -4.703 14.782 1.00 53.79 C ATOM 747 CE LYS A 102 14.697 -4.995 15.056 1.00 59.47 C ATOM 748 NZ LYS A 102 14.958 -5.514 16.432 1.00 62.88 N ATOM 749 HZ1 LYS A 102 14.645 -4.811 17.132 1.00 0.00 H ATOM 750 HZ2 LYS A 102 14.433 -6.401 16.572 1.00 0.00 H ATOM 751 HZ3 LYS A 102 15.976 -5.690 16.547 1.00 0.00 H ATOM 752 H LYS A 102 8.627 -5.635 13.064 1.00 0.00 H ATOM 753 N PRO A 103 11.793 -8.252 11.714 1.00 29.21 N ATOM 754 CA PRO A 103 12.063 -9.692 11.761 1.00 28.35 C ATOM 755 C PRO A 103 12.778 -10.078 13.047 1.00 26.86 C ATOM 756 O PRO A 103 13.505 -9.283 13.650 1.00 24.15 O ATOM 757 CB PRO A 103 12.949 -9.928 10.530 1.00 26.07 C ATOM 758 CG PRO A 103 13.649 -8.637 10.322 1.00 29.94 C ATOM 759 CD PRO A 103 12.702 -7.551 10.787 1.00 28.80 C ATOM 760 N LYS A 104 12.536 -11.316 13.480 1.00 31.53 N ATOM 761 CA LYS A 104 13.203 -11.840 14.667 1.00 32.69 C ATOM 762 C LYS A 104 14.637 -12.256 14.369 1.00 34.14 C ATOM 763 O LYS A 104 15.488 -12.228 15.267 1.00 33.60 O ATOM 764 CB LYS A 104 12.418 -13.028 15.229 1.00 34.84 C ATOM 765 H LYS A 104 11.862 -11.917 12.964 1.00 0.00 H ATOM 766 N PHE A 105 14.923 -12.639 13.128 1.00 29.32 N ATOM 767 CA PHE A 105 16.269 -12.993 12.705 1.00 30.35 C ATOM 768 C PHE A 105 16.714 -12.055 11.591 1.00 23.82 C ATOM 769 O PHE A 105 15.910 -11.649 10.744 1.00 23.81 O ATOM 770 CB PHE A 105 16.330 -14.449 12.231 1.00 37.15 C ATOM 771 CG PHE A 105 15.802 -15.429 13.242 1.00 41.65 C ATOM 772 CD1 PHE A 105 16.515 -15.702 14.402 1.00 44.36 C ATOM 773 CD2 PHE A 105 14.587 -16.064 13.043 1.00 44.95 C ATOM 774 CE1 PHE A 105 16.026 -16.598 15.341 1.00 47.61 C ATOM 775 CE2 PHE A 105 14.092 -16.961 13.979 1.00 47.11 C ATOM 776 CZ PHE A 105 14.812 -17.227 15.128 1.00 49.26 C ATOM 777 H PHE A 105 14.153 -12.687 12.431 1.00 0.00 H ATOM 778 N LEU A 106 17.989 -11.713 11.605 1.00 19.44 N ATOM 779 CA LEU A 106 18.552 -10.830 10.603 1.00 20.52 C ATOM 780 C LEU A 106 18.410 -11.459 9.222 1.00 17.21 C ATOM 781 O LEU A 106 18.961 -12.547 8.989 1.00 15.64 O ATOM 782 CB LEU A 106 20.010 -10.576 10.904 1.00 20.41 C ATOM 783 CG LEU A 106 20.654 -9.465 10.092 1.00 22.30 C ATOM 784 CD1 LEU A 106 20.147 -8.107 10.584 1.00 22.03 C ATOM 785 CD2 LEU A 106 22.160 -9.563 10.216 1.00 23.46 C ATOM 786 H LEU A 106 18.605 -12.087 12.355 1.00 0.00 H ATOM 787 N PRO A 107 17.693 -10.833 8.291 1.00 14.86 N ATOM 788 CA PRO A 107 17.543 -11.429 6.956 1.00 12.84 C ATOM 789 C PRO A 107 18.727 -11.153 6.041 1.00 10.82 C ATOM 790 O PRO A 107 19.743 -10.593 6.472 1.00 10.89 O ATOM 791 CB PRO A 107 16.266 -10.770 6.413 1.00 20.17 C ATOM 792 CG PRO A 107 15.719 -9.929 7.536 1.00 29.64 C ATOM 793 CD PRO A 107 16.853 -9.637 8.445 1.00 20.92 C ATOM 794 N ASP A 108 18.597 -11.531 4.768 1.00 10.41 N ATOM 795 CA ASP A 108 19.653 -11.323 3.784 1.00 10.07 C ATOM 796 C ASP A 108 19.424 -10.102 2.901 1.00 10.10 C ATOM 797 O ASP A 108 20.396 -9.459 2.487 1.00 10.07 O ATOM 798 CB ASP A 108 19.798 -12.545 2.874 1.00 9.76 C ATOM 799 CG ASP A 108 20.341 -13.760 3.595 1.00 9.78 C ATOM 800 OD1 ASP A 108 19.798 -14.864 3.376 1.00 9.75 O ATOM 801 OD2 ASP A 108 21.309 -13.621 4.359 1.00 9.93 O ATOM 802 H ASP A 108 17.713 -11.989 4.467 1.00 0.00 H ATOM 803 N LEU A 109 18.172 -9.783 2.589 1.00 10.28 N ATOM 804 CA LEU A 109 17.841 -8.636 1.756 1.00 10.47 C ATOM 805 C LEU A 109 16.549 -8.008 2.255 1.00 10.95 C ATOM 806 O LEU A 109 15.723 -8.661 2.902 1.00 11.11 O ATOM 807 CB LEU A 109 17.625 -9.000 0.272 1.00 16.43 C ATOM 808 CG LEU A 109 18.618 -9.727 -0.639 1.00 27.85 C ATOM 809 CD1 LEU A 109 19.939 -9.021 -0.698 1.00 27.70 C ATOM 810 CD2 LEU A 109 18.794 -11.177 -0.247 1.00 45.79 C ATOM 811 H LEU A 109 17.399 -10.376 2.954 1.00 0.00 H ATOM 812 N TYR A 110 16.370 -6.736 1.905 1.00 12.24 N ATOM 813 CA TYR A 110 15.067 -6.089 1.930 1.00 12.81 C ATOM 814 C TYR A 110 14.671 -5.729 0.502 1.00 12.96 C ATOM 815 O TYR A 110 15.482 -5.182 -0.254 1.00 13.24 O ATOM 816 CB TYR A 110 15.064 -4.834 2.805 1.00 13.35 C ATOM 817 CG TYR A 110 13.693 -4.198 2.904 1.00 14.10 C ATOM 818 CD1 TYR A 110 13.403 -3.008 2.247 1.00 14.85 C ATOM 819 CD2 TYR A 110 12.679 -4.805 3.637 1.00 15.42 C ATOM 820 CE1 TYR A 110 12.139 -2.435 2.331 1.00 18.27 C ATOM 821 CE2 TYR A 110 11.424 -4.239 3.730 1.00 17.35 C ATOM 822 CZ TYR A 110 11.160 -3.054 3.074 1.00 19.51 C ATOM 823 OH TYR A 110 9.901 -2.498 3.167 1.00 22.14 O ATOM 824 HH TYR A 110 9.873 -1.657 2.645 1.00 0.00 H ATOM 825 H TYR A 110 17.196 -6.182 1.601 1.00 0.00 H ATOM 826 N ASP A 111 13.426 -6.035 0.147 1.00 13.47 N ATOM 827 CA ASP A 111 12.858 -5.737 -1.165 1.00 15.95 C ATOM 828 C ASP A 111 12.076 -4.430 -1.050 1.00 16.12 C ATOM 829 O ASP A 111 10.999 -4.397 -0.445 1.00 17.25 O ATOM 830 CB ASP A 111 11.964 -6.897 -1.618 1.00 16.21 C ATOM 831 CG ASP A 111 11.406 -6.721 -3.025 1.00 17.05 C ATOM 832 OD1 ASP A 111 11.318 -5.580 -3.526 1.00 16.27 O ATOM 833 OD2 ASP A 111 11.028 -7.743 -3.628 1.00 16.18 O ATOM 834 H ASP A 111 12.822 -6.514 0.845 1.00 0.00 H ATOM 835 N TYR A 112 12.630 -3.349 -1.610 1.00 16.53 N ATOM 836 CA TYR A 112 11.971 -2.046 -1.537 1.00 17.99 C ATOM 837 C TYR A 112 10.714 -1.979 -2.398 1.00 20.95 C ATOM 838 O TYR A 112 9.878 -1.093 -2.184 1.00 22.28 O ATOM 839 CB TYR A 112 12.933 -0.931 -1.967 1.00 17.89 C ATOM 840 CG TYR A 112 14.010 -0.571 -0.953 1.00 17.23 C ATOM 841 CD1 TYR A 112 13.693 0.088 0.231 1.00 18.39 C ATOM 842 CD2 TYR A 112 15.345 -0.873 -1.191 1.00 18.12 C ATOM 843 CE1 TYR A 112 14.673 0.425 1.157 1.00 20.09 C ATOM 844 CE2 TYR A 112 16.333 -0.535 -0.273 1.00 18.47 C ATOM 845 CZ TYR A 112 15.991 0.114 0.896 1.00 21.24 C ATOM 846 OH TYR A 112 16.975 0.445 1.810 1.00 19.52 O ATOM 847 HH TYR A 112 17.431 -0.379 2.115 1.00 0.00 H ATOM 848 H TYR A 112 13.541 -3.437 -2.104 1.00 0.00 H ATOM 849 N LYS A 113 10.564 -2.875 -3.374 1.00 22.49 N ATOM 850 CA LYS A 113 9.382 -2.841 -4.226 1.00 28.99 C ATOM 851 C LYS A 113 8.213 -3.538 -3.540 1.00 26.22 C ATOM 852 O LYS A 113 7.151 -2.938 -3.339 1.00 26.24 O ATOM 853 CB LYS A 113 9.692 -3.480 -5.583 1.00 40.84 C ATOM 854 CG LYS A 113 10.898 -2.860 -6.296 1.00 52.70 C ATOM 855 CD LYS A 113 10.540 -1.579 -7.062 1.00 53.15 C ATOM 856 CE LYS A 113 11.694 -0.578 -7.078 1.00 56.07 C ATOM 857 NZ LYS A 113 11.828 0.130 -5.771 1.00 46.55 N ATOM 858 HZ1 LYS A 113 10.949 0.646 -5.566 1.00 0.00 H ATOM 859 HZ2 LYS A 113 12.007 -0.565 -5.018 1.00 0.00 H ATOM 860 HZ3 LYS A 113 12.621 0.801 -5.821 1.00 0.00 H ATOM 861 H LYS A 113 11.293 -3.601 -3.528 1.00 0.00 H ATOM 862 N GLU A 114 8.404 -4.802 -3.154 1.00 22.29 N ATOM 863 CA GLU A 114 7.383 -5.572 -2.452 1.00 25.05 C ATOM 864 C GLU A 114 7.338 -5.277 -0.960 1.00 26.22 C ATOM 865 O GLU A 114 6.474 -5.824 -0.266 1.00 27.82 O ATOM 866 CB GLU A 114 7.627 -7.069 -2.650 1.00 24.76 C ATOM 867 CG GLU A 114 7.682 -7.516 -4.097 1.00 31.11 C ATOM 868 CD GLU A 114 6.322 -7.503 -4.773 1.00 38.66 C ATOM 869 OE1 GLU A 114 6.277 -7.373 -6.017 1.00 46.62 O ATOM 870 OE2 GLU A 114 5.302 -7.627 -4.062 1.00 42.62 O ATOM 871 H GLU A 114 9.317 -5.255 -3.362 1.00 0.00 H ATOM 872 N ASN A 115 8.254 -4.449 -0.459 1.00 22.60 N ATOM 873 CA ASN A 115 8.331 -4.083 0.954 1.00 25.80 C ATOM 874 C ASN A 115 8.223 -5.314 1.856 1.00 22.31 C ATOM 875 O ASN A 115 7.295 -5.478 2.649 1.00 20.90 O ATOM 876 CB ASN A 115 7.270 -3.037 1.295 1.00 33.29 C ATOM 877 CG ASN A 115 7.638 -1.660 0.778 1.00 37.91 C ATOM 878 OD1 ASN A 115 8.488 -0.969 1.356 1.00 38.78 O ATOM 879 ND2 ASN A 115 7.018 -1.261 -0.324 1.00 37.38 N ATOM 880 HD22 ASN A 115 6.311 -1.876 -0.775 1.00 0.00 H ATOM 881 HD21 ASN A 115 7.239 -0.333 -0.738 1.00 0.00 H ATOM 882 H ASN A 115 8.954 -4.040 -1.110 1.00 0.00 H ATOM 883 N ARG A 116 9.221 -6.182 1.726 1.00 20.23 N ATOM 884 CA ARG A 116 9.342 -7.347 2.583 1.00 18.94 C ATOM 885 C ARG A 116 10.810 -7.732 2.641 1.00 14.51 C ATOM 886 O ARG A 116 11.575 -7.464 1.711 1.00 14.06 O ATOM 887 CB ARG A 116 8.496 -8.523 2.077 1.00 18.01 C ATOM 888 CG ARG A 116 8.921 -9.049 0.708 1.00 17.23 C ATOM 889 CD ARG A 116 7.893 -10.005 0.103 1.00 21.03 C ATOM 890 NE ARG A 116 8.273 -10.405 -1.250 1.00 24.07 N ATOM 891 CZ ARG A 116 7.458 -10.973 -2.137 1.00 27.70 C ATOM 892 NH1 ARG A 116 6.186 -11.219 -1.842 1.00 24.66 N ATOM 893 NH2 ARG A 116 7.922 -11.298 -3.332 1.00 28.81 N ATOM 894 HE ARG A 116 9.256 -10.233 -1.543 1.00 0.00 H ATOM 895 HH12 ARG A 116 5.565 -11.663 -2.548 1.00 0.00 H ATOM 896 HH11 ARG A 116 5.811 -10.967 -0.905 1.00 0.00 H ATOM 897 HH22 ARG A 116 7.293 -11.742 -4.031 1.00 0.00 H ATOM 898 HH21 ARG A 116 8.916 -11.110 -3.573 1.00 0.00 H ATOM 899 H ARG A 116 9.936 -6.022 0.988 1.00 0.00 H ATOM 900 N PHE A 117 11.203 -8.322 3.760 1.00 14.07 N ATOM 901 CA PHE A 117 12.539 -8.877 3.858 1.00 13.58 C ATOM 902 C PHE A 117 12.572 -10.227 3.154 1.00 13.82 C ATOM 903 O PHE A 117 11.538 -10.876 2.950 1.00 13.18 O ATOM 904 CB PHE A 117 12.961 -9.011 5.324 1.00 15.31 C ATOM 905 CG PHE A 117 13.182 -7.692 6.012 1.00 15.88 C ATOM 906 CD1 PHE A 117 14.378 -7.008 5.866 1.00 14.13 C ATOM 907 CD2 PHE A 117 12.191 -7.133 6.807 1.00 20.77 C ATOM 908 CE1 PHE A 117 14.588 -5.782 6.495 1.00 14.14 C ATOM 909 CE2 PHE A 117 12.395 -5.913 7.439 1.00 21.47 C ATOM 910 CZ PHE A 117 13.594 -5.238 7.283 1.00 18.18 C ATOM 911 H PHE A 117 10.553 -8.387 4.569 1.00 0.00 H ATOM 912 N ILE A 118 13.777 -10.638 2.766 1.00 12.56 N ATOM 913 CA ILE A 118 14.003 -11.890 2.056 1.00 12.89 C ATOM 914 C ILE A 118 15.078 -12.671 2.798 1.00 12.28 C ATOM 915 O ILE A 118 16.128 -12.113 3.136 1.00 11.70 O ATOM 916 CB ILE A 118 14.442 -11.651 0.599 1.00 14.20 C ATOM 917 CG1 ILE A 118 13.390 -10.830 -0.148 1.00 16.00 C ATOM 918 CG2 ILE A 118 14.703 -12.989 -0.103 1.00 12.41 C ATOM 919 CD1 ILE A 118 13.813 -10.388 -1.536 1.00 18.43 C ATOM 920 H ILE A 118 14.597 -10.036 2.980 1.00 0.00 H ATOM 921 N GLU A 119 14.822 -13.958 3.034 1.00 12.22 N ATOM 922 CA GLU A 119 15.841 -14.895 3.493 1.00 12.01 C ATOM 923 C GLU A 119 16.246 -15.778 2.316 1.00 11.64 C ATOM 924 O GLU A 119 15.390 -16.408 1.680 1.00 11.73 O ATOM 925 CB GLU A 119 15.335 -15.746 4.659 1.00 12.48 C ATOM 926 CG GLU A 119 16.308 -16.842 5.108 1.00 13.19 C ATOM 927 CD GLU A 119 17.677 -16.298 5.488 1.00 14.71 C ATOM 928 OE1 GLU A 119 18.681 -17.020 5.281 1.00 12.37 O ATOM 929 OE2 GLU A 119 17.751 -15.152 5.994 1.00 15.89 O ATOM 930 H GLU A 119 13.854 -14.309 2.884 1.00 0.00 H ATOM 931 N ILE A 120 17.544 -15.799 2.010 1.00 9.74 N ATOM 932 CA ILE A 120 18.088 -16.617 0.933 1.00 9.52 C ATOM 933 C ILE A 120 18.711 -17.866 1.530 1.00 9.59 C ATOM 934 O ILE A 120 19.581 -17.782 2.404 1.00 9.67 O ATOM 935 CB ILE A 120 19.130 -15.839 0.106 1.00 10.17 C ATOM 936 CG1 ILE A 120 18.506 -14.591 -0.533 1.00 15.24 C ATOM 937 CG2 ILE A 120 19.765 -16.741 -0.962 1.00 9.27 C ATOM 938 CD1 ILE A 120 17.394 -14.865 -1.506 1.00 19.62 C ATOM 939 H ILE A 120 18.196 -15.207 2.563 1.00 0.00 H ATOM 940 N GLY A 121 18.297 -19.024 1.035 1.00 10.28 N ATOM 941 CA GLY A 121 18.907 -20.293 1.394 1.00 10.43 C ATOM 942 C GLY A 121 19.669 -20.844 0.204 1.00 10.33 C ATOM 943 O GLY A 121 19.197 -20.775 -0.934 1.00 10.91 O ATOM 944 H GLY A 121 17.504 -19.024 0.363 1.00 0.00 H ATOM 945 N VAL A 122 20.862 -21.358 0.468 1.00 10.34 N ATOM 946 CA VAL A 122 21.660 -22.069 -0.522 1.00 11.32 C ATOM 947 C VAL A 122 22.038 -23.388 0.124 1.00 10.82 C ATOM 948 O VAL A 122 22.758 -23.395 1.129 1.00 11.02 O ATOM 949 CB VAL A 122 22.918 -21.286 -0.932 1.00 11.43 C ATOM 950 CG1 VAL A 122 23.699 -22.045 -1.979 1.00 12.57 C ATOM 951 CG2 VAL A 122 22.544 -19.894 -1.430 1.00 13.02 C ATOM 952 H VAL A 122 21.247 -21.248 1.428 1.00 0.00 H ATOM 953 N THR A 123 21.546 -24.499 -0.430 1.00 10.50 N ATOM 954 CA THR A 123 21.621 -25.767 0.275 1.00 10.97 C ATOM 955 C THR A 123 22.187 -26.869 -0.608 1.00 11.31 C ATOM 956 O THR A 123 21.949 -26.907 -1.818 1.00 11.23 O ATOM 957 CB THR A 123 20.231 -26.171 0.826 1.00 11.11 C ATOM 958 OG1 THR A 123 20.352 -27.374 1.591 1.00 11.82 O ATOM 959 CG2 THR A 123 19.226 -26.366 -0.284 1.00 11.02 C ATOM 960 HG1 THR A 123 20.975 -27.223 2.345 1.00 0.00 H ATOM 961 H THR A 123 21.107 -24.456 -1.372 1.00 0.00 H ATOM 962 N ARG A 124 22.973 -27.738 0.016 1.00 13.46 N ATOM 963 CA ARG A 124 23.359 -29.022 -0.550 1.00 13.99 C ATOM 964 C ARG A 124 22.380 -30.123 -0.166 1.00 14.37 C ATOM 965 O ARG A 124 22.531 -31.269 -0.616 1.00 15.05 O ATOM 966 CB ARG A 124 24.774 -29.384 -0.091 1.00 14.51 C ATOM 967 CG ARG A 124 25.844 -28.380 -0.554 1.00 14.31 C ATOM 968 CD ARG A 124 26.112 -27.278 0.454 1.00 14.22 C ATOM 969 NE ARG A 124 27.008 -27.727 1.519 1.00 17.65 N ATOM 970 CZ ARG A 124 27.267 -27.046 2.632 1.00 18.05 C ATOM 971 NH1 ARG A 124 28.096 -27.556 3.529 1.00 16.97 N ATOM 972 NH2 ARG A 124 26.695 -25.867 2.863 1.00 17.05 N ATOM 973 HE ARG A 124 27.478 -28.647 1.397 1.00 0.00 H ATOM 974 HH12 ARG A 124 28.305 -27.031 4.402 1.00 0.00 H ATOM 975 HH11 ARG A 124 28.539 -28.482 3.361 1.00 0.00 H ATOM 976 HH22 ARG A 124 26.909 -25.348 3.738 1.00 0.00 H ATOM 977 HH21 ARG A 124 26.034 -25.465 2.168 1.00 0.00 H ATOM 978 H ARG A 124 23.332 -27.488 0.959 1.00 0.00 H ATOM 979 N ARG A 125 21.388 -29.801 0.657 1.00 14.04 N ATOM 980 CA ARG A 125 20.312 -30.725 0.984 1.00 15.27 C ATOM 981 C ARG A 125 19.166 -30.527 -0.009 1.00 15.12 C ATOM 982 O ARG A 125 19.273 -29.775 -0.981 1.00 17.24 O ATOM 983 CB ARG A 125 19.857 -30.519 2.431 1.00 15.64 C ATOM 984 CG ARG A 125 20.911 -30.876 3.477 1.00 17.96 C ATOM 985 CD ARG A 125 20.555 -30.310 4.857 1.00 20.62 C ATOM 986 NE ARG A 125 19.416 -31.013 5.449 1.00 20.59 N ATOM 987 CZ ARG A 125 18.666 -30.542 6.442 1.00 24.04 C ATOM 988 NH1 ARG A 125 18.913 -29.351 6.974 1.00 23.25 N ATOM 989 NH2 ARG A 125 17.650 -31.264 6.900 1.00 24.08 N ATOM 990 HE ARG A 125 19.175 -31.949 5.065 1.00 0.00 H ATOM 991 HH12 ARG A 125 18.319 -28.995 7.750 1.00 0.00 H ATOM 992 HH11 ARG A 125 19.700 -28.774 6.615 1.00 0.00 H ATOM 993 HH22 ARG A 125 17.061 -30.900 7.676 1.00 0.00 H ATOM 994 HH21 ARG A 125 17.443 -32.194 6.483 1.00 0.00 H ATOM 995 H ARG A 125 21.380 -28.853 1.084 1.00 0.00 H ATOM 996 N GLU A 126 18.051 -31.211 0.225 1.00 13.48 N ATOM 997 CA GLU A 126 16.889 -31.080 -0.642 1.00 13.37 C ATOM 998 C GLU A 126 16.194 -29.748 -0.391 1.00 12.90 C ATOM 999 O GLU A 126 15.988 -29.356 0.762 1.00 12.97 O ATOM 1000 CB GLU A 126 15.921 -32.240 -0.384 1.00 14.09 C ATOM 1001 CG GLU A 126 16.574 -33.626 -0.399 1.00 17.04 C ATOM 1002 CD GLU A 126 17.040 -34.114 0.980 1.00 17.42 C ATOM 1003 OE1 GLU A 126 17.511 -33.295 1.791 1.00 15.82 O ATOM 1004 OE2 GLU A 126 16.935 -35.330 1.254 1.00 16.08 O ATOM 1005 H GLU A 126 18.008 -31.852 1.043 1.00 0.00 H ATOM 1006 N VAL A 127 15.807 -29.057 -1.474 1.00 13.26 N ATOM 1007 CA VAL A 127 15.284 -27.692 -1.336 1.00 15.82 C ATOM 1008 C VAL A 127 14.013 -27.663 -0.499 1.00 14.24 C ATOM 1009 O VAL A 127 13.789 -26.715 0.260 1.00 13.10 O ATOM 1010 CB VAL A 127 15.041 -27.033 -2.708 1.00 18.41 C ATOM 1011 CG1 VAL A 127 16.346 -26.686 -3.337 1.00 19.70 C ATOM 1012 CG2 VAL A 127 14.186 -27.915 -3.631 1.00 16.42 C ATOM 1013 H VAL A 127 15.878 -29.491 -2.417 1.00 0.00 H ATOM 1014 N HIS A 128 13.138 -28.668 -0.639 1.00 12.80 N ATOM 1015 CA HIS A 128 11.881 -28.563 0.091 1.00 13.29 C ATOM 1016 C HIS A 128 12.046 -28.881 1.578 1.00 13.71 C ATOM 1017 O HIS A 128 11.393 -28.243 2.409 1.00 13.95 O ATOM 1018 CB HIS A 128 10.775 -29.415 -0.562 1.00 13.90 C ATOM 1019 CG HIS A 128 11.157 -30.823 -0.919 1.00 14.27 C ATOM 1020 ND1 HIS A 128 12.317 -31.435 -0.498 1.00 14.22 N ATOM 1021 CD2 HIS A 128 10.486 -31.751 -1.648 1.00 14.88 C ATOM 1022 CE1 HIS A 128 12.348 -32.676 -0.959 1.00 15.47 C ATOM 1023 NE2 HIS A 128 11.253 -32.890 -1.666 1.00 15.07 N ATOM 1024 H HIS A 128 13.347 -29.488 -1.243 1.00 0.00 H ATOM 1025 N ILE A 129 12.933 -29.811 1.939 1.00 15.64 N ATOM 1026 CA ILE A 129 13.253 -30.032 3.349 1.00 19.98 C ATOM 1027 C ILE A 129 13.883 -28.784 3.948 1.00 15.76 C ATOM 1028 O ILE A 129 13.574 -28.390 5.080 1.00 16.17 O ATOM 1029 CB ILE A 129 14.187 -31.249 3.495 1.00 27.13 C ATOM 1030 CG1 ILE A 129 13.393 -32.552 3.449 1.00 28.97 C ATOM 1031 CG2 ILE A 129 15.012 -31.184 4.784 1.00 26.10 C ATOM 1032 CD1 ILE A 129 12.464 -32.772 4.628 1.00 32.85 C ATOM 1033 H ILE A 129 13.402 -30.385 1.209 1.00 0.00 H ATOM 1034 N TYR A 130 14.800 -28.158 3.213 1.00 13.23 N ATOM 1035 CA TYR A 130 15.435 -26.952 3.725 1.00 12.81 C ATOM 1036 C TYR A 130 14.405 -25.844 3.920 1.00 12.92 C ATOM 1037 O TYR A 130 14.375 -25.182 4.968 1.00 12.95 O ATOM 1038 CB TYR A 130 16.556 -26.526 2.779 1.00 14.06 C ATOM 1039 CG TYR A 130 17.403 -25.390 3.305 1.00 18.54 C ATOM 1040 CD1 TYR A 130 16.978 -24.075 3.197 1.00 19.68 C ATOM 1041 CD2 TYR A 130 18.628 -25.635 3.911 1.00 18.06 C ATOM 1042 CE1 TYR A 130 17.751 -23.027 3.683 1.00 22.52 C ATOM 1043 CE2 TYR A 130 19.410 -24.594 4.398 1.00 25.60 C ATOM 1044 CZ TYR A 130 18.965 -23.295 4.279 1.00 34.82 C ATOM 1045 OH TYR A 130 19.730 -22.257 4.756 1.00 44.95 O ATOM 1046 HH TYR A 130 20.605 -22.253 4.292 1.00 0.00 H ATOM 1047 H TYR A 130 15.062 -28.529 2.277 1.00 0.00 H ATOM 1048 N TYR A 131 13.536 -25.641 2.926 1.00 14.10 N ATOM 1049 CA TYR A 131 12.483 -24.639 3.052 1.00 14.27 C ATOM 1050 C TYR A 131 11.652 -24.871 4.309 1.00 17.53 C ATOM 1051 O TYR A 131 11.387 -23.941 5.079 1.00 16.93 O ATOM 1052 CB TYR A 131 11.581 -24.649 1.816 1.00 15.18 C ATOM 1053 CG TYR A 131 10.558 -23.544 1.849 1.00 17.51 C ATOM 1054 CD1 TYR A 131 9.423 -23.635 2.656 1.00 20.00 C ATOM 1055 CD2 TYR A 131 10.735 -22.398 1.096 1.00 18.18 C ATOM 1056 CE1 TYR A 131 8.500 -22.608 2.706 1.00 22.07 C ATOM 1057 CE2 TYR A 131 9.821 -21.372 1.137 1.00 22.57 C ATOM 1058 CZ TYR A 131 8.705 -21.478 1.939 1.00 26.08 C ATOM 1059 OH TYR A 131 7.803 -20.441 1.965 1.00 34.43 O ATOM 1060 HH TYR A 131 8.257 -19.618 2.277 1.00 0.00 H ATOM 1061 H TYR A 131 13.611 -26.203 2.054 1.00 0.00 H ATOM 1062 N LEU A 132 11.230 -26.116 4.529 1.00 15.94 N ATOM 1063 CA LEU A 132 10.344 -26.416 5.647 1.00 19.62 C ATOM 1064 C LEU A 132 11.007 -26.094 6.978 1.00 18.96 C ATOM 1065 O LEU A 132 10.372 -25.533 7.878 1.00 19.25 O ATOM 1066 CB LEU A 132 9.927 -27.886 5.580 1.00 26.88 C ATOM 1067 CG LEU A 132 8.863 -28.390 6.547 1.00 36.59 C ATOM 1068 CD1 LEU A 132 7.531 -27.724 6.271 1.00 42.74 C ATOM 1069 CD2 LEU A 132 8.749 -29.897 6.413 1.00 35.07 C ATOM 1070 H LEU A 132 11.536 -26.882 3.896 1.00 0.00 H ATOM 1071 N GLU A 133 12.293 -26.428 7.119 1.00 17.60 N ATOM 1072 CA GLU A 133 13.014 -26.110 8.345 1.00 21.91 C ATOM 1073 C GLU A 133 13.169 -24.606 8.519 1.00 25.21 C ATOM 1074 O GLU A 133 12.886 -24.063 9.594 1.00 31.78 O ATOM 1075 CB GLU A 133 14.380 -26.790 8.335 1.00 22.67 C ATOM 1076 CG GLU A 133 14.291 -28.304 8.350 1.00 26.66 C ATOM 1077 CD GLU A 133 15.652 -28.970 8.436 1.00 33.59 C ATOM 1078 OE1 GLU A 133 15.695 -30.213 8.552 1.00 37.75 O ATOM 1079 OE2 GLU A 133 16.672 -28.252 8.394 1.00 32.09 O ATOM 1080 H GLU A 133 12.785 -26.920 6.346 1.00 0.00 H ATOM 1081 N LYS A 134 13.625 -23.913 7.475 1.00 17.81 N ATOM 1082 CA LYS A 134 13.779 -22.467 7.569 1.00 23.44 C ATOM 1083 C LYS A 134 12.454 -21.812 7.937 1.00 22.35 C ATOM 1084 O LYS A 134 12.391 -20.969 8.840 1.00 24.46 O ATOM 1085 CB LYS A 134 14.324 -21.916 6.250 1.00 30.76 C ATOM 1086 CG LYS A 134 15.036 -20.574 6.369 1.00 39.54 C ATOM 1087 CD LYS A 134 16.443 -20.707 6.960 1.00 44.61 C ATOM 1088 CE LYS A 134 17.511 -20.166 5.992 1.00 49.20 C ATOM 1089 NZ LYS A 134 18.838 -19.983 6.640 1.00 47.95 N ATOM 1090 HZ1 LYS A 134 18.749 -19.307 7.425 1.00 0.00 H ATOM 1091 HZ2 LYS A 134 19.173 -20.897 7.005 1.00 0.00 H ATOM 1092 HZ3 LYS A 134 19.516 -19.617 5.941 1.00 0.00 H ATOM 1093 H LYS A 134 13.871 -24.405 6.592 1.00 0.00 H ATOM 1094 N ALA A 135 11.372 -22.210 7.268 1.00 25.42 N ATOM 1095 CA ALA A 135 10.064 -21.649 7.582 1.00 30.80 C ATOM 1096 C ALA A 135 9.699 -21.911 9.039 1.00 35.20 C ATOM 1097 O ALA A 135 9.236 -21.009 9.747 1.00 34.67 O ATOM 1098 CB ALA A 135 9.004 -22.229 6.643 1.00 29.81 C ATOM 1099 H ALA A 135 11.462 -22.925 6.518 1.00 0.00 H ATOM 1100 N ASN A 136 9.921 -23.142 9.507 1.00 33.68 N ATOM 1101 CA ASN A 136 9.674 -23.466 10.910 1.00 39.55 C ATOM 1102 C ASN A 136 10.462 -22.544 11.831 1.00 40.15 C ATOM 1103 O ASN A 136 9.915 -21.990 12.791 1.00 41.55 O ATOM 1104 CB ASN A 136 10.043 -24.925 11.187 1.00 46.20 C ATOM 1105 CG ASN A 136 9.026 -25.907 10.636 1.00 53.13 C ATOM 1106 OD1 ASN A 136 8.051 -25.520 9.990 1.00 53.92 O ATOM 1107 ND2 ASN A 136 9.256 -27.192 10.888 1.00 56.14 N ATOM 1108 HD22 ASN A 136 10.093 -27.472 11.438 1.00 0.00 H ATOM 1109 HD21 ASN A 136 8.599 -27.917 10.535 1.00 0.00 H ATOM 1110 H ASN A 136 10.274 -23.879 8.864 1.00 0.00 H ATOM 1111 N LYS A 137 11.758 -22.380 11.559 1.00 37.98 N ATOM 1112 CA LYS A 137 12.592 -21.515 12.386 1.00 40.56 C ATOM 1113 C LYS A 137 12.179 -20.052 12.263 1.00 48.46 C ATOM 1114 O LYS A 137 12.387 -19.273 13.199 1.00 49.08 O ATOM 1115 CB LYS A 137 14.063 -21.691 12.008 1.00 35.42 C ATOM 1116 H LYS A 137 12.179 -22.875 10.747 1.00 0.00 H ATOM 1117 N ILE A 138 11.601 -19.662 11.129 1.00 48.30 N ATOM 1118 CA ILE A 138 11.033 -18.327 10.961 1.00 51.19 C ATOM 1119 C ILE A 138 9.541 -18.390 11.274 1.00 51.92 C ATOM 1120 O ILE A 138 8.897 -17.365 11.499 1.00 52.64 O ATOM 1121 CB ILE A 138 11.285 -17.778 9.534 1.00 52.89 C ATOM 1122 CG1 ILE A 138 12.778 -17.515 9.327 1.00 51.27 C ATOM 1123 CG2 ILE A 138 10.474 -16.499 9.282 1.00 53.92 C ATOM 1124 CD1 ILE A 138 13.139 -16.998 7.937 1.00 47.76 C ATOM 1125 H ILE A 138 11.552 -20.332 10.335 1.00 0.00 H TER 1126 ILE A 138 ATOM 1127 N GLU A 141 7.340 -14.479 9.915 1.00 66.02 N ATOM 1128 CA GLU A 141 6.152 -14.891 9.173 1.00 68.35 C ATOM 1129 C GLU A 141 5.922 -13.994 7.957 1.00 69.17 C ATOM 1130 O GLU A 141 5.255 -14.393 7.001 1.00 70.98 O ATOM 1131 CB GLU A 141 4.921 -14.870 10.082 1.00 69.19 C ATOM 1132 HN3 GLU A 141 7.220 -13.499 10.242 1.00 0.00 H ATOM 1133 HN2 GLU A 141 8.173 -14.539 9.295 1.00 0.00 H ATOM 1134 HN1 GLU A 141 7.470 -15.106 10.734 1.00 0.00 H ATOM 1135 N LYS A 142 6.473 -12.778 8.001 1.00 61.17 N ATOM 1136 CA LYS A 142 6.411 -11.852 6.877 1.00 48.90 C ATOM 1137 C LYS A 142 7.647 -11.913 5.988 1.00 40.11 C ATOM 1138 O LYS A 142 7.627 -11.360 4.883 1.00 36.47 O ATOM 1139 CB LYS A 142 6.229 -10.415 7.384 1.00 49.93 C ATOM 1140 H LYS A 142 6.964 -12.481 8.868 1.00 0.00 H ATOM 1141 N THR A 143 8.713 -12.567 6.438 1.00 33.25 N ATOM 1142 CA THR A 143 9.924 -12.679 5.636 1.00 24.51 C ATOM 1143 C THR A 143 9.703 -13.658 4.487 1.00 19.57 C ATOM 1144 O THR A 143 9.229 -14.777 4.694 1.00 20.66 O ATOM 1145 CB THR A 143 11.081 -13.135 6.521 1.00 28.37 C ATOM 1146 OG1 THR A 143 11.309 -12.148 7.533 1.00 28.56 O ATOM 1147 CG2 THR A 143 12.362 -13.332 5.720 1.00 25.39 C ATOM 1148 HG1 THR A 143 12.059 -12.437 8.111 1.00 0.00 H ATOM 1149 H THR A 143 8.682 -13.007 7.380 1.00 0.00 H ATOM 1150 N HIS A 144 10.042 -13.228 3.277 1.00 13.98 N ATOM 1151 CA HIS A 144 9.968 -14.079 2.100 1.00 14.62 C ATOM 1152 C HIS A 144 11.179 -15.003 2.043 1.00 14.51 C ATOM 1153 O HIS A 144 12.313 -14.575 2.271 1.00 14.11 O ATOM 1154 CB HIS A 144 9.913 -13.215 0.842 1.00 18.56 C ATOM 1155 CG HIS A 144 9.175 -13.845 -0.296 1.00 24.00 C ATOM 1156 ND1 HIS A 144 7.800 -13.941 -0.328 1.00 27.03 N ATOM 1157 CD2 HIS A 144 9.619 -14.396 -1.451 1.00 23.74 C ATOM 1158 CE1 HIS A 144 7.428 -14.523 -1.455 1.00 29.60 C ATOM 1159 NE2 HIS A 144 8.514 -14.817 -2.151 1.00 25.69 N ATOM 1160 H HIS A 144 10.372 -12.248 3.167 1.00 0.00 H ATOM 1161 N ILE A 145 10.947 -16.272 1.719 1.00 12.54 N ATOM 1162 CA ILE A 145 12.011 -17.272 1.685 1.00 12.07 C ATOM 1163 C ILE A 145 12.248 -17.689 0.240 1.00 11.76 C ATOM 1164 O ILE A 145 11.293 -17.993 -0.490 1.00 12.07 O ATOM 1165 CB ILE A 145 11.673 -18.488 2.564 1.00 14.53 C ATOM 1166 CG1 ILE A 145 11.545 -18.066 4.024 1.00 15.53 C ATOM 1167 CG2 ILE A 145 12.757 -19.551 2.443 1.00 12.10 C ATOM 1168 CD1 ILE A 145 11.030 -19.185 4.948 1.00 17.16 C ATOM 1169 H ILE A 145 9.977 -16.562 1.482 1.00 0.00 H ATOM 1170 N HIS A 146 13.519 -17.726 -0.167 1.00 10.72 N ATOM 1171 CA HIS A 146 13.900 -18.185 -1.500 1.00 10.53 C ATOM 1172 C HIS A 146 15.112 -19.096 -1.374 1.00 10.27 C ATOM 1173 O HIS A 146 16.184 -18.655 -0.944 1.00 10.03 O ATOM 1174 CB HIS A 146 14.198 -17.011 -2.433 1.00 10.43 C ATOM 1175 CG HIS A 146 14.166 -17.372 -3.886 1.00 10.53 C ATOM 1176 ND1 HIS A 146 13.741 -16.496 -4.856 1.00 10.78 N ATOM 1177 CD2 HIS A 146 14.515 -18.509 -4.531 1.00 10.52 C ATOM 1178 CE1 HIS A 146 13.822 -17.077 -6.040 1.00 11.20 C ATOM 1179 NE2 HIS A 146 14.285 -18.301 -5.868 1.00 10.78 N ATOM 1180 H HIS A 146 14.265 -17.417 0.489 1.00 0.00 H ATOM 1181 N ILE A 147 14.932 -20.361 -1.749 1.00 11.12 N ATOM 1182 CA ILE A 147 15.942 -21.404 -1.600 1.00 11.05 C ATOM 1183 C ILE A 147 16.476 -21.784 -2.975 1.00 11.14 C ATOM 1184 O ILE A 147 15.702 -21.980 -3.922 1.00 11.47 O ATOM 1185 CB ILE A 147 15.362 -22.655 -0.905 1.00 12.24 C ATOM 1186 CG1 ILE A 147 14.592 -22.289 0.372 1.00 16.18 C ATOM 1187 CG2 ILE A 147 16.467 -23.675 -0.605 1.00 11.46 C ATOM 1188 CD1 ILE A 147 15.397 -21.511 1.386 1.00 17.68 C ATOM 1189 H ILE A 147 14.018 -20.621 -2.173 1.00 0.00 H ATOM 1190 N PHE A 148 17.796 -21.951 -3.062 1.00 10.21 N ATOM 1191 CA PHE A 148 18.479 -22.448 -4.248 1.00 10.34 C ATOM 1192 C PHE A 148 19.300 -23.669 -3.863 1.00 10.52 C ATOM 1193 O PHE A 148 19.840 -23.739 -2.753 1.00 10.47 O ATOM 1194 CB PHE A 148 19.439 -21.388 -4.856 1.00 10.23 C ATOM 1195 CG PHE A 148 18.764 -20.135 -5.323 1.00 10.17 C ATOM 1196 CD1 PHE A 148 18.267 -20.048 -6.619 1.00 10.46 C ATOM 1197 CD2 PHE A 148 18.645 -19.036 -4.487 1.00 9.95 C ATOM 1198 CE1 PHE A 148 17.661 -18.884 -7.069 1.00 10.55 C ATOM 1199 CE2 PHE A 148 18.038 -17.868 -4.933 1.00 10.02 C ATOM 1200 CZ PHE A 148 17.547 -17.796 -6.226 1.00 10.32 C ATOM 1201 H PHE A 148 18.374 -21.711 -2.231 1.00 0.00 H ATOM 1202 N SER A 149 19.414 -24.621 -4.788 1.00 10.54 N ATOM 1203 CA SER A 149 20.277 -25.782 -4.619 1.00 10.86 C ATOM 1204 C SER A 149 21.399 -25.754 -5.646 1.00 11.09 C ATOM 1205 O SER A 149 21.442 -24.905 -6.537 1.00 11.74 O ATOM 1206 CB SER A 149 19.491 -27.094 -4.759 1.00 12.39 C ATOM 1207 OG SER A 149 19.226 -27.377 -6.125 1.00 14.58 O ATOM 1208 HG SER A 149 18.720 -28.225 -6.193 1.00 0.00 H ATOM 1209 H SER A 149 18.864 -24.531 -5.666 1.00 0.00 H ATOM 1210 N PHE A 150 22.313 -26.708 -5.517 1.00 13.78 N ATOM 1211 CA PHE A 150 23.392 -26.876 -6.476 1.00 14.74 C ATOM 1212 C PHE A 150 23.017 -27.802 -7.620 1.00 19.22 C ATOM 1213 O PHE A 150 23.895 -28.212 -8.385 1.00 19.08 O ATOM 1214 CB PHE A 150 24.643 -27.409 -5.781 1.00 18.69 C ATOM 1215 CG PHE A 150 25.240 -26.460 -4.790 1.00 18.45 C ATOM 1216 CD1 PHE A 150 24.649 -26.274 -3.548 1.00 17.27 C ATOM 1217 CD2 PHE A 150 26.408 -25.769 -5.085 1.00 20.27 C ATOM 1218 CE1 PHE A 150 25.201 -25.413 -2.629 1.00 15.00 C ATOM 1219 CE2 PHE A 150 26.965 -24.905 -4.169 1.00 18.05 C ATOM 1220 CZ PHE A 150 26.365 -24.728 -2.932 1.00 17.86 C ATOM 1221 H PHE A 150 22.255 -27.355 -4.705 1.00 0.00 H ATOM 1222 N THR A 151 21.738 -28.138 -7.747 1.00 17.80 N ATOM 1223 CA THR A 151 21.233 -29.054 -8.759 1.00 22.66 C ATOM 1224 C THR A 151 20.151 -28.386 -9.596 1.00 23.13 C ATOM 1225 O THR A 151 19.217 -29.048 -10.042 1.00 27.84 O ATOM 1226 CB THR A 151 20.660 -30.306 -8.101 1.00 23.70 C ATOM 1227 OG1 THR A 151 19.554 -29.909 -7.283 1.00 16.70 O ATOM 1228 CG2 THR A 151 21.701 -31.001 -7.228 1.00 28.28 C ATOM 1229 HG1 THR A 151 18.867 -29.474 -7.848 1.00 0.00 H ATOM 1230 H THR A 151 21.056 -27.721 -7.082 1.00 0.00 H ATOM 1231 N GLY A 152 20.213 -27.066 -9.738 1.00 20.14 N ATOM 1232 CA GLY A 152 19.270 -26.365 -10.585 1.00 19.98 C ATOM 1233 C GLY A 152 17.852 -26.299 -10.072 1.00 20.96 C ATOM 1234 O GLY A 152 16.935 -26.067 -10.860 1.00 19.41 O ATOM 1235 H GLY A 152 20.948 -26.530 -9.234 1.00 0.00 H ATOM 1236 N GLU A 153 17.634 -26.497 -8.778 1.00 12.01 N ATOM 1237 CA GLU A 153 16.305 -26.406 -8.202 1.00 12.65 C ATOM 1238 C GLU A 153 16.197 -25.155 -7.344 1.00 11.65 C ATOM 1239 O GLU A 153 17.196 -24.590 -6.882 1.00 11.08 O ATOM 1240 CB GLU A 153 15.985 -27.650 -7.373 1.00 15.98 C ATOM 1241 CG GLU A 153 16.142 -28.940 -8.158 1.00 18.53 C ATOM 1242 CD GLU A 153 16.129 -30.142 -7.253 1.00 22.53 C ATOM 1243 OE1 GLU A 153 15.102 -30.333 -6.566 1.00 17.24 O ATOM 1244 OE2 GLU A 153 17.151 -30.869 -7.214 1.00 17.13 O ATOM 1245 H GLU A 153 18.438 -26.724 -8.159 1.00 0.00 H ATOM 1246 N GLU A 154 14.962 -24.706 -7.170 1.00 12.81 N ATOM 1247 CA GLU A 154 14.697 -23.532 -6.366 1.00 15.22 C ATOM 1248 C GLU A 154 13.302 -23.669 -5.802 1.00 14.23 C ATOM 1249 O GLU A 154 12.458 -24.408 -6.325 1.00 13.18 O ATOM 1250 CB GLU A 154 14.845 -22.215 -7.159 1.00 17.43 C ATOM 1251 CG GLU A 154 13.814 -21.994 -8.238 1.00 21.65 C ATOM 1252 CD GLU A 154 13.982 -20.660 -8.954 1.00 20.25 C ATOM 1253 OE1 GLU A 154 13.740 -20.629 -10.178 1.00 20.05 O ATOM 1254 OE2 GLU A 154 14.351 -19.647 -8.308 1.00 16.85 O ATOM 1255 H GLU A 154 14.169 -25.207 -7.619 1.00 0.00 H ATOM 1256 N MET A 155 13.084 -22.962 -4.705 1.00 14.21 N ATOM 1257 CA MET A 155 11.798 -22.955 -4.042 1.00 20.64 C ATOM 1258 C MET A 155 11.611 -21.602 -3.381 1.00 15.11 C ATOM 1259 O MET A 155 12.555 -21.061 -2.797 1.00 14.90 O ATOM 1260 CB MET A 155 11.739 -24.080 -3.019 1.00 27.81 C ATOM 1261 CG MET A 155 10.410 -24.219 -2.416 1.00 36.67 C ATOM 1262 SD MET A 155 10.142 -25.873 -1.781 1.00 37.00 S ATOM 1263 CE MET A 155 8.600 -25.478 -0.994 1.00 39.70 C ATOM 1264 H MET A 155 13.860 -22.395 -4.308 1.00 0.00 H ATOM 1265 N ALA A 156 10.408 -21.045 -3.476 1.00 12.84 N ATOM 1266 CA ALA A 156 10.179 -19.719 -2.927 1.00 13.80 C ATOM 1267 C ALA A 156 8.776 -19.636 -2.351 1.00 17.18 C ATOM 1268 O ALA A 156 7.858 -20.332 -2.795 1.00 14.80 O ATOM 1269 CB ALA A 156 10.399 -18.629 -3.981 1.00 14.14 C ATOM 1270 H ALA A 156 9.632 -21.557 -3.942 1.00 0.00 H ATOM 1271 N THR A 157 8.636 -18.786 -1.334 1.00 17.28 N ATOM 1272 CA THR A 157 7.365 -18.593 -0.654 1.00 19.25 C ATOM 1273 C THR A 157 6.259 -18.270 -1.653 1.00 19.53 C ATOM 1274 O THR A 157 6.384 -17.346 -2.467 1.00 16.63 O ATOM 1275 CB THR A 157 7.492 -17.461 0.371 1.00 20.01 C ATOM 1276 OG1 THR A 157 8.523 -17.772 1.313 1.00 17.10 O ATOM 1277 CG2 THR A 157 6.172 -17.240 1.109 1.00 21.58 C ATOM 1278 HG1 THR A 157 8.297 -18.614 1.782 1.00 0.00 H ATOM 1279 H THR A 157 9.464 -18.242 -1.016 1.00 0.00 H ATOM 1280 N LYS A 158 5.170 -19.038 -1.581 1.00 23.58 N ATOM 1281 CA LYS A 158 3.992 -18.834 -2.422 1.00 27.32 C ATOM 1282 C LYS A 158 4.307 -18.948 -3.909 1.00 25.69 C ATOM 1283 O LYS A 158 3.562 -18.431 -4.747 1.00 25.72 O ATOM 1284 CB LYS A 158 3.347 -17.474 -2.134 1.00 32.03 C ATOM 1285 CG LYS A 158 2.783 -17.337 -0.730 1.00 40.04 C ATOM 1286 CD LYS A 158 1.407 -17.960 -0.619 1.00 45.43 C ATOM 1287 CE LYS A 158 0.826 -17.767 0.773 1.00 52.25 C ATOM 1288 NZ LYS A 158 -0.402 -18.584 0.982 1.00 55.89 N ATOM 1289 HZ1 LYS A 158 -1.124 -18.307 0.286 1.00 0.00 H ATOM 1290 HZ2 LYS A 158 -0.172 -19.591 0.862 1.00 0.00 H ATOM 1291 HZ3 LYS A 158 -0.765 -18.422 1.943 1.00 0.00 H ATOM 1292 H LYS A 158 5.159 -19.819 -0.894 1.00 0.00 H ATOM 1293 N ALA A 159 5.403 -19.613 -4.270 1.00 20.53 N ATOM 1294 CA ALA A 159 5.819 -19.701 -5.670 1.00 22.71 C ATOM 1295 C ALA A 159 6.014 -18.317 -6.276 1.00 24.17 C ATOM 1296 O ALA A 159 5.862 -18.128 -7.486 1.00 28.49 O ATOM 1297 CB ALA A 159 4.812 -20.504 -6.501 1.00 23.15 C ATOM 1298 H ALA A 159 5.977 -20.081 -3.540 1.00 0.00 H ATOM 1299 N ASP A 160 6.329 -17.339 -5.429 1.00 23.91 N ATOM 1300 CA ASP A 160 6.661 -15.981 -5.855 1.00 20.84 C ATOM 1301 C ASP A 160 8.181 -15.886 -5.846 1.00 17.14 C ATOM 1302 O ASP A 160 8.801 -15.800 -4.783 1.00 13.77 O ATOM 1303 CB ASP A 160 6.020 -14.956 -4.926 1.00 22.79 C ATOM 1304 CG ASP A 160 6.362 -13.530 -5.294 1.00 26.78 C ATOM 1305 OD1 ASP A 160 7.146 -13.316 -6.249 1.00 26.97 O ATOM 1306 OD2 ASP A 160 5.843 -12.619 -4.617 1.00 28.82 O ATOM 1307 H ASP A 160 6.339 -17.553 -4.411 1.00 0.00 H ATOM 1308 N TYR A 161 8.780 -15.919 -7.031 1.00 13.54 N ATOM 1309 CA TYR A 161 10.224 -16.034 -7.165 1.00 15.50 C ATOM 1310 C TYR A 161 10.928 -14.689 -7.256 1.00 15.79 C ATOM 1311 O TYR A 161 12.153 -14.665 -7.419 1.00 13.62 O ATOM 1312 CB TYR A 161 10.554 -16.888 -8.390 1.00 19.53 C ATOM 1313 CG TYR A 161 10.068 -18.303 -8.225 1.00 20.95 C ATOM 1314 CD1 TYR A 161 10.810 -19.226 -7.502 1.00 20.84 C ATOM 1315 CD2 TYR A 161 8.852 -18.711 -8.764 1.00 29.75 C ATOM 1316 CE1 TYR A 161 10.367 -20.524 -7.327 1.00 27.90 C ATOM 1317 CE2 TYR A 161 8.398 -20.011 -8.595 1.00 34.42 C ATOM 1318 CZ TYR A 161 9.164 -20.912 -7.873 1.00 33.35 C ATOM 1319 OH TYR A 161 8.734 -22.210 -7.697 1.00 45.99 O ATOM 1320 HH TYR A 161 9.401 -22.708 -7.161 1.00 0.00 H ATOM 1321 H TYR A 161 8.198 -15.861 -7.891 1.00 0.00 H ATOM 1322 N THR A 162 10.185 -13.584 -7.152 1.00 19.67 N ATOM 1323 CA THR A 162 10.733 -12.230 -7.064 1.00 18.65 C ATOM 1324 C THR A 162 11.427 -11.789 -8.351 1.00 19.83 C ATOM 1325 O THR A 162 11.062 -10.762 -8.936 1.00 24.93 O ATOM 1326 CB THR A 162 11.712 -12.112 -5.889 1.00 19.20 C ATOM 1327 OG1 THR A 162 11.037 -12.406 -4.659 1.00 17.02 O ATOM 1328 CG2 THR A 162 12.279 -10.693 -5.804 1.00 19.28 C ATOM 1329 HG1 THR A 162 10.677 -13.328 -4.693 1.00 0.00 H ATOM 1330 H THR A 162 9.151 -13.693 -7.132 1.00 0.00 H ATOM 1331 N LEU A 163 12.443 -12.532 -8.779 1.00 18.00 N ATOM 1332 CA LEU A 163 13.250 -12.167 -9.931 1.00 16.09 C ATOM 1333 C LEU A 163 12.707 -12.824 -11.192 1.00 18.23 C ATOM 1334 O LEU A 163 11.967 -13.813 -11.138 1.00 15.79 O ATOM 1335 CB LEU A 163 14.704 -12.595 -9.722 1.00 14.76 C ATOM 1336 CG LEU A 163 15.403 -12.179 -8.422 1.00 16.58 C ATOM 1337 CD1 LEU A 163 16.791 -12.793 -8.357 1.00 17.93 C ATOM 1338 CD2 LEU A 163 15.493 -10.677 -8.321 1.00 19.95 C ATOM 1339 H LEU A 163 12.669 -13.410 -8.269 1.00 0.00 H ATOM 1340 N ASP A 164 13.111 -12.280 -12.340 1.00 23.03 N ATOM 1341 CA ASP A 164 12.803 -12.916 -13.611 1.00 25.11 C ATOM 1342 C ASP A 164 13.632 -14.191 -13.780 1.00 20.22 C ATOM 1343 O ASP A 164 14.614 -14.431 -13.070 1.00 16.42 O ATOM 1344 CB ASP A 164 13.042 -11.945 -14.776 1.00 33.45 C ATOM 1345 CG ASP A 164 14.499 -11.524 -14.915 1.00 44.56 C ATOM 1346 OD1 ASP A 164 15.359 -12.031 -14.169 1.00 43.95 O ATOM 1347 OD2 ASP A 164 14.783 -10.671 -15.783 1.00 45.31 O ATOM 1348 H ASP A 164 13.652 -11.392 -12.327 1.00 0.00 H ATOM 1349 N GLU A 165 13.224 -15.030 -14.740 1.00 17.81 N ATOM 1350 CA GLU A 165 13.850 -16.345 -14.856 1.00 19.45 C ATOM 1351 C GLU A 165 15.317 -16.249 -15.263 1.00 17.31 C ATOM 1352 O GLU A 165 16.127 -17.071 -14.819 1.00 18.13 O ATOM 1353 CB GLU A 165 13.077 -17.235 -15.834 1.00 28.77 C ATOM 1354 CG GLU A 165 12.563 -16.573 -17.080 1.00 35.32 C ATOM 1355 CD GLU A 165 11.760 -17.553 -17.924 1.00 45.11 C ATOM 1356 OE1 GLU A 165 10.513 -17.541 -17.830 1.00 42.71 O ATOM 1357 OE2 GLU A 165 12.380 -18.359 -18.650 1.00 44.11 O ATOM 1358 H GLU A 165 12.469 -14.748 -15.397 1.00 0.00 H ATOM 1359 N GLU A 166 15.689 -15.257 -16.080 1.00 19.50 N ATOM 1360 CA GLU A 166 17.087 -15.128 -16.493 1.00 24.59 C ATOM 1361 C GLU A 166 18.000 -14.815 -15.303 1.00 20.28 C ATOM 1362 O GLU A 166 19.125 -15.325 -15.222 1.00 19.29 O ATOM 1363 CB GLU A 166 17.217 -14.045 -17.565 1.00 27.88 C ATOM 1364 H GLU A 166 14.982 -14.575 -16.423 1.00 0.00 H ATOM 1365 N SER A 167 17.549 -13.962 -14.384 1.00 20.56 N ATOM 1366 CA SER A 167 18.359 -13.659 -13.205 1.00 19.22 C ATOM 1367 C SER A 167 18.521 -14.891 -12.327 1.00 17.60 C ATOM 1368 O SER A 167 19.602 -15.141 -11.776 1.00 17.46 O ATOM 1369 CB SER A 167 17.719 -12.521 -12.414 1.00 19.95 C ATOM 1370 OG SER A 167 17.709 -11.321 -13.167 1.00 20.24 O ATOM 1371 HG SER A 167 17.192 -11.460 -14.000 1.00 0.00 H ATOM 1372 H SER A 167 16.620 -13.511 -14.505 1.00 0.00 H ATOM 1373 N ARG A 168 17.447 -15.659 -12.169 1.00 14.24 N ATOM 1374 CA ARG A 168 17.515 -16.893 -11.406 1.00 17.39 C ATOM 1375 C ARG A 168 18.315 -17.964 -12.133 1.00 15.88 C ATOM 1376 O ARG A 168 19.013 -18.752 -11.483 1.00 13.68 O ATOM 1377 CB ARG A 168 16.095 -17.369 -11.098 1.00 18.25 C ATOM 1378 CG ARG A 168 15.410 -16.552 -10.004 1.00 18.21 C ATOM 1379 CD ARG A 168 13.930 -16.408 -10.269 1.00 20.30 C ATOM 1380 NE ARG A 168 13.316 -17.705 -10.538 1.00 20.24 N ATOM 1381 CZ ARG A 168 12.247 -17.890 -11.304 1.00 21.27 C ATOM 1382 NH1 ARG A 168 11.781 -19.112 -11.472 1.00 20.87 N ATOM 1383 NH2 ARG A 168 11.646 -16.868 -11.897 1.00 18.79 N ATOM 1384 HE ARG A 168 13.746 -18.544 -10.099 1.00 0.00 H ATOM 1385 HH12 ARG A 168 10.945 -19.272 -12.069 1.00 0.00 H ATOM 1386 HH11 ARG A 168 12.250 -19.916 -11.007 1.00 0.00 H ATOM 1387 HH22 ARG A 168 10.810 -17.031 -12.493 1.00 0.00 H ATOM 1388 HH21 ARG A 168 12.011 -15.903 -11.766 1.00 0.00 H ATOM 1389 H ARG A 168 16.544 -15.372 -12.598 1.00 0.00 H ATOM 1390 N ALA A 169 18.247 -18.007 -13.473 1.00 15.30 N ATOM 1391 CA ALA A 169 19.043 -18.981 -14.215 1.00 15.40 C ATOM 1392 C ALA A 169 20.529 -18.755 -13.983 1.00 15.34 C ATOM 1393 O ALA A 169 21.301 -19.714 -13.857 1.00 17.04 O ATOM 1394 CB ALA A 169 18.718 -18.911 -15.712 1.00 19.85 C ATOM 1395 H ALA A 169 17.627 -17.346 -13.983 1.00 0.00 H ATOM 1396 N ARG A 170 20.944 -17.488 -13.904 1.00 14.32 N ATOM 1397 CA ARG A 170 22.346 -17.189 -13.647 1.00 15.60 C ATOM 1398 C ARG A 170 22.778 -17.745 -12.299 1.00 13.59 C ATOM 1399 O ARG A 170 23.898 -18.246 -12.157 1.00 14.67 O ATOM 1400 CB ARG A 170 22.589 -15.680 -13.700 1.00 19.45 C ATOM 1401 CG ARG A 170 24.015 -15.282 -13.306 1.00 23.12 C ATOM 1402 CD ARG A 170 24.160 -13.799 -13.103 1.00 28.68 C ATOM 1403 NE ARG A 170 25.507 -13.458 -12.652 1.00 30.80 N ATOM 1404 CZ ARG A 170 25.837 -12.292 -12.107 1.00 30.13 C ATOM 1405 NH1 ARG A 170 24.911 -11.355 -11.932 1.00 30.23 N ATOM 1406 NH2 ARG A 170 27.089 -12.064 -11.729 1.00 29.48 N ATOM 1407 HE ARG A 170 26.254 -14.172 -12.765 1.00 0.00 H ATOM 1408 HH12 ARG A 170 25.169 -10.442 -11.505 1.00 0.00 H ATOM 1409 HH11 ARG A 170 23.928 -11.534 -12.222 1.00 0.00 H ATOM 1410 HH22 ARG A 170 27.345 -11.151 -11.303 1.00 0.00 H ATOM 1411 HH21 ARG A 170 27.813 -12.799 -11.859 1.00 0.00 H ATOM 1412 H ARG A 170 20.263 -16.712 -14.027 1.00 0.00 H ATOM 1413 N ILE A 171 21.909 -17.645 -11.291 1.00 12.64 N ATOM 1414 CA ILE A 171 22.234 -18.167 -9.964 1.00 13.07 C ATOM 1415 C ILE A 171 22.314 -19.685 -9.997 1.00 12.12 C ATOM 1416 O ILE A 171 23.286 -20.284 -9.523 1.00 12.13 O ATOM 1417 CB ILE A 171 21.194 -17.689 -8.941 1.00 11.48 C ATOM 1418 CG1 ILE A 171 21.357 -16.179 -8.739 1.00 11.44 C ATOM 1419 CG2 ILE A 171 21.339 -18.450 -7.622 1.00 11.03 C ATOM 1420 CD1 ILE A 171 20.184 -15.530 -8.046 1.00 11.15 C ATOM 1421 H ILE A 171 20.988 -17.190 -11.451 1.00 0.00 H ATOM 1422 N LYS A 172 21.278 -20.331 -10.537 1.00 12.01 N ATOM 1423 CA LYS A 172 21.273 -21.787 -10.589 1.00 14.10 C ATOM 1424 C LYS A 172 22.472 -22.304 -11.361 1.00 12.82 C ATOM 1425 O LYS A 172 23.096 -23.299 -10.967 1.00 12.87 O ATOM 1426 CB LYS A 172 19.988 -22.291 -11.237 1.00 16.65 C ATOM 1427 CG LYS A 172 18.710 -21.954 -10.509 1.00 24.03 C ATOM 1428 CD LYS A 172 17.531 -22.302 -11.420 1.00 28.82 C ATOM 1429 CE LYS A 172 16.255 -21.675 -10.947 1.00 27.72 C ATOM 1430 NZ LYS A 172 15.298 -21.526 -12.072 1.00 29.57 N ATOM 1431 HZ1 LYS A 172 15.719 -20.922 -12.806 1.00 0.00 H ATOM 1432 HZ2 LYS A 172 15.086 -22.462 -12.472 1.00 0.00 H ATOM 1433 HZ3 LYS A 172 14.421 -21.090 -11.724 1.00 0.00 H ATOM 1434 H LYS A 172 20.474 -19.795 -10.921 1.00 0.00 H ATOM 1435 N THR A 173 22.798 -21.649 -12.476 1.00 16.16 N ATOM 1436 CA THR A 173 23.919 -22.082 -13.301 1.00 21.68 C ATOM 1437 C THR A 173 25.240 -21.933 -12.558 1.00 19.55 C ATOM 1438 O THR A 173 26.105 -22.817 -12.625 1.00 18.44 O ATOM 1439 CB THR A 173 23.924 -21.281 -14.609 1.00 27.72 C ATOM 1440 OG1 THR A 173 22.818 -21.701 -15.418 1.00 29.26 O ATOM 1441 CG2 THR A 173 25.228 -21.465 -15.390 1.00 29.41 C ATOM 1442 HG1 THR A 173 21.973 -21.538 -14.929 1.00 0.00 H ATOM 1443 H THR A 173 22.244 -20.816 -12.761 1.00 0.00 H ATOM 1444 N ARG A 174 25.416 -20.820 -11.846 1.00 17.50 N ATOM 1445 CA ARG A 174 26.627 -20.632 -11.059 1.00 16.25 C ATOM 1446 C ARG A 174 26.787 -21.740 -10.020 1.00 13.63 C ATOM 1447 O ARG A 174 27.870 -22.319 -9.876 1.00 14.08 O ATOM 1448 CB ARG A 174 26.592 -19.260 -10.391 1.00 15.10 C ATOM 1449 CG ARG A 174 27.718 -19.008 -9.407 1.00 15.60 C ATOM 1450 CD ARG A 174 29.091 -19.142 -10.047 1.00 18.06 C ATOM 1451 NE ARG A 174 30.129 -18.640 -9.148 1.00 18.92 N ATOM 1452 CZ ARG A 174 31.430 -18.891 -9.262 1.00 22.92 C ATOM 1453 NH1 ARG A 174 31.887 -19.663 -10.241 1.00 21.57 N ATOM 1454 NH2 ARG A 174 32.278 -18.375 -8.379 1.00 22.01 N ATOM 1455 HE ARG A 174 29.826 -18.038 -8.356 1.00 0.00 H ATOM 1456 HH12 ARG A 174 32.906 -19.853 -10.321 1.00 0.00 H ATOM 1457 HH11 ARG A 174 31.226 -20.078 -10.928 1.00 0.00 H ATOM 1458 HH22 ARG A 174 33.297 -18.567 -8.462 1.00 0.00 H ATOM 1459 HH21 ARG A 174 31.923 -17.779 -7.604 1.00 0.00 H ATOM 1460 H ARG A 174 24.684 -20.081 -11.852 1.00 0.00 H ATOM 1461 N LEU A 175 25.715 -22.044 -9.281 1.00 12.77 N ATOM 1462 CA LEU A 175 25.792 -23.065 -8.237 1.00 12.36 C ATOM 1463 C LEU A 175 26.034 -24.451 -8.828 1.00 16.53 C ATOM 1464 O LEU A 175 26.818 -25.238 -8.282 1.00 14.12 O ATOM 1465 CB LEU A 175 24.506 -23.053 -7.406 1.00 11.72 C ATOM 1466 CG LEU A 175 24.248 -21.757 -6.626 1.00 11.20 C ATOM 1467 CD1 LEU A 175 22.844 -21.736 -6.058 1.00 10.78 C ATOM 1468 CD2 LEU A 175 25.263 -21.571 -5.508 1.00 11.15 C ATOM 1469 H LEU A 175 24.816 -21.549 -9.451 1.00 0.00 H ATOM 1470 N PHE A 176 25.355 -24.774 -9.929 1.00 15.02 N ATOM 1471 CA PHE A 176 25.620 -26.026 -10.634 1.00 16.63 C ATOM 1472 C PHE A 176 27.086 -26.109 -11.049 1.00 18.03 C ATOM 1473 O PHE A 176 27.734 -27.148 -10.873 1.00 19.86 O ATOM 1474 CB PHE A 176 24.699 -26.124 -11.851 1.00 20.64 C ATOM 1475 CG PHE A 176 24.745 -27.456 -12.560 1.00 23.10 C ATOM 1476 CD1 PHE A 176 25.665 -27.694 -13.573 1.00 32.54 C ATOM 1477 CD2 PHE A 176 23.845 -28.453 -12.233 1.00 19.90 C ATOM 1478 CE1 PHE A 176 25.694 -28.917 -14.234 1.00 28.41 C ATOM 1479 CE2 PHE A 176 23.861 -29.682 -12.894 1.00 23.69 C ATOM 1480 CZ PHE A 176 24.790 -29.911 -13.893 1.00 25.62 C ATOM 1481 H PHE A 176 24.627 -24.126 -10.291 1.00 0.00 H ATOM 1482 N THR A 177 27.621 -25.013 -11.589 1.00 21.86 N ATOM 1483 CA THR A 177 29.027 -24.954 -11.978 1.00 28.37 C ATOM 1484 C THR A 177 29.939 -25.190 -10.782 1.00 22.92 C ATOM 1485 O THR A 177 30.942 -25.908 -10.886 1.00 25.72 O ATOM 1486 CB THR A 177 29.322 -23.588 -12.610 1.00 37.54 C ATOM 1487 OG1 THR A 177 28.653 -23.491 -13.871 1.00 36.60 O ATOM 1488 CG2 THR A 177 30.827 -23.360 -12.811 1.00 41.86 C ATOM 1489 HG1 THR A 177 27.677 -23.588 -13.734 1.00 0.00 H ATOM 1490 H THR A 177 27.020 -24.177 -11.737 1.00 0.00 H ATOM 1491 N ILE A 178 29.620 -24.573 -9.643 1.00 19.14 N ATOM 1492 CA ILE A 178 30.431 -24.757 -8.444 1.00 17.50 C ATOM 1493 C ILE A 178 30.441 -26.223 -8.037 1.00 16.74 C ATOM 1494 O ILE A 178 31.489 -26.773 -7.683 1.00 17.40 O ATOM 1495 CB ILE A 178 29.919 -23.849 -7.309 1.00 17.15 C ATOM 1496 CG1 ILE A 178 30.207 -22.385 -7.651 1.00 15.61 C ATOM 1497 CG2 ILE A 178 30.569 -24.221 -5.965 1.00 16.53 C ATOM 1498 CD1 ILE A 178 29.521 -21.380 -6.764 1.00 16.77 C ATOM 1499 H ILE A 178 28.785 -23.954 -9.609 1.00 0.00 H ATOM 1500 N ARG A 179 29.281 -26.884 -8.087 1.00 17.33 N ATOM 1501 CA ARG A 179 29.233 -28.286 -7.691 1.00 19.11 C ATOM 1502 C ARG A 179 30.113 -29.139 -8.590 1.00 20.47 C ATOM 1503 O ARG A 179 30.840 -30.017 -8.109 1.00 19.16 O ATOM 1504 CB ARG A 179 27.802 -28.812 -7.731 1.00 21.27 C ATOM 1505 CG ARG A 179 27.742 -30.314 -7.507 1.00 26.96 C ATOM 1506 CD ARG A 179 26.336 -30.794 -7.246 1.00 27.78 C ATOM 1507 NE ARG A 179 25.523 -30.678 -8.444 1.00 38.17 N ATOM 1508 CZ ARG A 179 25.515 -31.566 -9.430 1.00 47.79 C ATOM 1509 NH1 ARG A 179 26.273 -32.654 -9.364 1.00 44.02 N ATOM 1510 NH2 ARG A 179 24.744 -31.363 -10.487 1.00 65.23 N ATOM 1511 HE ARG A 179 24.907 -29.845 -8.535 1.00 0.00 H ATOM 1512 HH12 ARG A 179 26.260 -33.345 -10.142 1.00 0.00 H ATOM 1513 HH11 ARG A 179 26.879 -32.816 -8.535 1.00 0.00 H ATOM 1514 HH22 ARG A 179 24.733 -32.055 -11.263 1.00 0.00 H ATOM 1515 HH21 ARG A 179 24.149 -30.512 -10.541 1.00 0.00 H ATOM 1516 H ARG A 179 28.417 -26.401 -8.407 1.00 0.00 H ATOM 1517 N GLN A 180 30.044 -28.906 -9.903 1.00 21.48 N ATOM 1518 CA GLN A 180 30.858 -29.668 -10.845 1.00 23.18 C ATOM 1519 C GLN A 180 32.345 -29.431 -10.617 1.00 25.11 C ATOM 1520 O GLN A 180 33.144 -30.376 -10.647 1.00 26.15 O ATOM 1521 CB GLN A 180 30.473 -29.294 -12.271 1.00 28.40 C ATOM 1522 CG GLN A 180 29.066 -29.695 -12.640 1.00 36.86 C ATOM 1523 CD GLN A 180 28.906 -29.885 -14.122 1.00 50.64 C ATOM 1524 OE1 GLN A 180 28.190 -30.781 -14.566 1.00 66.04 O ATOM 1525 NE2 GLN A 180 29.580 -29.046 -14.905 1.00 46.10 N ATOM 1526 HE22 GLN A 180 30.173 -28.303 -14.483 1.00 0.00 H ATOM 1527 HE21 GLN A 180 29.513 -29.133 -15.939 1.00 0.00 H ATOM 1528 H GLN A 180 29.401 -28.171 -10.260 1.00 0.00 H ATOM 1529 N GLU A 181 32.734 -28.174 -10.394 1.00 23.93 N ATOM 1530 CA GLU A 181 34.137 -27.861 -10.141 1.00 31.16 C ATOM 1531 C GLU A 181 34.627 -28.536 -8.864 1.00 36.62 C ATOM 1532 O GLU A 181 35.727 -29.105 -8.835 1.00 34.64 O ATOM 1533 CB GLU A 181 34.314 -26.342 -10.069 1.00 32.87 C ATOM 1534 CG GLU A 181 35.754 -25.848 -10.029 1.00 36.20 C ATOM 1535 CD GLU A 181 36.577 -26.307 -11.218 1.00 40.30 C ATOM 1536 OE1 GLU A 181 37.676 -26.859 -10.996 1.00 42.53 O ATOM 1537 OE2 GLU A 181 36.120 -26.120 -12.368 1.00 42.80 O ATOM 1538 H GLU A 181 32.030 -27.409 -10.401 1.00 0.00 H ATOM 1539 N MET A 182 33.818 -28.494 -7.798 1.00 30.73 N ATOM 1540 CA MET A 182 34.165 -29.198 -6.565 1.00 27.74 C ATOM 1541 C MET A 182 34.261 -30.700 -6.796 1.00 27.11 C ATOM 1542 O MET A 182 35.196 -31.358 -6.323 1.00 26.56 O ATOM 1543 CB MET A 182 33.126 -28.906 -5.485 1.00 24.08 C ATOM 1544 CG MET A 182 33.185 -27.506 -4.911 1.00 24.22 C ATOM 1545 SD MET A 182 31.922 -27.320 -3.631 1.00 23.43 S ATOM 1546 CE MET A 182 32.380 -25.748 -2.933 1.00 24.52 C ATOM 1547 H MET A 182 32.931 -27.953 -7.848 1.00 0.00 H ATOM 1548 N ALA A 183 33.289 -31.266 -7.510 1.00 21.87 N ATOM 1549 CA ALA A 183 33.309 -32.703 -7.773 1.00 27.84 C ATOM 1550 C ALA A 183 34.573 -33.118 -8.521 1.00 32.90 C ATOM 1551 O ALA A 183 35.165 -34.162 -8.221 1.00 27.29 O ATOM 1552 CB ALA A 183 32.061 -33.108 -8.559 1.00 27.90 C ATOM 1553 H ALA A 183 32.513 -30.682 -7.882 1.00 0.00 H ATOM 1554 N SER A 184 35.002 -32.322 -9.503 1.00 38.22 N ATOM 1555 CA SER A 184 36.192 -32.676 -10.269 1.00 46.80 C ATOM 1556 C SER A 184 37.453 -32.643 -9.415 1.00 44.94 C ATOM 1557 O SER A 184 38.425 -33.335 -9.739 1.00 49.91 O ATOM 1558 CB SER A 184 36.355 -31.740 -11.469 1.00 55.18 C ATOM 1559 OG SER A 184 36.893 -30.491 -11.073 1.00 57.33 O ATOM 1560 HG SER A 184 36.286 -30.064 -10.418 1.00 0.00 H ATOM 1561 H SER A 184 34.486 -31.446 -9.723 1.00 0.00 H ATOM 1562 N ARG A 185 37.462 -31.855 -8.340 1.00 39.74 N ATOM 1563 CA ARG A 185 38.556 -31.845 -7.379 1.00 36.25 C ATOM 1564 C ARG A 185 38.295 -32.760 -6.187 1.00 32.21 C ATOM 1565 O ARG A 185 39.029 -32.691 -5.195 1.00 30.72 O ATOM 1566 CB ARG A 185 38.811 -30.424 -6.878 1.00 32.83 C ATOM 1567 CG ARG A 185 39.101 -29.391 -7.952 1.00 36.11 C ATOM 1568 CD ARG A 185 39.158 -28.007 -7.310 1.00 38.27 C ATOM 1569 NE ARG A 185 39.280 -26.921 -8.283 1.00 42.81 N ATOM 1570 CZ ARG A 185 40.181 -25.941 -8.229 1.00 47.87 C ATOM 1571 NH1 ARG A 185 41.071 -25.873 -7.245 1.00 48.39 N ATOM 1572 NH2 ARG A 185 40.185 -25.005 -9.169 1.00 56.27 N ATOM 1573 HE ARG A 185 38.611 -26.913 -9.079 1.00 0.00 H ATOM 1574 HH12 ARG A 185 41.765 -25.099 -7.224 1.00 0.00 H ATOM 1575 HH11 ARG A 185 41.074 -26.594 -6.496 1.00 0.00 H ATOM 1576 HH22 ARG A 185 40.885 -24.236 -9.135 1.00 0.00 H ATOM 1577 HH21 ARG A 185 39.488 -25.040 -9.940 1.00 0.00 H ATOM 1578 H ARG A 185 36.654 -31.220 -8.181 1.00 0.00 H ATOM 1579 N SER A 186 37.263 -33.604 -6.255 1.00 33.22 N ATOM 1580 CA SER A 186 36.950 -34.560 -5.193 1.00 38.26 C ATOM 1581 C SER A 186 36.636 -33.865 -3.869 1.00 36.36 C ATOM 1582 O SER A 186 36.967 -34.371 -2.794 1.00 33.56 O ATOM 1583 CB SER A 186 38.092 -35.559 -5.011 1.00 45.41 C ATOM 1584 OG SER A 186 38.472 -36.101 -6.260 1.00 52.53 O ATOM 1585 HG SER A 186 39.212 -36.746 -6.127 1.00 0.00 H ATOM 1586 H SER A 186 36.656 -33.581 -7.099 1.00 0.00 H ATOM 1587 N LEU A 187 35.991 -32.703 -3.934 1.00 37.82 N ATOM 1588 CA LEU A 187 35.601 -31.963 -2.743 1.00 29.29 C ATOM 1589 C LEU A 187 34.099 -31.952 -2.507 1.00 25.92 C ATOM 1590 O LEU A 187 33.662 -31.538 -1.427 1.00 23.90 O ATOM 1591 CB LEU A 187 36.080 -30.509 -2.839 1.00 30.99 C ATOM 1592 CG LEU A 187 37.539 -30.271 -3.226 1.00 31.77 C ATOM 1593 CD1 LEU A 187 37.718 -28.839 -3.706 1.00 34.32 C ATOM 1594 CD2 LEU A 187 38.450 -30.565 -2.052 1.00 31.34 C ATOM 1595 H LEU A 187 35.757 -32.310 -4.868 1.00 0.00 H ATOM 1596 N TRP A 188 33.301 -32.374 -3.486 1.00 23.72 N ATOM 1597 CA TRP A 188 31.857 -32.189 -3.396 1.00 20.61 C ATOM 1598 C TRP A 188 31.246 -33.058 -2.307 1.00 23.24 C ATOM 1599 O TRP A 188 30.393 -32.599 -1.539 1.00 21.34 O ATOM 1600 CB TRP A 188 31.198 -32.507 -4.733 1.00 20.02 C ATOM 1601 CG TRP A 188 29.724 -32.608 -4.591 1.00 20.45 C ATOM 1602 CD1 TRP A 188 28.958 -33.736 -4.687 1.00 23.88 C ATOM 1603 CD2 TRP A 188 28.828 -31.534 -4.293 1.00 19.65 C ATOM 1604 NE1 TRP A 188 27.633 -33.424 -4.480 1.00 23.97 N ATOM 1605 CE2 TRP A 188 27.528 -32.077 -4.232 1.00 20.61 C ATOM 1606 CE3 TRP A 188 29.000 -30.161 -4.075 1.00 21.55 C ATOM 1607 CZ2 TRP A 188 26.404 -31.296 -3.968 1.00 21.09 C ATOM 1608 CZ3 TRP A 188 27.884 -29.386 -3.813 1.00 20.39 C ATOM 1609 CH2 TRP A 188 26.599 -29.958 -3.760 1.00 18.66 C ATOM 1610 HE1 TRP A 188 26.841 -34.098 -4.507 1.00 0.00 H ATOM 1611 H TRP A 188 33.711 -32.839 -4.321 1.00 0.00 H ATOM 1612 N ASP A 189 31.638 -34.331 -2.247 1.00 27.29 N ATOM 1613 CA ASP A 189 31.002 -35.237 -1.299 1.00 33.77 C ATOM 1614 C ASP A 189 31.193 -34.757 0.135 1.00 29.74 C ATOM 1615 O ASP A 189 30.250 -34.786 0.934 1.00 31.27 O ATOM 1616 CB ASP A 189 31.544 -36.653 -1.489 1.00 47.21 C ATOM 1617 CG ASP A 189 31.241 -37.203 -2.872 1.00 55.57 C ATOM 1618 OD1 ASP A 189 32.196 -37.535 -3.606 1.00 64.12 O ATOM 1619 OD2 ASP A 189 30.046 -37.273 -3.237 1.00 56.55 O ATOM 1620 H ASP A 189 32.393 -34.676 -2.873 1.00 0.00 H ATOM 1621 N SER A 190 32.397 -34.283 0.473 1.00 26.46 N ATOM 1622 CA SER A 190 32.633 -33.748 1.812 1.00 27.49 C ATOM 1623 C SER A 190 31.829 -32.474 2.049 1.00 22.48 C ATOM 1624 O SER A 190 31.242 -32.288 3.122 1.00 21.52 O ATOM 1625 CB SER A 190 34.125 -33.481 2.010 1.00 29.79 C ATOM 1626 OG SER A 190 34.351 -32.760 3.209 1.00 29.30 O ATOM 1627 HG SER A 190 33.874 -31.894 3.167 1.00 0.00 H ATOM 1628 H SER A 190 33.171 -34.295 -0.222 1.00 0.00 H ATOM 1629 N PHE A 191 31.796 -31.586 1.057 1.00 18.96 N ATOM 1630 CA PHE A 191 31.003 -30.369 1.161 1.00 19.73 C ATOM 1631 C PHE A 191 29.525 -30.694 1.350 1.00 17.25 C ATOM 1632 O PHE A 191 28.845 -30.075 2.177 1.00 15.72 O ATOM 1633 CB PHE A 191 31.227 -29.540 -0.098 1.00 16.36 C ATOM 1634 CG PHE A 191 30.586 -28.188 -0.077 1.00 17.08 C ATOM 1635 CD1 PHE A 191 30.937 -27.252 0.878 1.00 19.00 C ATOM 1636 CD2 PHE A 191 29.673 -27.835 -1.058 1.00 16.56 C ATOM 1637 CE1 PHE A 191 30.360 -25.993 0.877 1.00 16.85 C ATOM 1638 CE2 PHE A 191 29.094 -26.587 -1.069 1.00 18.86 C ATOM 1639 CZ PHE A 191 29.438 -25.661 -0.104 1.00 17.05 C ATOM 1640 H PHE A 191 32.346 -31.765 0.193 1.00 0.00 H ATOM 1641 N ARG A 192 29.017 -31.669 0.592 1.00 19.37 N ATOM 1642 CA ARG A 192 27.624 -32.096 0.721 1.00 19.78 C ATOM 1643 C ARG A 192 27.335 -32.641 2.117 1.00 20.08 C ATOM 1644 O ARG A 192 26.368 -32.234 2.771 1.00 19.14 O ATOM 1645 CB ARG A 192 27.309 -33.155 -0.341 1.00 21.26 C ATOM 1646 CG ARG A 192 25.813 -33.463 -0.504 1.00 23.20 C ATOM 1647 CD ARG A 192 25.551 -34.658 -1.433 1.00 24.49 C ATOM 1648 NE ARG A 192 26.010 -35.910 -0.840 1.00 22.45 N ATOM 1649 CZ ARG A 192 25.343 -36.589 0.095 1.00 23.29 C ATOM 1650 NH1 ARG A 192 24.177 -36.144 0.553 1.00 22.55 N ATOM 1651 NH2 ARG A 192 25.845 -37.713 0.582 1.00 25.15 N ATOM 1652 HE ARG A 192 26.917 -36.299 -1.168 1.00 0.00 H ATOM 1653 HH12 ARG A 192 23.665 -36.681 1.282 1.00 0.00 H ATOM 1654 HH11 ARG A 192 23.776 -35.259 0.182 1.00 0.00 H ATOM 1655 HH22 ARG A 192 25.325 -38.242 1.311 1.00 0.00 H ATOM 1656 HH21 ARG A 192 26.760 -38.067 0.236 1.00 0.00 H ATOM 1657 H ARG A 192 29.628 -32.137 -0.108 1.00 0.00 H ATOM 1658 N GLN A 193 28.165 -33.573 2.589 1.00 19.44 N ATOM 1659 CA GLN A 193 27.918 -34.209 3.881 1.00 21.03 C ATOM 1660 C GLN A 193 28.049 -33.226 5.039 1.00 21.28 C ATOM 1661 O GLN A 193 27.415 -33.419 6.083 1.00 21.45 O ATOM 1662 CB GLN A 193 28.880 -35.383 4.080 1.00 25.84 C ATOM 1663 CG GLN A 193 28.604 -36.591 3.188 1.00 29.19 C ATOM 1664 CD GLN A 193 27.456 -37.455 3.687 1.00 35.04 C ATOM 1665 OE1 GLN A 193 26.488 -36.958 4.272 1.00 34.14 O ATOM 1666 NE2 GLN A 193 27.562 -38.762 3.460 1.00 40.70 N ATOM 1667 HE22 GLN A 193 28.395 -39.138 2.963 1.00 0.00 H ATOM 1668 HE21 GLN A 193 26.812 -39.408 3.779 1.00 0.00 H ATOM 1669 H GLN A 193 28.998 -33.850 2.031 1.00 0.00 H ATOM 1670 N SER A 194 28.850 -32.170 4.888 1.00 22.21 N ATOM 1671 CA SER A 194 29.082 -31.279 6.021 1.00 25.01 C ATOM 1672 C SER A 194 27.825 -30.495 6.397 1.00 21.56 C ATOM 1673 O SER A 194 27.611 -30.211 7.580 1.00 18.41 O ATOM 1674 CB SER A 194 30.247 -30.330 5.727 1.00 36.96 C ATOM 1675 OG SER A 194 29.889 -29.333 4.793 1.00 43.93 O ATOM 1676 HG SER A 194 29.615 -29.761 3.944 1.00 0.00 H ATOM 1677 H SER A 194 29.305 -31.983 3.972 1.00 0.00 H ATOM 1678 N GLU A 195 26.971 -30.144 5.431 1.00 19.10 N ATOM 1679 CA GLU A 195 25.725 -29.479 5.804 1.00 19.03 C ATOM 1680 C GLU A 195 24.848 -30.412 6.632 1.00 19.64 C ATOM 1681 O GLU A 195 24.209 -29.985 7.601 1.00 19.23 O ATOM 1682 CB GLU A 195 24.966 -28.994 4.564 1.00 21.64 C ATOM 1683 CG GLU A 195 23.778 -28.086 4.920 1.00 23.32 C ATOM 1684 CD GLU A 195 23.000 -27.582 3.712 1.00 25.77 C ATOM 1685 OE1 GLU A 195 23.536 -27.641 2.582 1.00 20.23 O ATOM 1686 OE2 GLU A 195 21.843 -27.130 3.902 1.00 18.84 O ATOM 1687 H GLU A 195 27.189 -30.340 4.433 1.00 0.00 H ATOM 1688 N ARG A 196 24.822 -31.695 6.278 1.00 19.63 N ATOM 1689 CA ARG A 196 24.004 -32.652 7.021 1.00 21.29 C ATOM 1690 C ARG A 196 24.574 -32.914 8.412 1.00 23.11 C ATOM 1691 O ARG A 196 23.821 -33.139 9.371 1.00 22.33 O ATOM 1692 CB ARG A 196 23.896 -33.953 6.233 1.00 19.99 C ATOM 1693 CG ARG A 196 23.032 -33.831 4.963 1.00 19.00 C ATOM 1694 CD ARG A 196 23.292 -34.971 3.984 1.00 19.73 C ATOM 1695 NE ARG A 196 22.374 -34.972 2.834 1.00 18.70 N ATOM 1696 CZ ARG A 196 21.254 -35.695 2.753 1.00 20.65 C ATOM 1697 NH1 ARG A 196 20.875 -36.473 3.757 1.00 21.23 N ATOM 1698 NH2 ARG A 196 20.496 -35.633 1.665 1.00 19.61 N ATOM 1699 HE ARG A 196 22.615 -34.365 2.025 1.00 0.00 H ATOM 1700 HH12 ARG A 196 20.001 -37.031 3.681 1.00 0.00 H ATOM 1701 HH11 ARG A 196 21.452 -36.526 4.621 1.00 0.00 H ATOM 1702 HH22 ARG A 196 19.625 -36.197 1.606 1.00 0.00 H ATOM 1703 HH21 ARG A 196 20.774 -35.020 0.872 1.00 0.00 H ATOM 1704 H ARG A 196 25.387 -32.019 5.467 1.00 0.00 H ATOM 1705 N ALA A 197 25.901 -32.909 8.542 1.00 25.18 N ATOM 1706 CA ALA A 197 26.501 -33.076 9.860 1.00 27.30 C ATOM 1707 C ALA A 197 26.190 -31.880 10.751 1.00 28.97 C ATOM 1708 O ALA A 197 25.921 -32.043 11.948 1.00 29.68 O ATOM 1709 CB ALA A 197 28.009 -33.280 9.723 1.00 30.83 C ATOM 1710 H ALA A 197 26.506 -32.786 7.705 1.00 0.00 H ATOM 1711 N ALA A 198 26.217 -30.672 10.185 1.00 30.14 N ATOM 1712 CA ALA A 198 25.803 -29.491 10.935 1.00 30.16 C ATOM 1713 C ALA A 198 24.361 -29.623 11.409 1.00 33.32 C ATOM 1714 O ALA A 198 24.039 -29.276 12.553 1.00 32.17 O ATOM 1715 CB ALA A 198 25.971 -28.238 10.077 1.00 30.51 C ATOM 1716 H ALA A 198 26.536 -30.571 9.200 1.00 0.00 H ATOM 1717 N ALA A 199 23.480 -30.129 10.543 1.00 35.25 N ATOM 1718 CA ALA A 199 22.078 -30.295 10.916 1.00 35.65 C ATOM 1719 C ALA A 199 21.907 -31.388 11.966 1.00 33.72 C ATOM 1720 O ALA A 199 21.073 -31.262 12.870 1.00 33.36 O ATOM 1721 CB ALA A 199 21.243 -30.612 9.676 1.00 35.87 C ATOM 1722 H ALA A 199 23.796 -30.408 9.592 1.00 0.00 H ATOM 1723 N GLU A 200 22.671 -32.477 11.855 1.00 32.42 N ATOM 1724 CA GLU A 200 22.583 -33.540 12.850 1.00 37.44 C ATOM 1725 C GLU A 200 23.022 -33.040 14.223 1.00 42.05 C ATOM 1726 O GLU A 200 22.418 -33.394 15.242 1.00 42.20 O ATOM 1727 CB GLU A 200 23.425 -34.739 12.403 1.00 35.63 C ATOM 1728 CG GLU A 200 23.325 -35.975 13.294 1.00 39.18 C ATOM 1729 CD GLU A 200 21.966 -36.662 13.244 1.00 43.18 C ATOM 1730 OE1 GLU A 200 21.516 -37.167 14.295 1.00 45.83 O ATOM 1731 OE2 GLU A 200 21.349 -36.711 12.160 1.00 43.17 O ATOM 1732 H GLU A 200 23.331 -32.568 11.057 1.00 0.00 H ATOM 1733 N LEU A 201 24.058 -32.205 14.270 1.00 51.52 N ATOM 1734 CA LEU A 201 24.526 -31.618 15.525 1.00 49.70 C ATOM 1735 C LEU A 201 23.890 -30.250 15.758 1.00 48.40 C ATOM 1736 O LEU A 201 22.714 -30.151 16.112 1.00 47.92 O ATOM 1737 CB LEU A 201 26.051 -31.489 15.520 1.00 47.16 C ATOM 1738 H LEU A 201 24.550 -31.963 13.386 1.00 0.00 H TER 1739 LEU A 201 HETATM 1740 MN MN A 1 20.591 -16.753 4.059 1.00 10.19 MN HETATM 1741 MN MN A 2 22.010 -14.158 6.255 1.00 13.22 MN HETATM 1742 O HOH 3 14.537 -9.615 -12.246 1.00 25.45 O HETATM 1743 O HOH 4 27.847 -36.734 -2.441 1.00 33.46 O HETATM 1744 O HOH 5 19.692 -23.508 -7.540 1.00 42.89 O HETATM 1745 O HOH 6 22.427 1.019 3.931 1.00 18.77 O HETATM 1746 O HOH 7 7.646 -29.089 10.675 1.00 43.61 O HETATM 1747 O HOH 8 32.740 -14.043 -7.056 1.00 26.92 O HETATM 1748 O HOH 9 40.020 -15.034 -4.762 1.00 25.02 O HETATM 1749 O HOH 10 6.606 -25.041 7.910 1.00 41.00 O HETATM 1750 O HOH 11 21.724 -25.055 -9.100 1.00 23.90 O HETATM 1751 O HOH 12 22.133 -22.426 5.723 1.00 30.57 O HETATM 1752 O HOH 13 19.963 -14.235 7.008 1.00 11.38 O HETATM 1753 O HOH 14 13.581 -31.397 9.550 1.00 34.47 O HETATM 1754 O HOH 15 11.319 -14.937 -3.986 1.00 18.50 O HETATM 1755 O HOH 16 23.268 -5.134 -7.598 1.00 34.24 O HETATM 1756 O HOH 17 37.914 -23.417 13.751 1.00 51.06 O HETATM 1757 O HOH 18 23.114 -31.542 -3.185 1.00 26.94 O HETATM 1758 O HOH 19 24.819 -8.858 7.906 1.00 13.71 O HETATM 1759 O HOH 20 25.453 -27.620 14.159 1.00 48.54 O HETATM 1760 O HOH 21 15.228 -19.709 -14.083 1.00 30.11 O HETATM 1761 O HOH 22 20.997 -27.315 6.480 1.00 21.48 O HETATM 1762 O HOH 23 31.208 -19.939 -12.861 1.00 47.74 O HETATM 1763 O HOH 24 25.382 -24.114 1.072 1.00 17.80 O HETATM 1764 O HOH 25 10.782 -10.260 -2.611 1.00 16.66 O HETATM 1765 O HOH 26 20.613 2.033 0.398 1.00 15.22 O HETATM 1766 O HOH 27 21.044 -4.943 -12.014 1.00 52.88 O HETATM 1767 O HOH 28 27.518 -18.571 -5.400 1.00 41.28 O HETATM 1768 O HOH 29 19.502 -30.381 -3.660 1.00 18.86 O HETATM 1769 O HOH 30 22.100 -11.941 6.982 1.00 10.80 O HETATM 1770 O HOH 31 9.262 -8.978 5.620 1.00 23.51 O HETATM 1771 O HOH 32 22.038 -20.726 3.127 1.00 14.47 O HETATM 1772 O HOH 33 24.292 -38.048 2.855 1.00 22.97 O HETATM 1773 O HOH 34 20.969 -12.798 -11.189 1.00 19.44 O HETATM 1774 O HOH 35 26.000 -21.635 1.047 1.00 17.95 O HETATM 1775 O HOH 36 6.099 -13.111 1.719 1.00 32.14 O HETATM 1776 O HOH 37 22.925 -27.565 8.184 1.00 30.63 O HETATM 1777 O HOH 38 33.222 -30.069 7.398 1.00 34.59 O HETATM 1778 O HOH 39 28.133 -13.389 4.919 1.00 33.06 O HETATM 1779 O HOH 40 30.930 -5.421 5.074 1.00 40.03 O HETATM 1780 O HOH 41 14.219 -13.684 -17.909 1.00 39.01 O HETATM 1781 O HOH 42 19.490 -13.202 13.481 1.00 32.36 O HETATM 1782 O HOH 43 34.972 -34.881 -0.802 1.00 31.48 O HETATM 1783 O HOH 44 7.457 -15.492 -9.544 1.00 27.73 O HETATM 1784 O HOH 45 35.297 -30.387 0.765 1.00 23.97 O HETATM 1785 O HOH 46 22.057 -29.020 -3.778 1.00 21.16 O HETATM 1786 O HOH 47 16.683 -30.070 -4.031 1.00 20.82 O HETATM 1787 O HOH 48 20.581 -3.919 -8.635 1.00 30.24 O HETATM 1788 O HOH 49 8.557 -9.016 -8.051 1.00 26.08 O HETATM 1789 O HOH 50 23.459 -32.399 2.044 1.00 21.57 O HETATM 1790 O HOH 51 19.105 -3.125 -5.691 1.00 22.03 O HETATM 1791 O HOH 52 27.717 -15.347 -12.554 1.00 36.19 O HETATM 1792 O HOH 53 27.253 -15.549 3.389 1.00 17.14 O HETATM 1793 O HOH 54 21.494 -13.878 10.394 1.00 25.71 O HETATM 1794 O HOH 55 37.374 -7.084 -5.426 1.00 38.17 O HETATM 1795 O HOH 56 33.742 -35.159 -4.438 1.00 27.74 O HETATM 1796 O HOH 57 29.520 -3.584 7.167 1.00 13.44 O HETATM 1797 O HOH 58 4.272 -5.323 2.624 1.00 61.02 O HETATM 1798 O HOH 59 21.378 -11.536 14.393 1.00 37.69 O HETATM 1799 O HOH 60 13.392 -3.941 -10.276 1.00 37.17 O HETATM 1800 O HOH 61 12.955 -26.697 -8.436 1.00 20.27 O HETATM 1801 O HOH 62 4.547 -21.473 0.236 1.00 46.91 O HETATM 1802 O HOH 63 24.180 -11.369 8.421 1.00 15.67 O HETATM 1803 O HOH 64 8.520 -15.272 -16.997 1.00 47.64 O HETATM 1804 O HOH 65 29.236 -7.232 14.638 1.00 32.36 O HETATM 1805 O HOH 66 17.035 -24.814 -13.776 1.00 48.59 O HETATM 1806 O HOH 67 7.485 -17.096 6.036 1.00 47.65 O HETATM 1807 O HOH 68 13.112 -6.224 -10.766 1.00 35.63 O HETATM 1808 O HOH 69 10.394 -13.953 -15.894 1.00 45.26 O HETATM 1809 O HOH 70 37.702 -11.279 14.677 1.00 34.24 O HETATM 1810 O HOH 71 39.367 -12.631 16.083 1.00 45.36 O HETATM 1811 O HOH 72 17.990 -2.595 18.330 1.00 34.27 O HETATM 1812 O HOH 73 31.213 -8.086 8.181 1.00 45.82 O HETATM 1813 O HOH 74 38.111 -34.388 -13.141 1.00 44.19 O HETATM 1814 O HOH 75 28.760 -10.749 7.527 1.00 44.39 O HETATM 1815 O HOH 76 19.275 -23.016 -14.897 1.00 52.24 O HETATM 1816 O HOH 77 45.605 -14.102 2.404 1.00 67.20 O HETATM 1817 O HOH 78 8.631 -21.919 -11.824 1.00 48.91 O HETATM 1818 O HOH 79 41.593 -14.273 -2.664 1.00 39.85 O HETATM 1819 O HOH 80 33.734 -22.528 -13.077 1.00 62.19 O HETATM 1820 O HOH 81 27.245 -36.218 11.687 1.00 37.82 O HETATM 1821 O HOH 82 22.918 -33.409 -4.622 1.00 43.03 O HETATM 1822 N GY A 5 24.234 -20.893 9.432 1.00 -0.25 N HETATM 1823 C09 GY A 5 23.019 -20.879 8.569 1.00 0.13 C HETATM 1824 C01 GY A 5 22.705 -19.519 7.863 1.00 0.16 C HETATM 1825 N01 GY A 5 23.012 -18.359 8.401 1.00 -0.30 N HETATM 1826 C02 GY A 5 22.702 -17.142 7.711 1.00 0.11 C HETATM 1827 C03 GY A 5 22.080 -17.201 6.483 1.00 0.18 C HETATM 1828 C04 GY A 5 21.722 -18.535 5.854 1.00 0.26 C HETATM 1829 N02 GY A 5 22.087 -19.662 6.650 1.00 -0.19 N HETATM 1830 H19 GY A 5 21.886 -20.581 6.312 1.00 0.25 H HETATM 1831 O02 GY A 5 21.173 -18.686 4.792 1.00 -0.40 O HETATM 1832 O01 GY A 5 21.749 -16.151 5.779 1.00 -0.33 O HETATM 1833 H21 GY A 5 22.008 -15.364 6.244 1.00 0.25 H HETATM 1834 C05 GY A 5 23.107 -15.826 8.443 1.00 0.20 C HETATM 1835 N03 GY A 5 23.742 -15.974 9.707 1.00 -0.29 N HETATM 1836 C06 GY A 5 24.232 -14.875 10.596 1.00 0.05 C HETATM 1837 C1 GY A 5 25.575 -15.253 11.362 1.00 0.07 C HETATM 1838 O11 GY A 5 25.635 -16.653 11.690 1.00 -0.38 O HETATM 1839 C18 GY A 5 26.292 -17.491 10.740 1.00 0.04 C HETATM 1840 H22 GY A 5 26.276 -18.532 11.096 1.00 0.05 H HETATM 1841 H23 GY A 5 27.334 -17.161 10.619 1.00 0.05 H HETATM 1842 H24 GY A 5 25.772 -17.426 9.773 1.00 0.05 H HETATM 1843 H9 GY A 5 25.630 -14.668 12.292 1.00 0.06 H HETATM 1844 H10 GY A 5 26.432 -15.002 10.720 1.00 0.06 H HETATM 1845 H2 GY A 5 24.418 -13.982 9.981 1.00 0.05 H HETATM 1846 H3 GY A 5 23.454 -14.652 11.341 1.00 0.05 H HETATM 1847 H20 GY A 5 23.875 -16.909 10.035 1.00 0.18 H HETATM 1848 O03 GY A 5 22.891 -14.750 7.981 1.00 -0.39 O HETATM 1849 C08 GY A 5 21.849 -21.174 9.549 1.00 -0.01 C HETATM 1850 C07 GY A 5 22.285 -20.649 10.914 1.00 -0.03 C HETATM 1851 C10 GY A 5 23.828 -20.533 10.816 1.00 0.04 C HETATM 1852 H11 GY A 5 24.139 -19.502 11.039 1.00 0.05 H HETATM 1853 H12 GY A 5 24.299 -21.221 11.533 1.00 0.05 H HETATM 1854 H4 GY A 5 21.999 -21.352 11.710 1.00 0.03 H HETATM 1855 H5 GY A 5 21.834 -19.666 11.114 1.00 0.03 H HETATM 1856 H6 GY A 5 20.936 -20.658 9.217 1.00 0.03 H HETATM 1857 H7 GY A 5 21.660 -22.256 9.601 1.00 0.03 H HETATM 1858 H8 GY A 5 23.104 -21.665 7.804 1.00 0.08 H HETATM 1859 C11 GY A 5 25.573 -21.176 8.910 1.00 0.21 C HETATM 1860 O GY A 5 26.474 -21.144 9.678 1.00 -0.39 O HETATM 1861 C12 GY A 5 25.791 -21.551 7.319 1.00 0.16 C HETATM 1862 O1 GY A 5 26.751 -20.715 6.640 1.00 -0.30 O HETATM 1863 C16 GY A 5 26.448 -19.360 6.486 1.00 0.09 C HETATM 1864 C15 GY A 5 26.887 -18.373 7.398 1.00 -0.03 C HETATM 1865 C14 GY A 5 26.577 -17.016 7.235 1.00 -0.07 C HETATM 1866 C13 GY A 5 25.815 -16.595 6.153 1.00 -0.07 C HETATM 1867 C GY A 5 25.371 -17.558 5.243 1.00 -0.07 C HETATM 1868 C17 GY A 5 25.677 -18.912 5.403 1.00 -0.03 C HETATM 1869 H18 GY A 5 25.312 -19.629 4.677 1.00 0.05 H HETATM 1870 H1 GY A 5 24.775 -17.247 4.393 1.00 0.06 H HETATM 1871 H15 GY A 5 25.571 -15.547 6.018 1.00 0.05 H HETATM 1872 H16 GY A 5 26.934 -16.291 7.957 1.00 0.06 H HETATM 1873 H17 GY A 5 27.483 -18.676 8.251 1.00 0.05 H HETATM 1874 H13 GY A 5 24.823 -21.452 6.806 1.00 0.09 H HETATM 1875 H14 GY A 5 26.135 -22.594 7.255 1.00 0.09 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 358 356 357 1740 CONECT 553 551 1741 CONECT 800 799 1740 CONECT 801 799 1741 CONECT 928 927 1740 CONECT 934 933 1740 CONECT 1127 1128 1132 1133 1134 CONECT 1132 1127 CONECT 1133 1127 CONECT 1134 1127 CONECT 1740 358 800 928 934 CONECT 1741 553 801 CONECT 1822 1823 1851 1859 CONECT 1823 1822 1824 1849 1858 CONECT 1824 1823 1825 1829 CONECT 1825 1824 1826 CONECT 1826 1825 1827 1834 CONECT 1827 1826 1828 1832 CONECT 1828 1827 1829 1831 CONECT 1829 1824 1828 1830 CONECT 1830 1829 CONECT 1831 1828 CONECT 1832 1827 1833 CONECT 1833 1832 CONECT 1834 1826 1835 1848 CONECT 1835 1834 1836 1847 CONECT 1836 1835 1837 1845 1846 CONECT 1837 1836 1838 1843 1844 CONECT 1838 1837 1839 CONECT 1839 1838 1840 1841 1842 CONECT 1840 1839 CONECT 1841 1839 CONECT 1842 1839 CONECT 1843 1837 CONECT 1844 1837 CONECT 1845 1836 CONECT 1846 1836 CONECT 1847 1835 CONECT 1848 1834 CONECT 1849 1823 1850 1856 1857 CONECT 1850 1849 1851 1854 1855 CONECT 1851 1822 1850 1852 1853 CONECT 1852 1851 CONECT 1853 1851 CONECT 1854 1850 CONECT 1855 1850 CONECT 1856 1849 CONECT 1857 1849 CONECT 1858 1823 CONECT 1859 1822 1860 1861 CONECT 1860 1859 CONECT 1861 1859 1862 1874 1875 CONECT 1862 1861 1863 CONECT 1863 1862 1864 1868 CONECT 1864 1863 1865 1873 CONECT 1865 1864 1866 1872 CONECT 1866 1865 1867 1871 CONECT 1867 1866 1868 1870 CONECT 1868 1863 1867 1869 CONECT 1869 1868 CONECT 1870 1867 CONECT 1871 1866 CONECT 1872 1865 CONECT 1873 1864 CONECT 1874 1861 CONECT 1875 1861 MASTER 0 0 0 0 0 0 0 0 1873 2 70 15 END
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Related entries of code: 5w3i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4awk
RCSB PDB
PDBbind
183aa, >4AWK_1|Chain... at 95%
4yyl
RCSB PDB
PDBbind
191aa, >4YYL_1|Chain... at 93%
5fdd
RCSB PDB
PDBbind
191aa, >5FDD_1|Chain... at 93%
5fdg
RCSB PDB
PDBbind
191aa, >5FDG_1|Chain... at 93%
5i13
RCSB PDB
PDBbind
191aa, >5I13_1|Chain... at 93%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5w3i
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Polymerase acidic protein
Ligand Name
GY5
EC.Number
E.C.-.-.-.-
Resolution
1.95(Å)
Affinity (Kd/Ki/IC50)
Ki=1.6uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Sci Rep Vol. 7: pp. 17139-17139
Ligand Properties
Formula
C
2
0
H
2
4
N
4
O
6
Molecular Weight
416.428
Exact Mass
416.170
No. of atoms
54
No. of bonds
56
Polar Surface Area
133.85
LOGP Value
0.77 (
Computed with XLOGP3
)
0.92 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 3
Canonical SMILES
COCCNC(=O)c1nc([nH]c(=O)c1O)[C@@H]1CCCN1C(=O)COc1ccccc1
InChI String
InChI=1S/C20H24N4O6/c1-29-11-9-21-19(27)16-17(26)20(28)23-18(22-16)14-8-5-10-24(14)15(25)12-30-13-6-3-2-4-7-13/h2-4,6-7,14,26H,5,8-12H2,1H3,(H,21,27)(H,22,23,28)/t14-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
C3W5S0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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