Browse entries in the PDBbind-CN Database
HEADER 4FLP_COMPLEX COMPND 4FLP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 106 THR ASN GLN LEU GLN TYR LEU GLN LYS VAL VAL LEU LYS SEQRES 2 A 106 ASP LEU TRP LYS HIS SER PHE SER TRP PRO PHE GLN ARG SEQRES 3 A 106 PRO VAL ASP ALA VAL LYS LEU GLN LEU PRO ASP TYR TYR SEQRES 4 A 106 THR ILE ILE LYS ASN PRO MET ASP LEU ASN THR ILE LYS SEQRES 5 A 106 LYS ARG LEU GLU ASN LYS TYR TYR ALA LYS ALA SER GLU SEQRES 6 A 106 CYS ILE GLU ASP PHE ASN THR MET PHE SER ASN CYS TYR SEQRES 7 A 106 LEU TYR ASN LYS PRO GLY ASP ASP ILE VAL LEU MET ALA SEQRES 8 A 106 GLN ALA LEU GLU LYS LEU PHE MET GLN LYS LEU SER GLN SEQRES 9 A 106 MET PRO HET JQ A 1 56 ATOM 1 N THR A 29 10.552 -34.662 -27.786 1.00 84.89 N ATOM 2 CA THR A 29 9.151 -34.403 -28.221 1.00 87.67 C ATOM 3 C THR A 29 8.128 -34.523 -27.079 1.00 86.30 C ATOM 4 O THR A 29 7.004 -34.048 -27.212 1.00 84.32 O ATOM 5 CB THR A 29 8.750 -35.329 -29.373 1.00 93.04 C ATOM 6 OG1 THR A 29 7.653 -34.748 -30.092 1.00 96.18 O ATOM 7 CG2 THR A 29 8.377 -36.737 -28.855 1.00106.19 C ATOM 8 HA THR A 29 9.135 -33.368 -28.562 1.00 0.00 H ATOM 9 HB THR A 29 9.602 -35.442 -30.044 1.00 0.00 H ATOM 10 HG1 THR A 29 6.884 -34.630 -29.480 1.00 0.00 H ATOM 11 HG23 THR A 29 9.223 -37.159 -28.313 1.00 0.00 H ATOM 12 HG21 THR A 29 7.518 -36.662 -28.189 1.00 0.00 H ATOM 13 HG22 THR A 29 8.128 -37.379 -29.700 1.00 0.00 H ATOM 14 HN3 THR A 29 10.622 -35.626 -27.402 1.00 0.00 H ATOM 15 HN2 THR A 29 10.818 -33.975 -27.052 1.00 0.00 H ATOM 16 HN1 THR A 29 11.190 -34.565 -28.601 1.00 0.00 H ATOM 17 N ASN A 30 8.503 -35.155 -25.968 1.00 86.70 N ATOM 18 CA ASN A 30 7.718 -35.027 -24.729 1.00 85.95 C ATOM 19 C ASN A 30 7.731 -33.556 -24.283 1.00 82.36 C ATOM 20 O ASN A 30 6.682 -32.931 -24.050 1.00 74.36 O ATOM 21 CB ASN A 30 8.304 -35.900 -23.608 1.00 85.99 C ATOM 22 HA ASN A 30 6.699 -35.360 -24.926 1.00 0.00 H ATOM 23 HB2 ASN A 30 8.295 -36.944 -23.920 1.00 0.00 H ATOM 24 HB3 ASN A 30 9.329 -35.589 -23.405 1.00 0.00 H ATOM 25 H ASN A 30 9.359 -35.745 -25.976 1.00 0.00 H ATOM 26 N GLN A 31 8.944 -33.014 -24.208 1.00 78.82 N ATOM 27 CA GLN A 31 9.192 -31.704 -23.617 1.00 76.45 C ATOM 28 C GLN A 31 8.918 -30.553 -24.585 1.00 70.42 C ATOM 29 O GLN A 31 8.259 -29.584 -24.215 1.00 65.49 O ATOM 30 CB GLN A 31 10.613 -31.652 -23.065 1.00 78.15 C ATOM 31 CG GLN A 31 10.819 -32.659 -21.926 1.00 76.84 C ATOM 32 CD GLN A 31 12.151 -32.491 -21.230 1.00 78.73 C ATOM 33 OE1 GLN A 31 12.261 -32.705 -20.014 1.00 61.63 O ATOM 34 NE2 GLN A 31 13.175 -32.102 -21.991 1.00 60.27 N ATOM 35 HA GLN A 31 8.486 -31.569 -22.797 1.00 0.00 H ATOM 36 HB2 GLN A 31 11.313 -31.880 -23.869 1.00 0.00 H ATOM 37 HB3 GLN A 31 10.809 -30.648 -22.689 1.00 0.00 H ATOM 38 HG2 GLN A 31 10.023 -32.524 -21.193 1.00 0.00 H ATOM 39 HG3 GLN A 31 10.765 -33.667 -22.338 1.00 0.00 H ATOM 40 HE22 GLN A 31 13.033 -31.935 -23.008 1.00 0.00 H ATOM 41 HE21 GLN A 31 14.115 -31.966 -21.568 1.00 0.00 H ATOM 42 H GLN A 31 9.751 -33.548 -24.588 1.00 0.00 H ATOM 43 N LEU A 32 9.386 -30.664 -25.822 1.00 65.29 N ATOM 44 CA LEU A 32 8.932 -29.755 -26.880 1.00 66.03 C ATOM 45 C LEU A 32 7.401 -29.529 -26.887 1.00 65.48 C ATOM 46 O LEU A 32 6.938 -28.396 -27.058 1.00 60.99 O ATOM 47 CB LEU A 32 9.383 -30.267 -28.248 1.00 68.67 C ATOM 48 CG LEU A 32 10.870 -30.080 -28.545 1.00 70.05 C ATOM 49 CD1 LEU A 32 11.310 -30.969 -29.698 1.00 58.73 C ATOM 50 CD2 LEU A 32 11.158 -28.617 -28.852 1.00 62.14 C ATOM 51 HA LEU A 32 9.391 -28.790 -26.667 1.00 0.00 H ATOM 52 HB2 LEU A 32 9.158 -31.332 -28.303 1.00 0.00 H ATOM 53 HB3 LEU A 32 8.815 -29.737 -29.013 1.00 0.00 H ATOM 54 HG LEU A 32 11.440 -30.373 -27.663 1.00 0.00 H ATOM 55 HD21 LEU A 32 10.576 -28.308 -29.720 1.00 0.00 H ATOM 56 HD22 LEU A 32 10.883 -28.006 -27.992 1.00 0.00 H ATOM 57 HD23 LEU A 32 12.220 -28.494 -29.062 1.00 0.00 H ATOM 58 HD11 LEU A 32 11.133 -32.013 -29.439 1.00 0.00 H ATOM 59 HD12 LEU A 32 10.739 -30.713 -30.591 1.00 0.00 H ATOM 60 HD13 LEU A 32 12.372 -30.816 -29.888 1.00 0.00 H ATOM 61 H LEU A 32 10.082 -31.404 -26.044 1.00 0.00 H ATOM 62 N GLN A 33 6.622 -30.594 -26.669 1.00 66.67 N ATOM 63 CA GLN A 33 5.148 -30.495 -26.631 1.00 60.08 C ATOM 64 C GLN A 33 4.635 -29.699 -25.412 1.00 54.71 C ATOM 65 O GLN A 33 3.624 -28.960 -25.485 1.00 47.46 O ATOM 66 CB GLN A 33 4.510 -31.892 -26.659 1.00 61.76 C ATOM 67 CG GLN A 33 3.359 -32.011 -27.657 1.00 68.88 C ATOM 68 CD GLN A 33 2.417 -33.176 -27.372 1.00 93.22 C ATOM 69 OE1 GLN A 33 2.753 -34.114 -26.638 1.00 79.84 O ATOM 70 NE2 GLN A 33 1.221 -33.115 -27.957 1.00103.34 N ATOM 71 HA GLN A 33 4.849 -29.944 -27.523 1.00 0.00 H ATOM 72 HB2 GLN A 33 5.278 -32.618 -26.928 1.00 0.00 H ATOM 73 HB3 GLN A 33 4.130 -32.119 -25.663 1.00 0.00 H ATOM 74 HG2 GLN A 33 2.782 -31.087 -27.629 1.00 0.00 H ATOM 75 HG3 GLN A 33 3.780 -32.145 -28.654 1.00 0.00 H ATOM 76 HE22 GLN A 33 0.981 -32.307 -28.567 1.00 0.00 H ATOM 77 HE21 GLN A 33 0.528 -33.875 -27.804 1.00 0.00 H ATOM 78 H GLN A 33 7.068 -31.522 -26.521 1.00 0.00 H ATOM 79 N TYR A 34 5.311 -29.874 -24.282 1.00 51.47 N ATOM 80 CA TYR A 34 5.066 -29.024 -23.118 1.00 48.92 C ATOM 81 C TYR A 34 5.279 -27.549 -23.527 1.00 45.55 C ATOM 82 O TYR A 34 4.379 -26.716 -23.420 1.00 43.75 O ATOM 83 CB TYR A 34 6.010 -29.429 -21.978 1.00 43.78 C ATOM 84 CG TYR A 34 5.803 -28.698 -20.673 1.00 50.01 C ATOM 85 CD1 TYR A 34 6.688 -27.710 -20.260 1.00 60.37 C ATOM 86 CD2 TYR A 34 4.733 -29.001 -19.851 1.00 51.92 C ATOM 87 CE1 TYR A 34 6.521 -27.044 -19.061 1.00 47.13 C ATOM 88 CE2 TYR A 34 4.544 -28.339 -18.652 1.00 60.84 C ATOM 89 CZ TYR A 34 5.438 -27.356 -18.256 1.00 67.43 C ATOM 90 OH TYR A 34 5.234 -26.702 -17.055 1.00 56.79 O ATOM 91 HA TYR A 34 4.042 -29.145 -22.764 1.00 0.00 H ATOM 92 HB3 TYR A 34 7.033 -29.246 -22.307 1.00 0.00 H ATOM 93 HB2 TYR A 34 5.875 -30.494 -21.792 1.00 0.00 H ATOM 94 HD2 TYR A 34 4.027 -29.774 -20.153 1.00 0.00 H ATOM 95 HE2 TYR A 34 3.693 -28.590 -18.019 1.00 0.00 H ATOM 96 HE1 TYR A 34 7.235 -26.280 -18.752 1.00 0.00 H ATOM 97 HD1 TYR A 34 7.535 -27.454 -20.897 1.00 0.00 H ATOM 98 HH TYR A 34 5.953 -26.035 -16.918 1.00 0.00 H ATOM 99 H TYR A 34 6.026 -30.627 -24.224 1.00 0.00 H ATOM 100 N LEU A 35 6.467 -27.252 -24.036 1.00 45.93 N ATOM 101 CA LEU A 35 6.824 -25.888 -24.383 1.00 42.80 C ATOM 102 C LEU A 35 5.819 -25.304 -25.369 1.00 44.16 C ATOM 103 O LEU A 35 5.543 -24.108 -25.316 1.00 46.65 O ATOM 104 CB LEU A 35 8.235 -25.838 -24.954 1.00 47.96 C ATOM 105 CG LEU A 35 9.327 -26.028 -23.899 1.00 43.26 C ATOM 106 CD1 LEU A 35 10.632 -26.503 -24.537 1.00 38.91 C ATOM 107 CD2 LEU A 35 9.539 -24.725 -23.130 1.00 40.65 C ATOM 108 HA LEU A 35 6.799 -25.282 -23.477 1.00 0.00 H ATOM 109 HB2 LEU A 35 8.334 -26.627 -25.700 1.00 0.00 H ATOM 110 HB3 LEU A 35 8.380 -24.869 -25.431 1.00 0.00 H ATOM 111 HG LEU A 35 9.004 -26.799 -23.200 1.00 0.00 H ATOM 112 HD21 LEU A 35 9.841 -23.940 -23.824 1.00 0.00 H ATOM 113 HD22 LEU A 35 8.609 -24.439 -22.638 1.00 0.00 H ATOM 114 HD23 LEU A 35 10.318 -24.869 -22.381 1.00 0.00 H ATOM 115 HD11 LEU A 35 10.463 -27.455 -25.040 1.00 0.00 H ATOM 116 HD12 LEU A 35 10.971 -25.763 -25.261 1.00 0.00 H ATOM 117 HD13 LEU A 35 11.389 -26.629 -23.763 1.00 0.00 H ATOM 118 H LEU A 35 7.159 -28.013 -24.190 1.00 0.00 H ATOM 119 N GLN A 36 5.238 -26.131 -26.240 1.00 42.08 N ATOM 120 CA GLN A 36 4.209 -25.632 -27.165 1.00 43.32 C ATOM 121 C GLN A 36 2.846 -25.413 -26.527 1.00 48.36 C ATOM 122 O GLN A 36 2.226 -24.353 -26.708 1.00 48.65 O ATOM 123 CB GLN A 36 4.032 -26.562 -28.342 1.00 43.20 C ATOM 124 CG GLN A 36 2.988 -26.056 -29.348 1.00 46.72 C ATOM 125 CD GLN A 36 2.823 -27.012 -30.509 1.00 50.27 C ATOM 126 OE1 GLN A 36 2.844 -28.214 -30.323 1.00 52.91 O ATOM 127 NE2 GLN A 36 2.647 -26.480 -31.703 1.00 48.48 N ATOM 128 HA GLN A 36 4.585 -24.661 -27.487 1.00 0.00 H ATOM 129 HB2 GLN A 36 4.989 -26.663 -28.854 1.00 0.00 H ATOM 130 HB3 GLN A 36 3.715 -27.537 -27.971 1.00 0.00 H ATOM 131 HG2 GLN A 36 2.030 -25.948 -28.840 1.00 0.00 H ATOM 132 HG3 GLN A 36 3.306 -25.086 -29.731 1.00 0.00 H ATOM 133 HE22 GLN A 36 2.636 -25.446 -31.815 1.00 0.00 H ATOM 134 HE21 GLN A 36 2.519 -27.094 -32.532 1.00 0.00 H ATOM 135 H GLN A 36 5.514 -27.133 -26.265 1.00 0.00 H ATOM 136 N LYS A 37 2.365 -26.433 -25.821 1.00 55.23 N ATOM 137 CA LYS A 37 0.976 -26.466 -25.364 1.00 51.90 C ATOM 138 C LYS A 37 0.832 -25.733 -24.062 1.00 48.64 C ATOM 139 O LYS A 37 -0.219 -25.151 -23.803 1.00 50.35 O ATOM 140 CB LYS A 37 0.485 -27.915 -25.183 1.00 60.73 C ATOM 141 CG LYS A 37 -0.309 -28.512 -26.360 1.00 60.17 C ATOM 142 CD LYS A 37 0.560 -29.311 -27.288 1.00 63.33 C ATOM 143 CE LYS A 37 -0.254 -29.968 -28.404 1.00 81.56 C ATOM 144 NZ LYS A 37 -0.503 -29.045 -29.550 1.00 85.74 N ATOM 145 HA LYS A 37 0.369 -25.979 -26.127 1.00 0.00 H ATOM 146 HB2 LYS A 37 1.359 -28.545 -25.016 1.00 0.00 H ATOM 147 HB3 LYS A 37 -0.155 -27.943 -24.301 1.00 0.00 H ATOM 148 HG2 LYS A 37 -1.089 -29.162 -25.963 1.00 0.00 H ATOM 149 HG3 LYS A 37 -0.767 -27.698 -26.922 1.00 0.00 H ATOM 150 HD2 LYS A 37 1.302 -28.649 -27.735 1.00 0.00 H ATOM 151 HD3 LYS A 37 1.066 -30.088 -26.716 1.00 0.00 H ATOM 152 HE2 LYS A 37 -1.214 -30.286 -27.996 1.00 0.00 H ATOM 153 HE3 LYS A 37 0.291 -30.839 -28.768 1.00 0.00 H ATOM 154 HZ1 LYS A 37 -1.030 -28.213 -29.216 1.00 0.00 H ATOM 155 HZ2 LYS A 37 0.406 -28.741 -29.953 1.00 0.00 H ATOM 156 HZ3 LYS A 37 -1.058 -29.539 -30.277 1.00 0.00 H ATOM 157 H LYS A 37 2.993 -27.228 -25.588 1.00 0.00 H ATOM 158 N VAL A 38 1.874 -25.783 -23.233 1.00 44.16 N ATOM 159 CA VAL A 38 1.856 -25.121 -21.923 1.00 45.82 C ATOM 160 C VAL A 38 2.611 -23.771 -21.880 1.00 43.28 C ATOM 161 O VAL A 38 2.013 -22.727 -21.607 1.00 39.79 O ATOM 162 CB VAL A 38 2.420 -26.055 -20.833 1.00 49.52 C ATOM 163 CG1 VAL A 38 2.449 -25.353 -19.475 1.00 36.89 C ATOM 164 CG2 VAL A 38 1.586 -27.350 -20.761 1.00 53.27 C ATOM 165 HA VAL A 38 0.806 -24.898 -21.732 1.00 0.00 H ATOM 166 HB VAL A 38 3.445 -26.315 -21.096 1.00 0.00 H ATOM 167 HG11 VAL A 38 3.080 -24.467 -19.539 1.00 0.00 H ATOM 168 HG12 VAL A 38 1.437 -25.060 -19.197 1.00 0.00 H ATOM 169 HG13 VAL A 38 2.851 -26.033 -18.724 1.00 0.00 H ATOM 170 HG21 VAL A 38 0.552 -27.102 -20.520 1.00 0.00 H ATOM 171 HG22 VAL A 38 1.624 -27.859 -21.724 1.00 0.00 H ATOM 172 HG23 VAL A 38 1.994 -28.001 -19.988 1.00 0.00 H ATOM 173 H VAL A 38 2.725 -26.306 -23.523 1.00 0.00 H ATOM 174 N VAL A 39 3.921 -23.796 -22.114 1.00 43.56 N ATOM 175 CA VAL A 39 4.782 -22.631 -21.816 1.00 39.36 C ATOM 176 C VAL A 39 4.431 -21.502 -22.771 1.00 33.34 C ATOM 177 O VAL A 39 4.045 -20.420 -22.365 1.00 33.79 O ATOM 178 CB VAL A 39 6.273 -23.002 -21.895 1.00 36.78 C ATOM 179 CG1 VAL A 39 7.140 -21.807 -21.615 1.00 43.16 C ATOM 180 CG2 VAL A 39 6.585 -24.081 -20.868 1.00 38.49 C ATOM 181 HA VAL A 39 4.601 -22.299 -20.794 1.00 0.00 H ATOM 182 HB VAL A 39 6.480 -23.363 -22.902 1.00 0.00 H ATOM 183 HG11 VAL A 39 6.933 -21.029 -22.350 1.00 0.00 H ATOM 184 HG12 VAL A 39 6.925 -21.430 -20.615 1.00 0.00 H ATOM 185 HG13 VAL A 39 8.189 -22.098 -21.677 1.00 0.00 H ATOM 186 HG21 VAL A 39 6.356 -23.708 -19.870 1.00 0.00 H ATOM 187 HG22 VAL A 39 5.980 -24.964 -21.075 1.00 0.00 H ATOM 188 HG23 VAL A 39 7.642 -24.342 -20.926 1.00 0.00 H ATOM 189 H VAL A 39 4.349 -24.655 -22.516 1.00 0.00 H ATOM 190 N LEU A 40 4.489 -21.797 -24.050 1.00 33.66 N ATOM 191 CA LEU A 40 4.228 -20.807 -25.059 1.00 31.05 C ATOM 192 C LEU A 40 2.813 -20.302 -24.946 1.00 38.10 C ATOM 193 O LEU A 40 2.583 -19.118 -25.150 1.00 34.72 O ATOM 194 CB LEU A 40 4.500 -21.383 -26.446 1.00 28.38 C ATOM 195 CG LEU A 40 4.144 -20.562 -27.687 1.00 46.81 C ATOM 196 CD1 LEU A 40 4.954 -19.289 -27.724 1.00 37.16 C ATOM 197 CD2 LEU A 40 4.363 -21.408 -28.983 1.00 36.76 C ATOM 198 HA LEU A 40 4.898 -19.961 -24.906 1.00 0.00 H ATOM 199 HB2 LEU A 40 5.569 -21.591 -26.499 1.00 0.00 H ATOM 200 HB3 LEU A 40 3.945 -22.319 -26.515 1.00 0.00 H ATOM 201 HG LEU A 40 3.090 -20.290 -27.638 1.00 0.00 H ATOM 202 HD21 LEU A 40 5.408 -21.711 -29.045 1.00 0.00 H ATOM 203 HD22 LEU A 40 3.728 -22.293 -28.949 1.00 0.00 H ATOM 204 HD23 LEU A 40 4.105 -20.808 -29.855 1.00 0.00 H ATOM 205 HD11 LEU A 40 4.741 -18.698 -26.833 1.00 0.00 H ATOM 206 HD12 LEU A 40 6.015 -19.536 -27.753 1.00 0.00 H ATOM 207 HD13 LEU A 40 4.689 -18.717 -28.613 1.00 0.00 H ATOM 208 H LEU A 40 4.729 -22.767 -24.338 1.00 0.00 H ATOM 209 N LYS A 41 1.866 -21.182 -24.608 1.00 40.39 N ATOM 210 CA LYS A 41 0.442 -20.809 -24.590 1.00 40.93 C ATOM 211 C LYS A 41 0.171 -19.826 -23.453 1.00 34.42 C ATOM 212 O LYS A 41 -0.560 -18.824 -23.607 1.00 30.27 O ATOM 213 CB LYS A 41 -0.441 -22.071 -24.466 1.00 48.75 C ATOM 214 CG LYS A 41 -1.943 -21.835 -24.598 1.00 55.46 C ATOM 215 CD LYS A 41 -2.673 -23.112 -25.093 1.00 84.78 C ATOM 216 CE LYS A 41 -4.188 -23.119 -24.784 1.00 77.00 C ATOM 217 NZ LYS A 41 -4.948 -22.066 -25.520 1.00 77.38 N ATOM 218 HA LYS A 41 0.190 -20.316 -25.529 1.00 0.00 H ATOM 219 HB2 LYS A 41 -0.140 -22.770 -25.246 1.00 0.00 H ATOM 220 HB3 LYS A 41 -0.255 -22.517 -23.489 1.00 0.00 H ATOM 221 HG2 LYS A 41 -2.345 -21.550 -23.626 1.00 0.00 H ATOM 222 HG3 LYS A 41 -2.115 -21.029 -25.311 1.00 0.00 H ATOM 223 HD2 LYS A 41 -2.541 -23.188 -26.172 1.00 0.00 H ATOM 224 HD3 LYS A 41 -2.219 -23.978 -24.611 1.00 0.00 H ATOM 225 HE2 LYS A 41 -4.323 -22.959 -23.714 1.00 0.00 H ATOM 226 HE3 LYS A 41 -4.592 -24.093 -25.059 1.00 0.00 H ATOM 227 HZ1 LYS A 41 -4.580 -21.129 -25.260 1.00 0.00 H ATOM 228 HZ2 LYS A 41 -4.837 -22.212 -26.544 1.00 0.00 H ATOM 229 HZ3 LYS A 41 -5.955 -22.127 -25.267 1.00 0.00 H ATOM 230 H LYS A 41 2.141 -22.152 -24.352 1.00 0.00 H ATOM 231 N ASP A 42 0.815 -20.083 -22.328 1.00 32.90 N ATOM 232 CA ASP A 42 0.643 -19.241 -21.140 1.00 34.50 C ATOM 233 C ASP A 42 1.351 -17.927 -21.270 1.00 29.64 C ATOM 234 O ASP A 42 0.855 -16.900 -20.820 1.00 38.27 O ATOM 235 CB ASP A 42 1.100 -19.996 -19.890 1.00 34.79 C ATOM 236 CG ASP A 42 0.220 -21.235 -19.612 1.00 43.95 C ATOM 237 OD1 ASP A 42 -0.744 -21.473 -20.385 1.00 51.29 O ATOM 238 OD2 ASP A 42 0.525 -21.989 -18.661 1.00 57.23 O ATOM 239 HA ASP A 42 -0.419 -19.013 -21.044 1.00 0.00 H ATOM 240 HB2 ASP A 42 2.131 -20.320 -20.031 1.00 0.00 H ATOM 241 HB3 ASP A 42 1.045 -19.325 -19.033 1.00 0.00 H ATOM 242 H ASP A 42 1.457 -20.900 -22.284 1.00 0.00 H ATOM 243 N LEU A 43 2.510 -17.936 -21.905 1.00 30.27 N ATOM 244 CA LEU A 43 3.188 -16.685 -22.138 1.00 28.07 C ATOM 245 C LEU A 43 2.385 -15.900 -23.100 1.00 20.10 C ATOM 246 O LEU A 43 2.145 -14.716 -22.873 1.00 22.97 O ATOM 247 CB LEU A 43 4.609 -16.879 -22.618 1.00 29.01 C ATOM 248 CG LEU A 43 5.657 -16.742 -21.517 1.00 30.68 C ATOM 249 CD1 LEU A 43 5.456 -17.741 -20.436 1.00 43.29 C ATOM 250 CD2 LEU A 43 7.028 -16.917 -22.168 1.00 37.99 C ATOM 251 HA LEU A 43 3.274 -16.142 -21.197 1.00 0.00 H ATOM 252 HB2 LEU A 43 4.693 -17.876 -23.050 1.00 0.00 H ATOM 253 HB3 LEU A 43 4.817 -16.133 -23.385 1.00 0.00 H ATOM 254 HG LEU A 43 5.573 -15.762 -21.048 1.00 0.00 H ATOM 255 HD21 LEU A 43 7.086 -17.902 -22.631 1.00 0.00 H ATOM 256 HD22 LEU A 43 7.169 -16.148 -22.928 1.00 0.00 H ATOM 257 HD23 LEU A 43 7.804 -16.825 -21.408 1.00 0.00 H ATOM 258 HD11 LEU A 43 4.471 -17.600 -19.991 1.00 0.00 H ATOM 259 HD12 LEU A 43 5.527 -18.745 -20.853 1.00 0.00 H ATOM 260 HD13 LEU A 43 6.223 -17.608 -19.673 1.00 0.00 H ATOM 261 H LEU A 43 2.926 -18.831 -22.231 1.00 0.00 H ATOM 262 N TRP A 44 1.910 -16.559 -24.163 1.00 26.79 N ATOM 263 CA TRP A 44 1.159 -15.857 -25.199 1.00 21.09 C ATOM 264 C TRP A 44 -0.085 -15.179 -24.619 1.00 26.16 C ATOM 265 O TRP A 44 -0.357 -14.017 -24.921 1.00 30.86 O ATOM 266 CB TRP A 44 0.794 -16.781 -26.341 1.00 29.26 C ATOM 267 CG TRP A 44 0.304 -16.053 -27.542 1.00 32.58 C ATOM 268 CD1 TRP A 44 -0.895 -15.445 -27.698 1.00 32.58 C ATOM 269 CD2 TRP A 44 1.009 -15.892 -28.785 1.00 42.70 C ATOM 270 NE1 TRP A 44 -0.972 -14.862 -28.952 1.00 48.28 N ATOM 271 CE2 TRP A 44 0.192 -15.122 -29.632 1.00 36.15 C ATOM 272 CE3 TRP A 44 2.259 -16.311 -29.247 1.00 32.04 C ATOM 273 CZ2 TRP A 44 0.571 -14.781 -30.923 1.00 43.61 C ATOM 274 CZ3 TRP A 44 2.637 -15.974 -30.525 1.00 32.52 C ATOM 275 CH2 TRP A 44 1.801 -15.214 -31.353 1.00 35.51 C ATOM 276 HA TRP A 44 1.807 -15.078 -25.601 1.00 0.00 H ATOM 277 HB2 TRP A 44 1.677 -17.356 -26.619 1.00 0.00 H ATOM 278 HB3 TRP A 44 0.011 -17.460 -26.003 1.00 0.00 H ATOM 279 HE1 TRP A 44 -1.779 -14.317 -29.318 1.00 0.00 H ATOM 280 HD1 TRP A 44 -1.684 -15.418 -26.947 1.00 0.00 H ATOM 281 HZ2 TRP A 44 -0.081 -14.193 -31.569 1.00 0.00 H ATOM 282 HH2 TRP A 44 2.134 -14.961 -32.360 1.00 0.00 H ATOM 283 HZ3 TRP A 44 3.605 -16.304 -30.901 1.00 0.00 H ATOM 284 HE3 TRP A 44 2.921 -16.894 -28.607 1.00 0.00 H ATOM 285 H TRP A 44 2.078 -17.582 -24.252 1.00 0.00 H ATOM 286 N LYS A 45 -0.811 -15.856 -23.758 1.00 33.08 N ATOM 287 CA LYS A 45 -2.061 -15.260 -23.232 1.00 39.64 C ATOM 288 C LYS A 45 -1.879 -14.270 -22.093 1.00 35.63 C ATOM 289 O LYS A 45 -2.802 -13.562 -21.731 1.00 36.20 O ATOM 290 CB LYS A 45 -3.117 -16.328 -22.867 1.00 44.41 C ATOM 291 CG LYS A 45 -2.659 -17.447 -21.997 1.00 57.59 C ATOM 292 CD LYS A 45 -3.459 -17.593 -20.724 1.00 76.57 C ATOM 293 CE LYS A 45 -3.508 -19.052 -20.302 1.00 82.31 C ATOM 294 NZ LYS A 45 -3.655 -19.174 -18.844 1.00 77.42 N ATOM 295 HA LYS A 45 -2.434 -14.672 -24.071 1.00 0.00 H ATOM 296 HB2 LYS A 45 -3.935 -15.823 -22.354 1.00 0.00 H ATOM 297 HB3 LYS A 45 -3.485 -16.761 -23.797 1.00 0.00 H ATOM 298 HG2 LYS A 45 -2.737 -18.376 -22.561 1.00 0.00 H ATOM 299 HG3 LYS A 45 -1.617 -17.272 -21.731 1.00 0.00 H ATOM 300 HD2 LYS A 45 -2.991 -17.005 -19.935 1.00 0.00 H ATOM 301 HD3 LYS A 45 -4.474 -17.232 -20.892 1.00 0.00 H ATOM 302 HE2 LYS A 45 -2.585 -19.544 -20.610 1.00 0.00 H ATOM 303 HE3 LYS A 45 -4.355 -19.536 -20.788 1.00 0.00 H ATOM 304 HZ1 LYS A 45 -2.846 -18.718 -18.376 1.00 0.00 H ATOM 305 HZ2 LYS A 45 -4.537 -18.710 -18.546 1.00 0.00 H ATOM 306 HZ3 LYS A 45 -3.686 -20.180 -18.583 1.00 0.00 H ATOM 307 H LYS A 45 -0.511 -16.802 -23.448 1.00 0.00 H ATOM 308 N HIS A 46 -0.672 -14.172 -21.561 1.00 36.84 N ATOM 309 CA HIS A 46 -0.383 -13.182 -20.530 1.00 29.38 C ATOM 310 C HIS A 46 -0.457 -11.807 -21.156 1.00 32.58 C ATOM 311 O HIS A 46 -0.064 -11.614 -22.304 1.00 32.85 O ATOM 312 CB HIS A 46 1.019 -13.429 -19.962 1.00 32.53 C ATOM 313 CG HIS A 46 1.343 -12.600 -18.753 1.00 37.17 C ATOM 314 ND1 HIS A 46 1.697 -11.271 -18.837 1.00 36.26 N ATOM 315 CD2 HIS A 46 1.400 -12.919 -17.436 1.00 40.09 C ATOM 316 CE1 HIS A 46 1.952 -10.804 -17.626 1.00 43.32 C ATOM 317 NE2 HIS A 46 1.787 -11.783 -16.757 1.00 36.61 N ATOM 318 HA HIS A 46 -1.106 -13.257 -19.718 1.00 0.00 H ATOM 319 HB2 HIS A 46 1.098 -14.481 -19.688 1.00 0.00 H ATOM 320 HB3 HIS A 46 1.749 -13.202 -20.739 1.00 0.00 H ATOM 321 HD2 HIS A 46 1.181 -13.892 -16.996 1.00 0.00 H ATOM 322 HE1 HIS A 46 2.248 -9.783 -17.386 1.00 0.00 H ATOM 323 H HIS A 46 0.083 -14.811 -21.883 1.00 0.00 H ATOM 324 N SER A 47 -0.947 -10.832 -20.417 1.00 35.12 N ATOM 325 CA SER A 47 -1.206 -9.524 -21.010 1.00 42.92 C ATOM 326 C SER A 47 0.057 -8.737 -21.306 1.00 35.73 C ATOM 327 O SER A 47 -0.035 -7.675 -21.879 1.00 38.28 O ATOM 328 CB SER A 47 -2.104 -8.683 -20.088 1.00 47.21 C ATOM 329 OG SER A 47 -1.498 -8.544 -18.833 1.00 52.81 O ATOM 330 HA SER A 47 -1.704 -9.722 -21.959 1.00 0.00 H ATOM 331 HB2 SER A 47 -3.068 -9.178 -19.972 1.00 0.00 H ATOM 332 HB3 SER A 47 -2.254 -7.697 -20.529 1.00 0.00 H ATOM 333 HG SER A 47 -2.081 -8.002 -18.245 1.00 0.00 H ATOM 334 H SER A 47 -1.149 -10.995 -19.410 1.00 0.00 H ATOM 335 N PHE A 48 1.223 -9.217 -20.881 1.00 34.20 N ATOM 336 CA PHE A 48 2.465 -8.519 -21.184 1.00 27.76 C ATOM 337 C PHE A 48 3.074 -9.058 -22.492 1.00 28.01 C ATOM 338 O PHE A 48 4.128 -8.588 -22.942 1.00 24.02 O ATOM 339 CB PHE A 48 3.500 -8.681 -20.076 1.00 27.47 C ATOM 340 CG PHE A 48 3.283 -7.862 -18.842 1.00 27.77 C ATOM 341 CD1 PHE A 48 2.315 -6.868 -18.746 1.00 35.60 C ATOM 342 CD2 PHE A 48 4.088 -8.113 -17.719 1.00 35.77 C ATOM 343 CE1 PHE A 48 2.146 -6.152 -17.554 1.00 42.25 C ATOM 344 CE2 PHE A 48 3.923 -7.404 -16.535 1.00 37.48 C ATOM 345 CZ PHE A 48 2.956 -6.417 -16.449 1.00 43.70 C ATOM 346 HA PHE A 48 2.215 -7.462 -21.280 1.00 0.00 H ATOM 347 HB2 PHE A 48 3.510 -9.730 -19.781 1.00 0.00 H ATOM 348 HB3 PHE A 48 4.473 -8.411 -20.487 1.00 0.00 H ATOM 349 HD2 PHE A 48 4.859 -8.881 -17.777 1.00 0.00 H ATOM 350 HE2 PHE A 48 4.555 -7.625 -15.675 1.00 0.00 H ATOM 351 HZ PHE A 48 2.828 -5.852 -15.526 1.00 0.00 H ATOM 352 HE1 PHE A 48 1.377 -5.383 -17.489 1.00 0.00 H ATOM 353 HD1 PHE A 48 1.683 -6.644 -19.605 1.00 0.00 H ATOM 354 H PHE A 48 1.248 -10.098 -20.328 1.00 0.00 H ATOM 355 N SER A 49 2.431 -10.058 -23.097 1.00 30.76 N ATOM 356 CA SER A 49 3.024 -10.781 -24.227 1.00 23.10 C ATOM 357 C SER A 49 3.063 -9.969 -25.529 1.00 24.78 C ATOM 358 O SER A 49 3.769 -10.335 -26.438 1.00 31.92 O ATOM 359 CB SER A 49 2.252 -12.064 -24.506 1.00 23.17 C ATOM 360 OG SER A 49 1.048 -11.801 -25.269 1.00 26.71 O ATOM 361 HA SER A 49 4.050 -10.989 -23.925 1.00 0.00 H ATOM 362 HB2 SER A 49 1.978 -12.526 -23.558 1.00 0.00 H ATOM 363 HB3 SER A 49 2.888 -12.746 -25.071 1.00 0.00 H ATOM 364 HG SER A 49 0.570 -12.652 -25.433 1.00 0.00 H ATOM 365 H SER A 49 1.486 -10.332 -22.759 1.00 0.00 H ATOM 366 N TRP A 50 2.276 -8.898 -25.629 1.00 23.50 N ATOM 367 CA TRP A 50 1.952 -8.309 -26.920 1.00 27.98 C ATOM 368 C TRP A 50 3.162 -7.716 -27.691 1.00 20.19 C ATOM 369 O TRP A 50 3.145 -7.712 -28.881 1.00 25.61 O ATOM 370 CB TRP A 50 0.768 -7.309 -26.833 1.00 24.81 C ATOM 371 CG TRP A 50 0.965 -6.168 -25.965 1.00 22.53 C ATOM 372 CD1 TRP A 50 0.593 -6.063 -24.677 1.00 21.22 C ATOM 373 CD2 TRP A 50 1.558 -4.924 -26.310 1.00 22.67 C ATOM 374 NE1 TRP A 50 0.980 -4.867 -24.163 1.00 31.96 N ATOM 375 CE2 TRP A 50 1.586 -4.144 -25.147 1.00 27.06 C ATOM 376 CE3 TRP A 50 2.136 -4.421 -27.460 1.00 30.68 C ATOM 377 CZ2 TRP A 50 2.125 -2.866 -25.120 1.00 29.57 C ATOM 378 CZ3 TRP A 50 2.652 -3.145 -27.421 1.00 22.43 C ATOM 379 CH2 TRP A 50 2.647 -2.395 -26.283 1.00 20.21 C ATOM 380 HA TRP A 50 1.627 -9.154 -27.527 1.00 0.00 H ATOM 381 HB2 TRP A 50 0.573 -6.934 -27.838 1.00 0.00 H ATOM 382 HB3 TRP A 50 -0.105 -7.855 -26.474 1.00 0.00 H ATOM 383 HE1 TRP A 50 0.838 -4.555 -23.181 1.00 0.00 H ATOM 384 HD1 TRP A 50 0.055 -6.832 -24.122 1.00 0.00 H ATOM 385 HZ2 TRP A 50 2.130 -2.268 -24.209 1.00 0.00 H ATOM 386 HH2 TRP A 50 3.073 -1.392 -26.306 1.00 0.00 H ATOM 387 HZ3 TRP A 50 3.078 -2.721 -28.330 1.00 0.00 H ATOM 388 HE3 TRP A 50 2.182 -5.017 -28.371 1.00 0.00 H ATOM 389 H TRP A 50 1.884 -8.473 -24.764 1.00 0.00 H ATOM 390 N PRO A 51 4.180 -7.194 -27.005 1.00 20.85 N ATOM 391 CA PRO A 51 5.308 -6.651 -27.760 1.00 17.71 C ATOM 392 C PRO A 51 6.158 -7.758 -28.340 1.00 19.37 C ATOM 393 O PRO A 51 6.967 -7.509 -29.217 1.00 18.04 O ATOM 394 CB PRO A 51 6.118 -5.894 -26.698 1.00 24.65 C ATOM 395 CG PRO A 51 5.129 -5.597 -25.619 1.00 26.60 C ATOM 396 CD PRO A 51 4.264 -6.828 -25.586 1.00 24.23 C ATOM 397 HA PRO A 51 4.985 -6.031 -28.596 1.00 0.00 H ATOM 398 HD3 PRO A 51 4.729 -7.621 -25.001 1.00 0.00 H ATOM 399 HD2 PRO A 51 3.278 -6.607 -25.177 1.00 0.00 H ATOM 400 HG3 PRO A 51 4.540 -4.713 -25.863 1.00 0.00 H ATOM 401 HG2 PRO A 51 5.629 -5.446 -24.662 1.00 0.00 H ATOM 402 HB2 PRO A 51 6.930 -6.514 -26.318 1.00 0.00 H ATOM 403 HB3 PRO A 51 6.528 -4.972 -27.110 1.00 0.00 H ATOM 404 N PHE A 52 5.942 -8.983 -27.863 1.00 20.13 N ATOM 405 CA PHE A 52 6.771 -10.118 -28.207 1.00 21.69 C ATOM 406 C PHE A 52 6.059 -11.125 -29.095 1.00 21.63 C ATOM 407 O PHE A 52 6.644 -12.160 -29.491 1.00 24.63 O ATOM 408 CB PHE A 52 7.237 -10.805 -26.919 1.00 20.37 C ATOM 409 CG PHE A 52 7.862 -9.864 -25.931 1.00 22.77 C ATOM 410 CD1 PHE A 52 9.165 -9.465 -26.084 1.00 17.72 C ATOM 411 CD2 PHE A 52 7.147 -9.381 -24.845 1.00 16.92 C ATOM 412 CE1 PHE A 52 9.765 -8.590 -25.177 1.00 22.88 C ATOM 413 CE2 PHE A 52 7.732 -8.495 -23.962 1.00 23.93 C ATOM 414 CZ PHE A 52 9.056 -8.114 -24.131 1.00 25.59 C ATOM 415 HA PHE A 52 7.621 -9.742 -28.776 1.00 0.00 H ATOM 416 HB2 PHE A 52 6.375 -11.277 -26.448 1.00 0.00 H ATOM 417 HB3 PHE A 52 7.970 -11.568 -27.180 1.00 0.00 H ATOM 418 HD2 PHE A 52 6.117 -9.703 -24.688 1.00 0.00 H ATOM 419 HE2 PHE A 52 7.153 -8.094 -23.130 1.00 0.00 H ATOM 420 HZ PHE A 52 9.523 -7.432 -23.421 1.00 0.00 H ATOM 421 HE1 PHE A 52 10.804 -8.291 -25.313 1.00 0.00 H ATOM 422 HD1 PHE A 52 9.743 -9.838 -26.930 1.00 0.00 H ATOM 423 H PHE A 52 5.142 -9.130 -27.215 1.00 0.00 H ATOM 424 N GLN A 53 4.849 -10.809 -29.507 1.00 30.50 N ATOM 425 CA GLN A 53 4.088 -11.731 -30.380 1.00 31.50 C ATOM 426 C GLN A 53 4.514 -11.728 -31.831 1.00 32.73 C ATOM 427 O GLN A 53 4.305 -12.718 -32.521 1.00 40.78 O ATOM 428 CB GLN A 53 2.594 -11.475 -30.312 1.00 22.61 C ATOM 429 CG GLN A 53 1.986 -11.932 -28.982 1.00 23.83 C ATOM 430 CD GLN A 53 0.544 -11.490 -28.810 1.00 33.35 C ATOM 431 OE1 GLN A 53 -0.088 -11.086 -29.771 1.00 31.42 O ATOM 432 NE2 GLN A 53 0.035 -11.530 -27.564 1.00 24.93 N ATOM 433 HA GLN A 53 4.322 -12.716 -29.977 1.00 0.00 H ATOM 434 HB2 GLN A 53 2.415 -10.406 -30.431 1.00 0.00 H ATOM 435 HB3 GLN A 53 2.108 -12.016 -31.124 1.00 0.00 H ATOM 436 HG2 GLN A 53 2.024 -13.020 -28.937 1.00 0.00 H ATOM 437 HG3 GLN A 53 2.578 -11.515 -28.167 1.00 0.00 H ATOM 438 HE22 GLN A 53 0.615 -11.884 -26.776 1.00 0.00 H ATOM 439 HE21 GLN A 53 -0.938 -11.207 -27.389 1.00 0.00 H ATOM 440 H GLN A 53 4.425 -9.905 -29.217 1.00 0.00 H ATOM 441 N ARG A 54 5.092 -10.637 -32.305 1.00 27.81 N ATOM 442 CA ARG A 54 5.605 -10.596 -33.678 1.00 31.72 C ATOM 443 C ARG A 54 7.038 -10.060 -33.681 1.00 33.10 C ATOM 444 O ARG A 54 7.483 -9.416 -32.721 1.00 24.14 O ATOM 445 CB ARG A 54 4.748 -9.682 -34.566 1.00 34.95 C ATOM 446 CG ARG A 54 3.303 -10.154 -34.867 1.00 50.28 C ATOM 447 CD ARG A 54 3.247 -11.327 -35.839 1.00 68.28 C ATOM 448 NE ARG A 54 1.884 -11.664 -36.271 1.00 81.37 N ATOM 449 CZ ARG A 54 0.989 -12.358 -35.559 1.00 82.51 C ATOM 450 NH1 ARG A 54 1.265 -12.810 -34.337 1.00 60.64 N ATOM 451 NH2 ARG A 54 -0.210 -12.599 -36.078 1.00 89.62 N ATOM 452 HA ARG A 54 5.573 -11.612 -34.072 1.00 0.00 H ATOM 453 HB2 ARG A 54 4.682 -8.711 -34.074 1.00 0.00 H ATOM 454 HB3 ARG A 54 5.264 -9.570 -35.520 1.00 0.00 H ATOM 455 HG2 ARG A 54 2.834 -10.457 -33.930 1.00 0.00 H ATOM 456 HG3 ARG A 54 2.748 -9.320 -35.297 1.00 0.00 H ATOM 457 HD2 ARG A 54 3.681 -12.200 -35.352 1.00 0.00 H ATOM 458 HD3 ARG A 54 3.836 -11.074 -36.720 1.00 0.00 H ATOM 459 HE ARG A 54 1.589 -11.334 -37.212 1.00 0.00 H ATOM 460 HH12 ARG A 54 0.549 -13.347 -33.807 1.00 0.00 H ATOM 461 HH11 ARG A 54 2.197 -12.626 -33.913 1.00 0.00 H ATOM 462 HH22 ARG A 54 -0.914 -13.137 -35.533 1.00 0.00 H ATOM 463 HH21 ARG A 54 -0.445 -12.249 -37.029 1.00 0.00 H ATOM 464 H ARG A 54 5.184 -9.798 -31.697 1.00 0.00 H ATOM 465 N PRO A 55 7.754 -10.277 -34.785 1.00 24.58 N ATOM 466 CA PRO A 55 9.029 -9.603 -34.883 1.00 20.71 C ATOM 467 C PRO A 55 8.922 -8.080 -34.805 1.00 21.48 C ATOM 468 O PRO A 55 7.887 -7.538 -35.131 1.00 26.89 O ATOM 469 CB PRO A 55 9.548 -10.024 -36.269 1.00 26.53 C ATOM 470 CG PRO A 55 8.832 -11.319 -36.578 1.00 30.01 C ATOM 471 CD PRO A 55 7.466 -11.129 -35.959 1.00 25.01 C ATOM 472 HA PRO A 55 9.681 -9.875 -34.053 1.00 0.00 H ATOM 473 HD3 PRO A 55 6.787 -10.629 -36.650 1.00 0.00 H ATOM 474 HD2 PRO A 55 7.036 -12.083 -35.656 1.00 0.00 H ATOM 475 HG3 PRO A 55 9.349 -12.166 -36.128 1.00 0.00 H ATOM 476 HG2 PRO A 55 8.754 -11.473 -37.654 1.00 0.00 H ATOM 477 HB2 PRO A 55 9.308 -9.266 -37.015 1.00 0.00 H ATOM 478 HB3 PRO A 55 10.627 -10.179 -36.244 1.00 0.00 H ATOM 479 N VAL A 56 9.975 -7.411 -34.323 1.00 21.94 N ATOM 480 CA VAL A 56 9.961 -5.953 -34.158 1.00 22.97 C ATOM 481 C VAL A 56 9.820 -5.377 -35.561 1.00 26.73 C ATOM 482 O VAL A 56 10.535 -5.792 -36.487 1.00 27.06 O ATOM 483 CB VAL A 56 11.276 -5.426 -33.544 1.00 26.57 C ATOM 484 CG1 VAL A 56 11.377 -3.917 -33.597 1.00 20.34 C ATOM 485 CG2 VAL A 56 11.447 -5.884 -32.140 1.00 9.69 C ATOM 486 HA VAL A 56 9.151 -5.664 -33.488 1.00 0.00 H ATOM 487 HB VAL A 56 12.077 -5.842 -34.156 1.00 0.00 H ATOM 488 HG11 VAL A 56 11.335 -3.588 -34.635 1.00 0.00 H ATOM 489 HG12 VAL A 56 10.548 -3.479 -33.042 1.00 0.00 H ATOM 490 HG13 VAL A 56 12.321 -3.601 -33.152 1.00 0.00 H ATOM 491 HG21 VAL A 56 10.615 -5.521 -31.537 1.00 0.00 H ATOM 492 HG22 VAL A 56 11.467 -6.974 -32.114 1.00 0.00 H ATOM 493 HG23 VAL A 56 12.384 -5.493 -31.743 1.00 0.00 H ATOM 494 H VAL A 56 10.830 -7.940 -34.057 1.00 0.00 H ATOM 495 N ASP A 57 8.887 -4.442 -35.718 1.00 21.84 N ATOM 496 CA ASP A 57 8.648 -3.799 -36.975 1.00 25.70 C ATOM 497 C ASP A 57 9.391 -2.505 -36.846 1.00 31.60 C ATOM 498 O ASP A 57 8.839 -1.573 -36.308 1.00 24.46 O ATOM 499 CB ASP A 57 7.156 -3.516 -37.176 1.00 25.92 C ATOM 500 CG ASP A 57 6.840 -2.876 -38.547 1.00 31.64 C ATOM 501 OD1 ASP A 57 7.741 -2.247 -39.162 1.00 33.03 O ATOM 502 OD2 ASP A 57 5.665 -3.002 -39.021 1.00 44.28 O ATOM 503 HA ASP A 57 8.964 -4.409 -37.821 1.00 0.00 H ATOM 504 HB2 ASP A 57 6.611 -4.456 -37.098 1.00 0.00 H ATOM 505 HB3 ASP A 57 6.822 -2.838 -36.391 1.00 0.00 H ATOM 506 H ASP A 57 8.310 -4.168 -34.897 1.00 0.00 H ATOM 507 N ALA A 58 10.614 -2.446 -37.376 1.00 31.69 N ATOM 508 CA ALA A 58 11.522 -1.299 -37.168 1.00 24.34 C ATOM 509 C ALA A 58 11.045 -0.044 -37.894 1.00 28.71 C ATOM 510 O ALA A 58 11.283 1.079 -37.442 1.00 27.72 O ATOM 511 CB ALA A 58 12.984 -1.682 -37.627 1.00 23.46 C ATOM 512 HA ALA A 58 11.524 -1.068 -36.103 1.00 0.00 H ATOM 513 HB1 ALA A 58 13.336 -2.531 -37.042 1.00 0.00 H ATOM 514 HB2 ALA A 58 12.974 -1.947 -38.684 1.00 0.00 H ATOM 515 HB3 ALA A 58 13.647 -0.831 -37.470 1.00 0.00 H ATOM 516 H ALA A 58 10.942 -3.241 -37.960 1.00 0.00 H ATOM 517 N VAL A 59 10.394 -0.221 -39.038 1.00 21.67 N ATOM 518 CA VAL A 59 9.810 0.914 -39.766 1.00 21.97 C ATOM 519 C VAL A 59 8.675 1.521 -38.928 1.00 28.30 C ATOM 520 O VAL A 59 8.700 2.697 -38.597 1.00 35.63 O ATOM 521 CB VAL A 59 9.276 0.471 -41.154 1.00 38.10 C ATOM 522 CG1 VAL A 59 8.490 1.583 -41.844 1.00 30.39 C ATOM 523 CG2 VAL A 59 10.400 -0.024 -42.004 1.00 34.38 C ATOM 524 HA VAL A 59 10.585 1.663 -39.932 1.00 0.00 H ATOM 525 HB VAL A 59 8.576 -0.350 -41.002 1.00 0.00 H ATOM 526 HG11 VAL A 59 7.638 1.863 -41.224 1.00 0.00 H ATOM 527 HG12 VAL A 59 9.137 2.448 -41.987 1.00 0.00 H ATOM 528 HG13 VAL A 59 8.135 1.229 -42.812 1.00 0.00 H ATOM 529 HG21 VAL A 59 11.130 0.774 -42.140 1.00 0.00 H ATOM 530 HG22 VAL A 59 10.876 -0.874 -41.516 1.00 0.00 H ATOM 531 HG23 VAL A 59 10.011 -0.332 -42.975 1.00 0.00 H ATOM 532 H VAL A 59 10.296 -1.181 -39.426 1.00 0.00 H ATOM 533 N LYS A 60 7.708 0.716 -38.521 1.00 29.58 N ATOM 534 CA LYS A 60 6.561 1.258 -37.760 1.00 31.22 C ATOM 535 C LYS A 60 6.971 1.867 -36.409 1.00 29.02 C ATOM 536 O LYS A 60 6.391 2.838 -35.956 1.00 29.16 O ATOM 537 CB LYS A 60 5.491 0.177 -37.558 1.00 35.18 C ATOM 538 CG LYS A 60 4.141 0.689 -37.124 1.00 33.31 C ATOM 539 CD LYS A 60 3.090 -0.432 -37.013 1.00 55.83 C ATOM 540 CE LYS A 60 2.635 -0.984 -38.366 1.00 51.16 C ATOM 541 NZ LYS A 60 2.414 0.066 -39.442 1.00 51.29 N ATOM 542 HA LYS A 60 6.146 2.070 -38.357 1.00 0.00 H ATOM 543 HB2 LYS A 60 5.364 -0.354 -38.501 1.00 0.00 H ATOM 544 HB3 LYS A 60 5.850 -0.517 -36.798 1.00 0.00 H ATOM 545 HG2 LYS A 60 4.245 1.168 -36.150 1.00 0.00 H ATOM 546 HG3 LYS A 60 3.795 1.422 -37.853 1.00 0.00 H ATOM 547 HD2 LYS A 60 3.518 -1.250 -36.434 1.00 0.00 H ATOM 548 HD3 LYS A 60 2.218 -0.037 -36.491 1.00 0.00 H ATOM 549 HE2 LYS A 60 1.697 -1.519 -38.216 1.00 0.00 H ATOM 550 HE3 LYS A 60 3.395 -1.679 -38.722 1.00 0.00 H ATOM 551 HZ1 LYS A 60 1.681 0.733 -39.128 1.00 0.00 H ATOM 552 HZ2 LYS A 60 3.302 0.580 -39.611 1.00 0.00 H ATOM 553 HZ3 LYS A 60 2.108 -0.399 -40.321 1.00 0.00 H ATOM 554 H LYS A 60 7.754 -0.300 -38.736 1.00 0.00 H ATOM 555 N LEU A 61 7.985 1.302 -35.771 1.00 31.48 N ATOM 556 CA LEU A 61 8.410 1.779 -34.459 1.00 25.45 C ATOM 557 C LEU A 61 9.510 2.812 -34.600 1.00 30.16 C ATOM 558 O LEU A 61 9.958 3.356 -33.605 1.00 36.20 O ATOM 559 CB LEU A 61 8.935 0.630 -33.661 1.00 27.67 C ATOM 560 CG LEU A 61 7.935 -0.470 -33.307 1.00 32.78 C ATOM 561 CD1 LEU A 61 8.649 -1.440 -32.275 1.00 27.56 C ATOM 562 CD2 LEU A 61 6.721 0.152 -32.711 1.00 30.18 C ATOM 563 HA LEU A 61 7.553 2.231 -33.960 1.00 0.00 H ATOM 564 HB2 LEU A 61 9.743 0.172 -34.232 1.00 0.00 H ATOM 565 HB3 LEU A 61 9.332 1.029 -32.728 1.00 0.00 H ATOM 566 HG LEU A 61 7.625 -1.035 -34.186 1.00 0.00 H ATOM 567 HD21 LEU A 61 7.000 0.700 -31.811 1.00 0.00 H ATOM 568 HD22 LEU A 61 6.275 0.837 -33.431 1.00 0.00 H ATOM 569 HD23 LEU A 61 6.003 -0.627 -32.456 1.00 0.00 H ATOM 570 HD11 LEU A 61 9.541 -1.866 -32.735 1.00 0.00 H ATOM 571 HD12 LEU A 61 8.931 -0.877 -31.385 1.00 0.00 H ATOM 572 HD13 LEU A 61 7.964 -2.241 -31.998 1.00 0.00 H ATOM 573 H LEU A 61 8.487 0.505 -36.212 1.00 0.00 H ATOM 574 N GLN A 62 9.954 3.043 -35.830 1.00 25.33 N ATOM 575 CA GLN A 62 10.989 4.007 -36.138 1.00 25.00 C ATOM 576 C GLN A 62 12.260 3.700 -35.394 1.00 26.02 C ATOM 577 O GLN A 62 12.783 4.580 -34.733 1.00 32.81 O ATOM 578 CB GLN A 62 10.495 5.448 -35.826 1.00 30.62 C ATOM 579 CG GLN A 62 9.201 5.809 -36.552 1.00 42.11 C ATOM 580 CD GLN A 62 8.826 7.277 -36.439 1.00 55.66 C ATOM 581 OE1 GLN A 62 9.475 8.136 -37.020 1.00 71.99 O ATOM 582 NE2 GLN A 62 7.766 7.565 -35.687 1.00 42.08 N ATOM 583 HA GLN A 62 11.209 3.940 -37.203 1.00 0.00 H ATOM 584 HB2 GLN A 62 10.326 5.532 -34.753 1.00 0.00 H ATOM 585 HB3 GLN A 62 11.270 6.153 -36.127 1.00 0.00 H ATOM 586 HG2 GLN A 62 9.318 5.564 -37.608 1.00 0.00 H ATOM 587 HG3 GLN A 62 8.392 5.213 -36.130 1.00 0.00 H ATOM 588 HE22 GLN A 62 7.243 6.802 -35.211 1.00 0.00 H ATOM 589 HE21 GLN A 62 7.460 8.553 -35.576 1.00 0.00 H ATOM 590 H GLN A 62 9.536 2.502 -36.614 1.00 0.00 H ATOM 591 N LEU A 63 12.733 2.443 -35.463 1.00 26.83 N ATOM 592 CA LEU A 63 14.005 2.018 -34.825 1.00 30.35 C ATOM 593 C LEU A 63 14.987 1.557 -35.926 1.00 25.44 C ATOM 594 O LEU A 63 15.165 0.350 -36.180 1.00 32.64 O ATOM 595 CB LEU A 63 13.765 0.908 -33.791 1.00 27.30 C ATOM 596 CG LEU A 63 12.696 1.156 -32.707 1.00 24.81 C ATOM 597 CD1 LEU A 63 12.505 -0.092 -31.807 1.00 38.34 C ATOM 598 CD2 LEU A 63 12.957 2.408 -31.864 1.00 36.73 C ATOM 599 HA LEU A 63 14.438 2.861 -34.287 1.00 0.00 H ATOM 600 HB2 LEU A 63 13.473 0.011 -34.338 1.00 0.00 H ATOM 601 HB3 LEU A 63 14.711 0.728 -33.280 1.00 0.00 H ATOM 602 HG LEU A 63 11.766 1.342 -33.245 1.00 0.00 H ATOM 603 HD21 LEU A 63 13.918 2.310 -31.358 1.00 0.00 H ATOM 604 HD22 LEU A 63 12.974 3.284 -32.512 1.00 0.00 H ATOM 605 HD23 LEU A 63 12.165 2.517 -31.123 1.00 0.00 H ATOM 606 HD11 LEU A 63 12.188 -0.936 -32.420 1.00 0.00 H ATOM 607 HD12 LEU A 63 13.448 -0.332 -31.316 1.00 0.00 H ATOM 608 HD13 LEU A 63 11.745 0.117 -31.054 1.00 0.00 H ATOM 609 H LEU A 63 12.182 1.735 -35.988 1.00 0.00 H ATOM 610 N PRO A 64 15.589 2.517 -36.643 1.00 31.34 N ATOM 611 CA PRO A 64 16.496 2.125 -37.737 1.00 30.29 C ATOM 612 C PRO A 64 17.761 1.383 -37.268 1.00 29.91 C ATOM 613 O PRO A 64 18.424 0.703 -38.070 1.00 26.42 O ATOM 614 CB PRO A 64 16.852 3.444 -38.376 1.00 31.98 C ATOM 615 CG PRO A 64 16.535 4.492 -37.340 1.00 35.58 C ATOM 616 CD PRO A 64 15.428 3.980 -36.534 1.00 30.35 C ATOM 617 HA PRO A 64 16.018 1.413 -38.410 1.00 0.00 H ATOM 618 HD3 PRO A 64 15.512 4.308 -35.498 1.00 0.00 H ATOM 619 HD2 PRO A 64 14.468 4.300 -36.938 1.00 0.00 H ATOM 620 HG3 PRO A 64 16.244 5.423 -37.827 1.00 0.00 H ATOM 621 HG2 PRO A 64 17.406 4.670 -36.709 1.00 0.00 H ATOM 622 HB2 PRO A 64 17.911 3.470 -38.633 1.00 0.00 H ATOM 623 HB3 PRO A 64 16.257 3.605 -39.275 1.00 0.00 H ATOM 624 N ASP A 65 18.071 1.500 -35.981 1.00 26.73 N ATOM 625 CA ASP A 65 19.234 0.838 -35.411 1.00 26.29 C ATOM 626 C ASP A 65 18.932 -0.569 -34.924 1.00 27.92 C ATOM 627 O ASP A 65 19.843 -1.315 -34.640 1.00 29.14 O ATOM 628 CB ASP A 65 19.889 1.680 -34.301 1.00 28.37 C ATOM 629 CG ASP A 65 18.965 1.988 -33.137 1.00 34.02 C ATOM 630 OD1 ASP A 65 19.498 2.369 -32.085 1.00 41.13 O ATOM 631 OD2 ASP A 65 17.731 1.882 -33.263 1.00 48.20 O ATOM 632 HA ASP A 65 19.952 0.743 -36.225 1.00 0.00 H ATOM 633 HB2 ASP A 65 20.752 1.134 -33.920 1.00 0.00 H ATOM 634 HB3 ASP A 65 20.220 2.623 -34.735 1.00 0.00 H ATOM 635 H ASP A 65 17.466 2.080 -35.365 1.00 0.00 H ATOM 636 N TYR A 66 17.661 -0.970 -34.862 1.00 30.67 N ATOM 637 CA TYR A 66 17.322 -2.170 -34.082 1.00 23.45 C ATOM 638 C TYR A 66 17.973 -3.438 -34.599 1.00 27.09 C ATOM 639 O TYR A 66 18.565 -4.196 -33.828 1.00 19.91 O ATOM 640 CB TYR A 66 15.800 -2.367 -33.972 1.00 28.61 C ATOM 641 CG TYR A 66 15.445 -3.579 -33.155 1.00 18.78 C ATOM 642 CD1 TYR A 66 15.265 -3.494 -31.810 1.00 17.88 C ATOM 643 CD2 TYR A 66 15.342 -4.819 -33.729 1.00 21.84 C ATOM 644 CE1 TYR A 66 14.971 -4.587 -31.039 1.00 17.15 C ATOM 645 CE2 TYR A 66 15.043 -5.936 -32.948 1.00 14.29 C ATOM 646 CZ TYR A 66 14.860 -5.808 -31.601 1.00 27.11 C ATOM 647 OH TYR A 66 14.562 -6.908 -30.801 1.00 18.71 O ATOM 648 HA TYR A 66 17.731 -1.986 -33.089 1.00 0.00 H ATOM 649 HB3 TYR A 66 15.387 -2.485 -34.974 1.00 0.00 H ATOM 650 HB2 TYR A 66 15.364 -1.486 -33.502 1.00 0.00 H ATOM 651 HD2 TYR A 66 15.495 -4.934 -34.802 1.00 0.00 H ATOM 652 HE2 TYR A 66 14.955 -6.916 -33.416 1.00 0.00 H ATOM 653 HE1 TYR A 66 14.826 -4.469 -29.965 1.00 0.00 H ATOM 654 HD1 TYR A 66 15.358 -2.521 -31.328 1.00 0.00 H ATOM 655 HH TYR A 66 14.467 -6.614 -29.860 1.00 0.00 H ATOM 656 H TYR A 66 16.918 -0.440 -35.360 1.00 0.00 H ATOM 657 N TYR A 67 17.839 -3.707 -35.891 1.00 26.25 N ATOM 658 CA TYR A 67 18.354 -4.968 -36.441 1.00 19.45 C ATOM 659 C TYR A 67 19.877 -4.948 -36.664 1.00 27.07 C ATOM 660 O TYR A 67 20.450 -5.962 -37.057 1.00 28.86 O ATOM 661 CB TYR A 67 17.618 -5.369 -37.719 1.00 17.62 C ATOM 662 CG TYR A 67 16.242 -5.904 -37.407 1.00 18.84 C ATOM 663 CD1 TYR A 67 16.086 -7.151 -36.809 1.00 24.23 C ATOM 664 CD2 TYR A 67 15.101 -5.127 -37.607 1.00 24.77 C ATOM 665 CE1 TYR A 67 14.823 -7.650 -36.492 1.00 21.65 C ATOM 666 CE2 TYR A 67 13.830 -5.615 -37.274 1.00 21.67 C ATOM 667 CZ TYR A 67 13.705 -6.857 -36.736 1.00 24.57 C ATOM 668 OH TYR A 67 12.472 -7.315 -36.428 1.00 23.74 O ATOM 669 HA TYR A 67 18.158 -5.728 -35.684 1.00 0.00 H ATOM 670 HB3 TYR A 67 18.192 -6.140 -38.234 1.00 0.00 H ATOM 671 HB2 TYR A 67 17.523 -4.496 -38.365 1.00 0.00 H ATOM 672 HD2 TYR A 67 15.199 -4.126 -38.028 1.00 0.00 H ATOM 673 HE2 TYR A 67 12.946 -5.001 -37.446 1.00 0.00 H ATOM 674 HE1 TYR A 67 14.713 -8.645 -36.060 1.00 0.00 H ATOM 675 HD1 TYR A 67 16.969 -7.750 -36.584 1.00 0.00 H ATOM 676 HH TYR A 67 12.054 -6.712 -35.763 1.00 0.00 H ATOM 677 H TYR A 67 17.368 -3.023 -36.517 1.00 0.00 H ATOM 678 N THR A 68 20.525 -3.823 -36.369 1.00 27.07 N ATOM 679 CA THR A 68 21.986 -3.781 -36.286 1.00 31.28 C ATOM 680 C THR A 68 22.445 -4.136 -34.906 1.00 29.33 C ATOM 681 O THR A 68 23.401 -4.871 -34.732 1.00 32.92 O ATOM 682 CB THR A 68 22.533 -2.424 -36.644 1.00 30.23 C ATOM 683 OG1 THR A 68 22.131 -2.115 -37.977 1.00 25.72 O ATOM 684 CG2 THR A 68 24.065 -2.426 -36.597 1.00 35.92 C ATOM 685 HA THR A 68 22.362 -4.509 -37.005 1.00 0.00 H ATOM 686 HB THR A 68 22.154 -1.691 -35.932 1.00 0.00 H ATOM 687 HG1 THR A 68 21.142 -2.107 -38.029 1.00 0.00 H ATOM 688 HG23 THR A 68 24.396 -2.660 -35.585 1.00 0.00 H ATOM 689 HG21 THR A 68 24.447 -3.177 -37.289 1.00 0.00 H ATOM 690 HG22 THR A 68 24.437 -1.442 -36.884 1.00 0.00 H ATOM 691 H THR A 68 19.981 -2.954 -36.194 1.00 0.00 H ATOM 692 N ILE A 69 21.741 -3.639 -33.905 1.00 26.86 N ATOM 693 CA ILE A 69 22.123 -3.944 -32.534 1.00 23.14 C ATOM 694 C ILE A 69 21.746 -5.381 -32.152 1.00 27.23 C ATOM 695 O ILE A 69 22.452 -6.014 -31.381 1.00 31.04 O ATOM 696 CB ILE A 69 21.518 -2.930 -31.575 1.00 21.59 C ATOM 697 CG1 ILE A 69 22.141 -1.559 -31.851 1.00 23.02 C ATOM 698 CG2 ILE A 69 21.762 -3.348 -30.071 1.00 15.11 C ATOM 699 CD1 ILE A 69 21.577 -0.439 -31.014 1.00 27.23 C ATOM 700 HA ILE A 69 23.208 -3.871 -32.459 1.00 0.00 H ATOM 701 HB ILE A 69 20.440 -2.890 -31.734 1.00 0.00 H ATOM 702 HG12 ILE A 69 23.211 -1.625 -31.656 1.00 0.00 H ATOM 703 HG13 ILE A 69 21.979 -1.315 -32.901 1.00 0.00 H ATOM 704 HD11 ILE A 69 20.508 -0.347 -31.205 1.00 0.00 H ATOM 705 HD12 ILE A 69 21.742 -0.657 -29.959 1.00 0.00 H ATOM 706 HD13 ILE A 69 22.075 0.495 -31.275 1.00 0.00 H ATOM 707 HG21 ILE A 69 21.303 -4.319 -29.886 1.00 0.00 H ATOM 708 HG22 ILE A 69 22.834 -3.410 -29.882 1.00 0.00 H ATOM 709 HG23 ILE A 69 21.317 -2.603 -29.411 1.00 0.00 H ATOM 710 H ILE A 69 20.918 -3.033 -34.096 1.00 0.00 H ATOM 711 N ILE A 70 20.624 -5.870 -32.685 1.00 21.70 N ATOM 712 CA ILE A 70 20.088 -7.177 -32.337 1.00 19.61 C ATOM 713 C ILE A 70 20.312 -8.081 -33.547 1.00 25.27 C ATOM 714 O ILE A 70 19.584 -8.017 -34.523 1.00 25.43 O ATOM 715 CB ILE A 70 18.604 -7.079 -31.988 1.00 24.22 C ATOM 716 CG1 ILE A 70 18.424 -6.241 -30.720 1.00 22.25 C ATOM 717 CG2 ILE A 70 17.979 -8.453 -31.806 1.00 16.02 C ATOM 718 CD1 ILE A 70 19.306 -6.740 -29.514 1.00 23.51 C ATOM 719 HA ILE A 70 20.588 -7.583 -31.457 1.00 0.00 H ATOM 720 HB ILE A 70 18.093 -6.594 -32.819 1.00 0.00 H ATOM 721 HG12 ILE A 70 18.696 -5.210 -30.945 1.00 0.00 H ATOM 722 HG13 ILE A 70 17.376 -6.282 -30.423 1.00 0.00 H ATOM 723 HD11 ILE A 70 19.038 -7.768 -29.270 1.00 0.00 H ATOM 724 HD12 ILE A 70 20.359 -6.694 -29.792 1.00 0.00 H ATOM 725 HD13 ILE A 70 19.130 -6.102 -28.648 1.00 0.00 H ATOM 726 HG21 ILE A 70 18.078 -9.021 -32.731 1.00 0.00 H ATOM 727 HG22 ILE A 70 18.489 -8.979 -30.998 1.00 0.00 H ATOM 728 HG23 ILE A 70 16.923 -8.341 -31.559 1.00 0.00 H ATOM 729 H ILE A 70 20.110 -5.291 -33.380 1.00 0.00 H ATOM 730 N LYS A 71 21.365 -8.891 -33.470 1.00 36.25 N ATOM 731 CA LYS A 71 21.773 -9.779 -34.550 1.00 36.39 C ATOM 732 C LYS A 71 21.093 -11.138 -34.560 1.00 36.41 C ATOM 733 O LYS A 71 21.057 -11.799 -35.590 1.00 35.22 O ATOM 734 CB LYS A 71 23.306 -9.932 -34.523 1.00 39.95 C ATOM 735 CG LYS A 71 24.041 -8.709 -35.187 1.00 49.41 C ATOM 736 CD LYS A 71 23.212 -8.142 -36.409 1.00 59.86 C ATOM 737 CE LYS A 71 23.959 -7.239 -37.382 1.00 70.34 C ATOM 738 NZ LYS A 71 23.159 -7.131 -38.650 1.00 68.65 N ATOM 739 HA LYS A 71 21.444 -9.307 -35.476 1.00 0.00 H ATOM 740 HB2 LYS A 71 23.632 -10.016 -33.486 1.00 0.00 H ATOM 741 HB3 LYS A 71 23.577 -10.839 -35.063 1.00 0.00 H ATOM 742 HG2 LYS A 71 24.164 -7.921 -34.444 1.00 0.00 H ATOM 743 HG3 LYS A 71 25.021 -9.031 -35.540 1.00 0.00 H ATOM 744 HD2 LYS A 71 22.831 -8.993 -36.974 1.00 0.00 H ATOM 745 HD3 LYS A 71 22.375 -7.572 -36.005 1.00 0.00 H ATOM 746 HE2 LYS A 71 24.938 -7.665 -37.601 1.00 0.00 H ATOM 747 HE3 LYS A 71 24.085 -6.250 -36.942 1.00 0.00 H ATOM 748 HZ1 LYS A 71 23.040 -8.077 -39.065 1.00 0.00 H ATOM 749 HZ2 LYS A 71 22.226 -6.725 -38.436 1.00 0.00 H ATOM 750 HZ3 LYS A 71 23.660 -6.516 -39.323 1.00 0.00 H ATOM 751 H LYS A 71 21.925 -8.890 -32.594 1.00 0.00 H ATOM 752 N ASN A 72 20.556 -11.560 -33.424 1.00 32.37 N ATOM 753 CA ASN A 72 19.745 -12.762 -33.388 1.00 33.78 C ATOM 754 C ASN A 72 18.351 -12.414 -32.906 1.00 27.36 C ATOM 755 O ASN A 72 17.969 -12.732 -31.766 1.00 29.20 O ATOM 756 CB ASN A 72 20.422 -13.852 -32.559 1.00 29.51 C ATOM 757 CG ASN A 72 21.855 -14.089 -33.016 1.00 54.55 C ATOM 758 OD1 ASN A 72 22.802 -13.950 -32.232 1.00 51.45 O ATOM 759 ND2 ASN A 72 22.026 -14.388 -34.315 1.00 53.48 N ATOM 760 HA ASN A 72 19.646 -13.176 -34.391 1.00 0.00 H ATOM 761 HB2 ASN A 72 20.429 -13.549 -31.512 1.00 0.00 H ATOM 762 HB3 ASN A 72 19.858 -14.779 -32.664 1.00 0.00 H ATOM 763 HD22 ASN A 72 21.199 -14.495 -34.937 1.00 0.00 H ATOM 764 HD21 ASN A 72 22.985 -14.512 -34.698 1.00 0.00 H ATOM 765 H ASN A 72 20.718 -11.023 -32.548 1.00 0.00 H ATOM 766 N PRO A 73 17.560 -11.757 -33.783 1.00 26.22 N ATOM 767 CA PRO A 73 16.206 -11.397 -33.317 1.00 22.95 C ATOM 768 C PRO A 73 15.377 -12.647 -33.018 1.00 26.12 C ATOM 769 O PRO A 73 15.601 -13.690 -33.628 1.00 24.53 O ATOM 770 CB PRO A 73 15.628 -10.583 -34.475 1.00 33.48 C ATOM 771 CG PRO A 73 16.539 -10.817 -35.670 1.00 32.25 C ATOM 772 CD PRO A 73 17.778 -11.457 -35.213 1.00 20.06 C ATOM 773 HA PRO A 73 16.209 -10.834 -32.383 1.00 0.00 H ATOM 774 HD3 PRO A 73 17.962 -12.375 -35.772 1.00 0.00 H ATOM 775 HD2 PRO A 73 18.625 -10.782 -35.337 1.00 0.00 H ATOM 776 HG3 PRO A 73 16.774 -9.863 -36.143 1.00 0.00 H ATOM 777 HG2 PRO A 73 16.038 -11.464 -36.390 1.00 0.00 H ATOM 778 HB2 PRO A 73 14.616 -10.918 -34.702 1.00 0.00 H ATOM 779 HB3 PRO A 73 15.609 -9.524 -34.218 1.00 0.00 H ATOM 780 N MET A 74 14.490 -12.560 -32.023 1.00 18.46 N ATOM 781 CA MET A 74 13.620 -13.657 -31.694 1.00 24.75 C ATOM 782 C MET A 74 12.317 -13.098 -31.130 1.00 26.11 C ATOM 783 O MET A 74 12.272 -11.978 -30.596 1.00 21.04 O ATOM 784 CB MET A 74 14.296 -14.594 -30.684 1.00 26.04 C ATOM 785 CG MET A 74 13.551 -15.866 -30.394 1.00 31.93 C ATOM 786 SD MET A 74 13.159 -16.764 -31.901 1.00 34.39 S ATOM 787 CE MET A 74 14.769 -17.160 -32.603 1.00 30.07 C ATOM 788 HA MET A 74 13.405 -14.239 -32.590 1.00 0.00 H ATOM 789 HB2 MET A 74 15.278 -14.860 -31.075 1.00 0.00 H ATOM 790 HB3 MET A 74 14.414 -14.051 -29.746 1.00 0.00 H ATOM 791 HG2 MET A 74 12.623 -15.622 -29.876 1.00 0.00 H ATOM 792 HG3 MET A 74 14.167 -16.499 -29.755 1.00 0.00 H ATOM 793 HE1 MET A 74 15.313 -16.237 -32.804 1.00 0.00 H ATOM 794 HE2 MET A 74 15.332 -17.769 -31.896 1.00 0.00 H ATOM 795 HE3 MET A 74 14.633 -17.713 -33.533 1.00 0.00 H ATOM 796 H MET A 74 14.427 -11.679 -31.474 1.00 0.00 H ATOM 797 N ASP A 75 11.256 -13.861 -31.320 1.00 23.24 N ATOM 798 CA ASP A 75 9.913 -13.477 -30.886 1.00 20.63 C ATOM 799 C ASP A 75 9.068 -14.715 -30.782 1.00 21.25 C ATOM 800 O ASP A 75 9.493 -15.809 -31.171 1.00 26.28 O ATOM 801 CB ASP A 75 9.272 -12.526 -31.899 1.00 17.88 C ATOM 802 CG ASP A 75 9.028 -13.180 -33.223 1.00 28.73 C ATOM 803 OD1 ASP A 75 7.877 -13.640 -33.461 1.00 34.62 O ATOM 804 OD2 ASP A 75 9.991 -13.244 -34.007 1.00 35.09 O ATOM 805 HA ASP A 75 9.981 -12.973 -29.922 1.00 0.00 H ATOM 806 HB2 ASP A 75 8.319 -12.179 -31.499 1.00 0.00 H ATOM 807 HB3 ASP A 75 9.935 -11.673 -32.047 1.00 0.00 H ATOM 808 H ASP A 75 11.381 -14.775 -31.799 1.00 0.00 H ATOM 809 N LEU A 76 7.886 -14.560 -30.212 1.00 22.78 N ATOM 810 CA LEU A 76 7.076 -15.717 -29.837 1.00 21.59 C ATOM 811 C LEU A 76 6.447 -16.415 -31.036 1.00 25.02 C ATOM 812 O LEU A 76 6.275 -17.605 -31.018 1.00 26.41 O ATOM 813 CB LEU A 76 5.975 -15.279 -28.916 1.00 21.63 C ATOM 814 CG LEU A 76 6.423 -14.840 -27.538 1.00 22.25 C ATOM 815 CD1 LEU A 76 5.200 -14.243 -26.800 1.00 22.73 C ATOM 816 CD2 LEU A 76 6.985 -16.006 -26.746 1.00 22.03 C ATOM 817 HA LEU A 76 7.747 -16.425 -29.350 1.00 0.00 H ATOM 818 HB2 LEU A 76 5.456 -14.443 -29.384 1.00 0.00 H ATOM 819 HB3 LEU A 76 5.284 -16.113 -28.796 1.00 0.00 H ATOM 820 HG LEU A 76 7.214 -14.096 -27.636 1.00 0.00 H ATOM 821 HD21 LEU A 76 6.217 -16.772 -26.635 1.00 0.00 H ATOM 822 HD22 LEU A 76 7.842 -16.423 -27.274 1.00 0.00 H ATOM 823 HD23 LEU A 76 7.298 -15.658 -25.762 1.00 0.00 H ATOM 824 HD11 LEU A 76 4.820 -13.389 -27.361 1.00 0.00 H ATOM 825 HD12 LEU A 76 4.421 -15.001 -26.718 1.00 0.00 H ATOM 826 HD13 LEU A 76 5.501 -13.920 -25.803 1.00 0.00 H ATOM 827 H LEU A 76 7.527 -13.601 -30.028 1.00 0.00 H ATOM 828 N ASN A 77 6.117 -15.645 -32.069 1.00 24.67 N ATOM 829 CA ASN A 77 5.621 -16.195 -33.315 1.00 28.45 C ATOM 830 C ASN A 77 6.650 -16.994 -34.070 1.00 33.02 C ATOM 831 O ASN A 77 6.327 -18.041 -34.601 1.00 39.19 O ATOM 832 CB ASN A 77 5.077 -15.105 -34.230 1.00 25.49 C ATOM 833 CG ASN A 77 4.039 -15.645 -35.172 1.00 38.04 C ATOM 834 OD1 ASN A 77 4.109 -15.446 -36.368 1.00 52.68 O ATOM 835 ND2 ASN A 77 3.100 -16.365 -34.634 1.00 32.63 N ATOM 836 HA ASN A 77 4.818 -16.873 -33.024 1.00 0.00 H ATOM 837 HB2 ASN A 77 4.629 -14.321 -33.620 1.00 0.00 H ATOM 838 HB3 ASN A 77 5.899 -14.686 -34.810 1.00 0.00 H ATOM 839 HD22 ASN A 77 3.080 -16.508 -33.604 1.00 0.00 H ATOM 840 HD21 ASN A 77 2.369 -16.798 -35.233 1.00 0.00 H ATOM 841 H ASN A 77 6.218 -14.614 -31.980 1.00 0.00 H ATOM 842 N THR A 78 7.900 -16.536 -34.083 1.00 33.37 N ATOM 843 CA THR A 78 8.974 -17.374 -34.577 1.00 29.41 C ATOM 844 C THR A 78 9.120 -18.636 -33.759 1.00 28.93 C ATOM 845 O THR A 78 9.312 -19.724 -34.293 1.00 30.49 O ATOM 846 CB THR A 78 10.298 -16.638 -34.612 1.00 31.12 C ATOM 847 OG1 THR A 78 10.113 -15.426 -35.346 1.00 34.83 O ATOM 848 CG2 THR A 78 11.364 -17.476 -35.308 1.00 29.45 C ATOM 849 HA THR A 78 8.702 -17.646 -35.597 1.00 0.00 H ATOM 850 HB THR A 78 10.625 -16.436 -33.592 1.00 0.00 H ATOM 851 HG1 THR A 78 9.426 -14.872 -34.898 1.00 0.00 H ATOM 852 HG23 THR A 78 11.513 -18.404 -34.756 1.00 0.00 H ATOM 853 HG21 THR A 78 11.039 -17.704 -36.323 1.00 0.00 H ATOM 854 HG22 THR A 78 12.299 -16.917 -35.341 1.00 0.00 H ATOM 855 H THR A 78 8.106 -15.577 -33.739 1.00 0.00 H ATOM 856 N ILE A 79 9.058 -18.530 -32.449 1.00 27.04 N ATOM 857 CA ILE A 79 9.246 -19.749 -31.669 1.00 25.73 C ATOM 858 C ILE A 79 8.080 -20.711 -31.983 1.00 35.58 C ATOM 859 O ILE A 79 8.260 -21.920 -32.075 1.00 38.82 O ATOM 860 CB ILE A 79 9.338 -19.456 -30.177 1.00 30.18 C ATOM 861 CG1 ILE A 79 10.609 -18.644 -29.879 1.00 29.73 C ATOM 862 CG2 ILE A 79 9.259 -20.782 -29.383 1.00 40.72 C ATOM 863 CD1 ILE A 79 10.658 -17.968 -28.438 1.00 20.90 C ATOM 864 HA ILE A 79 10.192 -20.214 -31.947 1.00 0.00 H ATOM 865 HB ILE A 79 8.496 -18.843 -29.856 1.00 0.00 H ATOM 866 HG12 ILE A 79 11.465 -19.312 -29.968 1.00 0.00 H ATOM 867 HG13 ILE A 79 10.688 -17.854 -30.626 1.00 0.00 H ATOM 868 HD11 ILE A 79 9.818 -17.282 -28.331 1.00 0.00 H ATOM 869 HD12 ILE A 79 10.596 -18.742 -27.673 1.00 0.00 H ATOM 870 HD13 ILE A 79 11.593 -17.419 -28.327 1.00 0.00 H ATOM 871 HG21 ILE A 79 8.312 -21.277 -29.598 1.00 0.00 H ATOM 872 HG22 ILE A 79 10.084 -21.430 -29.678 1.00 0.00 H ATOM 873 HG23 ILE A 79 9.325 -20.570 -28.316 1.00 0.00 H ATOM 874 H ILE A 79 8.882 -17.614 -31.988 1.00 0.00 H ATOM 875 N LYS A 80 6.888 -20.159 -32.177 1.00 36.02 N ATOM 876 CA LYS A 80 5.702 -20.975 -32.442 1.00 43.86 C ATOM 877 C LYS A 80 5.792 -21.657 -33.799 1.00 42.58 C ATOM 878 O LYS A 80 5.665 -22.868 -33.896 1.00 38.18 O ATOM 879 CB LYS A 80 4.434 -20.108 -32.387 1.00 47.67 C ATOM 880 CG LYS A 80 3.143 -20.795 -32.833 1.00 45.68 C ATOM 881 CD LYS A 80 1.898 -19.970 -32.491 1.00 51.14 C ATOM 882 CE LYS A 80 1.311 -19.235 -33.690 1.00 75.51 C ATOM 883 NZ LYS A 80 -0.003 -19.822 -34.135 1.00 54.68 N ATOM 884 HA LYS A 80 5.651 -21.744 -31.671 1.00 0.00 H ATOM 885 HB2 LYS A 80 4.299 -19.776 -31.358 1.00 0.00 H ATOM 886 HB3 LYS A 80 4.592 -19.241 -33.029 1.00 0.00 H ATOM 887 HG2 LYS A 80 3.180 -20.944 -33.912 1.00 0.00 H ATOM 888 HG3 LYS A 80 3.070 -21.762 -32.336 1.00 0.00 H ATOM 889 HD2 LYS A 80 1.138 -20.641 -32.091 1.00 0.00 H ATOM 890 HD3 LYS A 80 2.168 -19.235 -31.733 1.00 0.00 H ATOM 891 HE2 LYS A 80 2.019 -19.292 -34.517 1.00 0.00 H ATOM 892 HE3 LYS A 80 1.155 -18.191 -33.419 1.00 0.00 H ATOM 893 HZ1 LYS A 80 0.136 -20.817 -34.404 1.00 0.00 H ATOM 894 HZ2 LYS A 80 -0.689 -19.765 -33.355 1.00 0.00 H ATOM 895 HZ3 LYS A 80 -0.361 -19.288 -34.952 1.00 0.00 H ATOM 896 H LYS A 80 6.795 -19.124 -32.140 1.00 0.00 H ATOM 897 N LYS A 81 5.971 -20.844 -34.835 1.00 45.51 N ATOM 898 CA LYS A 81 6.145 -21.326 -36.198 1.00 45.64 C ATOM 899 C LYS A 81 7.205 -22.430 -36.208 1.00 46.55 C ATOM 900 O LYS A 81 6.975 -23.499 -36.763 1.00 50.11 O ATOM 901 CB LYS A 81 6.452 -20.171 -37.160 1.00 42.72 C ATOM 902 CG LYS A 81 5.172 -19.577 -37.787 1.00 55.34 C ATOM 903 CD LYS A 81 5.333 -18.132 -38.312 1.00 73.83 C ATOM 904 CE LYS A 81 6.130 -18.036 -39.622 1.00 86.28 C ATOM 905 NZ LYS A 81 6.832 -16.706 -39.784 1.00 68.24 N ATOM 906 HA LYS A 81 5.215 -21.762 -36.562 1.00 0.00 H ATOM 907 HB2 LYS A 81 6.971 -19.385 -36.611 1.00 0.00 H ATOM 908 HB3 LYS A 81 7.095 -20.541 -37.959 1.00 0.00 H ATOM 909 HG2 LYS A 81 4.873 -20.212 -38.621 1.00 0.00 H ATOM 910 HG3 LYS A 81 4.388 -19.580 -37.030 1.00 0.00 H ATOM 911 HD2 LYS A 81 4.340 -17.714 -38.481 1.00 0.00 H ATOM 912 HD3 LYS A 81 5.848 -17.545 -37.552 1.00 0.00 H ATOM 913 HE2 LYS A 81 5.444 -18.172 -40.458 1.00 0.00 H ATOM 914 HE3 LYS A 81 6.878 -18.829 -39.634 1.00 0.00 H ATOM 915 HZ1 LYS A 81 6.127 -15.941 -39.783 1.00 0.00 H ATOM 916 HZ2 LYS A 81 7.496 -16.568 -38.996 1.00 0.00 H ATOM 917 HZ3 LYS A 81 7.353 -16.698 -40.684 1.00 0.00 H ATOM 918 H LYS A 81 5.988 -19.818 -34.665 1.00 0.00 H ATOM 919 N ARG A 82 8.302 -22.209 -35.494 1.00 46.48 N ATOM 920 CA ARG A 82 9.352 -23.224 -35.318 1.00 44.59 C ATOM 921 C ARG A 82 8.888 -24.492 -34.646 1.00 44.13 C ATOM 922 O ARG A 82 9.297 -25.557 -35.074 1.00 49.53 O ATOM 923 CB ARG A 82 10.566 -22.671 -34.559 1.00 36.26 C ATOM 924 CG ARG A 82 11.443 -21.857 -35.437 1.00 34.25 C ATOM 925 CD ARG A 82 12.720 -21.411 -34.736 1.00 32.15 C ATOM 926 NE ARG A 82 13.511 -20.544 -35.606 1.00 32.46 N ATOM 927 CZ ARG A 82 14.727 -20.077 -35.318 1.00 36.29 C ATOM 928 NH1 ARG A 82 15.326 -19.303 -36.184 1.00 36.87 N ATOM 929 NH2 ARG A 82 15.336 -20.373 -34.164 1.00 31.18 N ATOM 930 HA ARG A 82 9.638 -23.484 -36.337 1.00 0.00 H ATOM 931 HB2 ARG A 82 10.214 -22.048 -33.737 1.00 0.00 H ATOM 932 HB3 ARG A 82 11.143 -23.505 -34.160 1.00 0.00 H ATOM 933 HG2 ARG A 82 11.713 -22.452 -36.310 1.00 0.00 H ATOM 934 HG3 ARG A 82 10.893 -20.972 -35.757 1.00 0.00 H ATOM 935 HD2 ARG A 82 13.310 -22.289 -34.474 1.00 0.00 H ATOM 936 HD3 ARG A 82 12.459 -20.866 -33.829 1.00 0.00 H ATOM 937 HE ARG A 82 13.095 -20.270 -36.519 1.00 0.00 H ATOM 938 HH12 ARG A 82 16.274 -18.929 -35.978 1.00 0.00 H ATOM 939 HH11 ARG A 82 14.854 -19.061 -37.079 1.00 0.00 H ATOM 940 HH22 ARG A 82 16.284 -19.995 -33.965 1.00 0.00 H ATOM 941 HH21 ARG A 82 14.861 -20.981 -33.466 1.00 0.00 H ATOM 942 H ARG A 82 8.424 -21.281 -35.041 1.00 0.00 H ATOM 943 N LEU A 83 8.080 -24.410 -33.589 1.00 47.19 N ATOM 944 CA LEU A 83 7.509 -25.643 -32.995 1.00 48.60 C ATOM 945 C LEU A 83 6.566 -26.352 -34.017 1.00 50.19 C ATOM 946 O LEU A 83 6.721 -27.553 -34.291 1.00 51.66 O ATOM 947 CB LEU A 83 6.803 -25.359 -31.651 1.00 49.10 C ATOM 948 CG LEU A 83 7.657 -24.959 -30.428 1.00 50.25 C ATOM 949 CD1 LEU A 83 6.820 -24.255 -29.348 1.00 38.62 C ATOM 950 CD2 LEU A 83 8.394 -26.139 -29.821 1.00 35.77 C ATOM 951 HA LEU A 83 8.330 -26.324 -32.770 1.00 0.00 H ATOM 952 HB2 LEU A 83 6.096 -24.548 -31.826 1.00 0.00 H ATOM 953 HB3 LEU A 83 6.258 -26.263 -31.379 1.00 0.00 H ATOM 954 HG LEU A 83 8.400 -24.257 -30.805 1.00 0.00 H ATOM 955 HD21 LEU A 83 7.672 -26.888 -29.496 1.00 0.00 H ATOM 956 HD22 LEU A 83 9.059 -26.573 -30.567 1.00 0.00 H ATOM 957 HD23 LEU A 83 8.978 -25.800 -28.965 1.00 0.00 H ATOM 958 HD11 LEU A 83 6.377 -23.351 -29.765 1.00 0.00 H ATOM 959 HD12 LEU A 83 6.030 -24.925 -29.008 1.00 0.00 H ATOM 960 HD13 LEU A 83 7.462 -23.992 -28.507 1.00 0.00 H ATOM 961 H LEU A 83 7.850 -23.481 -33.181 1.00 0.00 H ATOM 962 N GLU A 84 5.642 -25.580 -34.606 1.00 51.99 N ATOM 963 CA GLU A 84 4.640 -26.069 -35.592 1.00 50.86 C ATOM 964 C GLU A 84 5.207 -26.815 -36.808 1.00 58.32 C ATOM 965 O GLU A 84 4.532 -27.679 -37.380 1.00 65.17 O ATOM 966 CB GLU A 84 3.801 -24.900 -36.125 1.00 44.90 C ATOM 967 CG GLU A 84 2.760 -24.395 -35.138 1.00 39.28 C ATOM 968 CD GLU A 84 2.000 -23.170 -35.636 1.00 60.53 C ATOM 969 OE1 GLU A 84 2.257 -22.708 -36.774 1.00 54.34 O ATOM 970 OE2 GLU A 84 1.145 -22.661 -34.868 1.00 65.18 O ATOM 971 HA GLU A 84 4.050 -26.788 -35.024 1.00 0.00 H ATOM 972 HB2 GLU A 84 4.473 -24.077 -36.369 1.00 0.00 H ATOM 973 HB3 GLU A 84 3.288 -25.228 -37.029 1.00 0.00 H ATOM 974 HG2 GLU A 84 2.043 -25.195 -34.951 1.00 0.00 H ATOM 975 HG3 GLU A 84 3.263 -24.135 -34.207 1.00 0.00 H ATOM 976 H GLU A 84 5.624 -24.570 -34.357 1.00 0.00 H ATOM 977 N ASN A 85 6.420 -26.441 -37.210 1.00 59.31 N ATOM 978 CA ASN A 85 7.081 -26.989 -38.380 1.00 57.20 C ATOM 979 C ASN A 85 8.339 -27.781 -37.996 1.00 54.91 C ATOM 980 O ASN A 85 9.225 -27.966 -38.811 1.00 56.93 O ATOM 981 CB ASN A 85 7.394 -25.844 -39.338 1.00 57.28 C ATOM 982 CG ASN A 85 6.163 -25.393 -40.118 1.00 70.73 C ATOM 983 OD1 ASN A 85 5.764 -26.038 -41.095 1.00 86.60 O ATOM 984 ND2 ASN A 85 5.549 -24.299 -39.686 1.00 60.49 N ATOM 985 HA ASN A 85 6.421 -27.700 -38.877 1.00 0.00 H ATOM 986 HB2 ASN A 85 7.775 -25.000 -38.764 1.00 0.00 H ATOM 987 HB3 ASN A 85 8.156 -26.175 -40.044 1.00 0.00 H ATOM 988 HD22 ASN A 85 5.919 -23.787 -38.860 1.00 0.00 H ATOM 989 HD21 ASN A 85 4.698 -23.954 -40.174 1.00 0.00 H ATOM 990 H ASN A 85 6.921 -25.717 -36.656 1.00 0.00 H ATOM 991 N LYS A 86 8.355 -28.248 -36.744 1.00 61.01 N ATOM 992 CA LYS A 86 9.400 -29.091 -36.124 1.00 64.75 C ATOM 993 C LYS A 86 10.847 -28.732 -36.470 1.00 70.48 C ATOM 994 O LYS A 86 11.661 -29.584 -36.836 1.00 70.81 O ATOM 995 CB LYS A 86 9.119 -30.583 -36.358 1.00 68.39 C ATOM 996 CG LYS A 86 9.424 -31.466 -35.136 1.00 74.20 C ATOM 997 HA LYS A 86 9.325 -28.869 -35.060 1.00 0.00 H ATOM 998 HB2 LYS A 86 8.066 -30.700 -36.614 1.00 0.00 H ATOM 999 HB3 LYS A 86 9.734 -30.923 -37.191 1.00 0.00 H ATOM 1000 HG2 LYS A 86 10.478 -31.370 -34.874 1.00 0.00 H ATOM 1001 HG3 LYS A 86 8.808 -31.146 -34.295 1.00 0.00 H ATOM 1002 H LYS A 86 7.547 -27.991 -36.142 1.00 0.00 H ATOM 1003 N TYR A 87 11.159 -27.452 -36.295 1.00 68.92 N ATOM 1004 CA TYR A 87 12.499 -26.925 -36.505 1.00 67.16 C ATOM 1005 C TYR A 87 13.478 -27.458 -35.466 1.00 68.69 C ATOM 1006 O TYR A 87 14.668 -27.610 -35.753 1.00 72.89 O ATOM 1007 CB TYR A 87 12.449 -25.384 -36.443 1.00 70.43 C ATOM 1008 CG TYR A 87 13.787 -24.657 -36.460 1.00 62.09 C ATOM 1009 CD1 TYR A 87 14.571 -24.559 -35.309 1.00 54.11 C ATOM 1010 CD2 TYR A 87 14.247 -24.036 -37.622 1.00 64.25 C ATOM 1011 CE1 TYR A 87 15.791 -23.878 -35.323 1.00 59.48 C ATOM 1012 CE2 TYR A 87 15.468 -23.357 -37.650 1.00 58.41 C ATOM 1013 CZ TYR A 87 16.234 -23.282 -36.501 1.00 65.57 C ATOM 1014 OH TYR A 87 17.429 -22.596 -36.532 1.00 58.80 O ATOM 1015 HA TYR A 87 12.850 -27.249 -37.485 1.00 0.00 H ATOM 1016 HB3 TYR A 87 11.933 -25.106 -35.524 1.00 0.00 H ATOM 1017 HB2 TYR A 87 11.873 -25.037 -37.301 1.00 0.00 H ATOM 1018 HD2 TYR A 87 13.641 -24.082 -38.527 1.00 0.00 H ATOM 1019 HE2 TYR A 87 15.815 -22.889 -38.572 1.00 0.00 H ATOM 1020 HE1 TYR A 87 16.393 -23.814 -34.417 1.00 0.00 H ATOM 1021 HD1 TYR A 87 14.226 -25.021 -34.384 1.00 0.00 H ATOM 1022 HH TYR A 87 17.854 -22.635 -35.638 1.00 0.00 H ATOM 1023 H TYR A 87 10.410 -26.796 -35.994 1.00 0.00 H ATOM 1024 N TYR A 88 13.000 -27.715 -34.251 1.00 68.42 N ATOM 1025 CA TYR A 88 13.919 -27.979 -33.151 1.00 67.47 C ATOM 1026 C TYR A 88 14.237 -29.446 -33.054 1.00 68.68 C ATOM 1027 O TYR A 88 13.372 -30.307 -33.235 1.00 67.55 O ATOM 1028 CB TYR A 88 13.382 -27.507 -31.795 1.00 67.04 C ATOM 1029 CG TYR A 88 13.148 -26.023 -31.666 1.00 60.64 C ATOM 1030 CD1 TYR A 88 14.206 -25.120 -31.687 1.00 50.72 C ATOM 1031 CD2 TYR A 88 11.860 -25.522 -31.486 1.00 59.54 C ATOM 1032 CE1 TYR A 88 13.975 -23.753 -31.558 1.00 56.21 C ATOM 1033 CE2 TYR A 88 11.629 -24.173 -31.351 1.00 37.12 C ATOM 1034 CZ TYR A 88 12.679 -23.291 -31.391 1.00 50.12 C ATOM 1035 OH TYR A 88 12.419 -21.943 -31.276 1.00 37.84 O ATOM 1036 HA TYR A 88 14.820 -27.410 -33.379 1.00 0.00 H ATOM 1037 HB3 TYR A 88 14.100 -27.801 -31.029 1.00 0.00 H ATOM 1038 HB2 TYR A 88 12.433 -28.013 -31.615 1.00 0.00 H ATOM 1039 HD2 TYR A 88 11.018 -26.214 -31.452 1.00 0.00 H ATOM 1040 HE2 TYR A 88 10.612 -23.805 -31.212 1.00 0.00 H ATOM 1041 HE1 TYR A 88 14.808 -23.051 -31.588 1.00 0.00 H ATOM 1042 HD1 TYR A 88 15.226 -25.486 -31.806 1.00 0.00 H ATOM 1043 HH TYR A 88 13.270 -21.439 -31.323 1.00 0.00 H ATOM 1044 H TYR A 88 11.973 -27.727 -34.087 1.00 0.00 H ATOM 1045 N ALA A 89 15.499 -29.694 -32.724 1.00 76.26 N ATOM 1046 CA ALA A 89 16.026 -31.023 -32.481 1.00 78.18 C ATOM 1047 C ALA A 89 15.977 -31.362 -30.994 1.00 72.43 C ATOM 1048 O ALA A 89 16.070 -32.519 -30.636 1.00 74.97 O ATOM 1049 CB ALA A 89 17.463 -31.112 -33.002 1.00 78.16 C ATOM 1050 HA ALA A 89 15.408 -31.747 -33.012 1.00 0.00 H ATOM 1051 HB1 ALA A 89 17.473 -30.909 -34.073 1.00 0.00 H ATOM 1052 HB2 ALA A 89 18.081 -30.378 -32.486 1.00 0.00 H ATOM 1053 HB3 ALA A 89 17.854 -32.112 -32.817 1.00 0.00 H ATOM 1054 H ALA A 89 16.149 -28.887 -32.634 1.00 0.00 H ATOM 1055 N LYS A 90 15.826 -30.372 -30.125 1.00 68.63 N ATOM 1056 CA LYS A 90 15.847 -30.636 -28.672 1.00 70.55 C ATOM 1057 C LYS A 90 15.204 -29.511 -27.836 1.00 69.57 C ATOM 1058 O LYS A 90 15.255 -28.338 -28.214 1.00 64.38 O ATOM 1059 CB LYS A 90 17.294 -30.859 -28.204 1.00 68.86 C ATOM 1060 CG LYS A 90 17.429 -31.766 -26.983 1.00 75.65 C ATOM 1061 CD LYS A 90 17.181 -33.255 -27.333 1.00 77.73 C ATOM 1062 HA LYS A 90 15.248 -31.532 -28.511 1.00 0.00 H ATOM 1063 HB2 LYS A 90 17.853 -31.307 -29.025 1.00 0.00 H ATOM 1064 HB3 LYS A 90 17.726 -29.889 -27.958 1.00 0.00 H ATOM 1065 HG2 LYS A 90 18.436 -31.663 -26.578 1.00 0.00 H ATOM 1066 HG3 LYS A 90 16.703 -31.455 -26.232 1.00 0.00 H ATOM 1067 HD2 LYS A 90 16.173 -33.370 -27.733 1.00 0.00 H ATOM 1068 HD3 LYS A 90 17.908 -33.578 -28.078 1.00 0.00 H ATOM 1069 H LYS A 90 15.691 -29.400 -30.470 1.00 0.00 H ATOM 1070 N ALA A 91 14.625 -29.872 -26.689 1.00 74.08 N ATOM 1071 CA ALA A 91 13.993 -28.884 -25.793 1.00 71.28 C ATOM 1072 C ALA A 91 14.931 -27.707 -25.464 1.00 68.58 C ATOM 1073 O ALA A 91 14.505 -26.549 -25.508 1.00 63.21 O ATOM 1074 CB ALA A 91 13.504 -29.543 -24.517 1.00 67.34 C ATOM 1075 HA ALA A 91 13.136 -28.477 -26.330 1.00 0.00 H ATOM 1076 HB1 ALA A 91 12.771 -30.311 -24.764 1.00 0.00 H ATOM 1077 HB2 ALA A 91 14.348 -29.998 -23.998 1.00 0.00 H ATOM 1078 HB3 ALA A 91 13.043 -28.792 -23.875 1.00 0.00 H ATOM 1079 H ALA A 91 14.619 -30.876 -26.419 1.00 0.00 H ATOM 1080 N SER A 92 16.197 -28.016 -25.163 1.00 63.33 N ATOM 1081 CA SER A 92 17.233 -27.012 -24.871 1.00 62.22 C ATOM 1082 C SER A 92 17.287 -25.869 -25.884 1.00 53.54 C ATOM 1083 O SER A 92 17.599 -24.733 -25.535 1.00 39.58 O ATOM 1084 CB SER A 92 18.634 -27.663 -24.854 1.00 67.48 C ATOM 1085 OG SER A 92 18.684 -28.782 -23.980 1.00 92.16 O ATOM 1086 HA SER A 92 16.960 -26.605 -23.897 1.00 0.00 H ATOM 1087 HB2 SER A 92 19.363 -26.923 -24.523 1.00 0.00 H ATOM 1088 HB3 SER A 92 18.883 -27.991 -25.863 1.00 0.00 H ATOM 1089 HG SER A 92 19.594 -29.171 -23.996 1.00 0.00 H ATOM 1090 H SER A 92 16.464 -29.021 -25.134 1.00 0.00 H ATOM 1091 N GLU A 93 17.036 -26.197 -27.145 1.00 46.43 N ATOM 1092 CA GLU A 93 17.261 -25.274 -28.230 1.00 52.01 C ATOM 1093 C GLU A 93 16.077 -24.321 -28.350 1.00 53.27 C ATOM 1094 O GLU A 93 16.209 -23.199 -28.831 1.00 50.29 O ATOM 1095 CB GLU A 93 17.454 -26.091 -29.497 1.00 59.47 C ATOM 1096 CG GLU A 93 17.978 -25.356 -30.714 1.00 74.40 C ATOM 1097 CD GLU A 93 18.063 -26.276 -31.931 1.00 82.03 C ATOM 1098 OE1 GLU A 93 17.990 -27.516 -31.737 1.00 66.49 O ATOM 1099 OE2 GLU A 93 18.196 -25.760 -33.068 1.00 97.89 O ATOM 1100 HA GLU A 93 18.148 -24.666 -28.054 1.00 0.00 H ATOM 1101 HB2 GLU A 93 18.156 -26.893 -29.268 1.00 0.00 H ATOM 1102 HB3 GLU A 93 16.488 -26.521 -29.762 1.00 0.00 H ATOM 1103 HG2 GLU A 93 17.309 -24.527 -30.943 1.00 0.00 H ATOM 1104 HG3 GLU A 93 18.972 -24.968 -30.493 1.00 0.00 H ATOM 1105 H GLU A 93 16.667 -27.146 -27.357 1.00 0.00 H ATOM 1106 N CYS A 94 14.911 -24.790 -27.922 1.00 53.88 N ATOM 1107 CA CYS A 94 13.735 -23.962 -27.870 1.00 49.59 C ATOM 1108 C CYS A 94 13.853 -23.011 -26.679 1.00 43.51 C ATOM 1109 O CYS A 94 13.489 -21.841 -26.796 1.00 41.21 O ATOM 1110 CB CYS A 94 12.482 -24.822 -27.770 1.00 55.14 C ATOM 1111 SG CYS A 94 10.967 -23.864 -27.644 1.00 48.19 S ATOM 1112 HA CYS A 94 13.654 -23.376 -28.785 1.00 0.00 H ATOM 1113 HB2 CYS A 94 12.566 -25.454 -26.886 1.00 0.00 H ATOM 1114 HB3 CYS A 94 12.421 -25.449 -28.659 1.00 0.00 H ATOM 1115 HG CYS A 94 9.889 -24.721 -27.558 1.00 0.00 H ATOM 1116 H CYS A 94 14.846 -25.782 -27.616 1.00 0.00 H ATOM 1117 N ILE A 95 14.397 -23.502 -25.562 1.00 38.10 N ATOM 1118 CA ILE A 95 14.591 -22.687 -24.370 1.00 35.19 C ATOM 1119 C ILE A 95 15.555 -21.528 -24.685 1.00 41.66 C ATOM 1120 O ILE A 95 15.306 -20.392 -24.329 1.00 36.04 O ATOM 1121 CB ILE A 95 15.021 -23.563 -23.151 1.00 40.23 C ATOM 1122 CG1 ILE A 95 13.818 -24.370 -22.642 1.00 51.17 C ATOM 1123 CG2 ILE A 95 15.594 -22.714 -21.960 1.00 29.26 C ATOM 1124 CD1 ILE A 95 14.170 -25.525 -21.696 1.00 43.04 C ATOM 1125 HA ILE A 95 13.645 -22.234 -24.072 1.00 0.00 H ATOM 1126 HB ILE A 95 15.815 -24.221 -23.504 1.00 0.00 H ATOM 1127 HG12 ILE A 95 13.152 -23.689 -22.112 1.00 0.00 H ATOM 1128 HG13 ILE A 95 13.298 -24.785 -23.506 1.00 0.00 H ATOM 1129 HD11 ILE A 95 14.825 -26.228 -22.211 1.00 0.00 H ATOM 1130 HD12 ILE A 95 14.679 -25.130 -20.816 1.00 0.00 H ATOM 1131 HD13 ILE A 95 13.256 -26.034 -21.391 1.00 0.00 H ATOM 1132 HG21 ILE A 95 16.471 -22.161 -22.298 1.00 0.00 H ATOM 1133 HG22 ILE A 95 14.833 -22.014 -21.615 1.00 0.00 H ATOM 1134 HG23 ILE A 95 15.875 -23.379 -21.143 1.00 0.00 H ATOM 1135 H ILE A 95 14.692 -24.499 -25.543 1.00 0.00 H ATOM 1136 N GLU A 96 16.609 -21.792 -25.439 1.00 42.92 N ATOM 1137 CA GLU A 96 17.582 -20.745 -25.754 1.00 38.55 C ATOM 1138 C GLU A 96 17.003 -19.606 -26.629 1.00 31.18 C ATOM 1139 O GLU A 96 17.403 -18.442 -26.498 1.00 39.62 O ATOM 1140 CB GLU A 96 18.856 -21.422 -26.286 1.00 43.20 C ATOM 1141 CG GLU A 96 19.525 -20.868 -27.523 1.00 62.34 C ATOM 1142 CD GLU A 96 20.585 -21.830 -28.066 1.00 74.93 C ATOM 1143 OE1 GLU A 96 20.896 -22.849 -27.390 1.00 69.11 O ATOM 1144 OE2 GLU A 96 21.105 -21.564 -29.168 1.00 88.93 O ATOM 1145 HA GLU A 96 17.855 -20.200 -24.851 1.00 0.00 H ATOM 1146 HB2 GLU A 96 19.593 -21.389 -25.484 1.00 0.00 H ATOM 1147 HB3 GLU A 96 18.600 -22.460 -26.500 1.00 0.00 H ATOM 1148 HG2 GLU A 96 18.769 -20.703 -28.291 1.00 0.00 H ATOM 1149 HG3 GLU A 96 20.001 -19.920 -27.274 1.00 0.00 H ATOM 1150 H GLU A 96 16.748 -22.753 -25.812 1.00 0.00 H ATOM 1151 N ASP A 97 16.021 -19.927 -27.465 1.00 30.08 N ATOM 1152 CA ASP A 97 15.292 -18.919 -28.219 1.00 29.84 C ATOM 1153 C ASP A 97 14.460 -18.020 -27.310 1.00 32.22 C ATOM 1154 O ASP A 97 14.455 -16.794 -27.479 1.00 31.59 O ATOM 1155 CB ASP A 97 14.423 -19.554 -29.291 1.00 32.55 C ATOM 1156 CG ASP A 97 15.209 -19.899 -30.556 1.00 43.41 C ATOM 1157 OD1 ASP A 97 16.418 -19.574 -30.642 1.00 35.24 O ATOM 1158 OD2 ASP A 97 14.596 -20.494 -31.463 1.00 38.29 O ATOM 1159 HA ASP A 97 16.034 -18.291 -28.711 1.00 0.00 H ATOM 1160 HB2 ASP A 97 13.986 -20.469 -28.890 1.00 0.00 H ATOM 1161 HB3 ASP A 97 13.627 -18.857 -29.553 1.00 0.00 H ATOM 1162 H ASP A 97 15.766 -20.928 -27.584 1.00 0.00 H ATOM 1163 N PHE A 98 13.790 -18.606 -26.320 1.00 31.95 N ATOM 1164 CA PHE A 98 13.084 -17.789 -25.341 1.00 30.38 C ATOM 1165 C PHE A 98 14.049 -16.845 -24.670 1.00 26.57 C ATOM 1166 O PHE A 98 13.773 -15.664 -24.523 1.00 28.91 O ATOM 1167 CB PHE A 98 12.395 -18.636 -24.278 1.00 33.53 C ATOM 1168 CG PHE A 98 11.055 -19.200 -24.700 1.00 22.42 C ATOM 1169 CD1 PHE A 98 10.940 -20.517 -25.158 1.00 36.88 C ATOM 1170 CD2 PHE A 98 9.903 -18.425 -24.596 1.00 38.80 C ATOM 1171 CE1 PHE A 98 9.701 -21.054 -25.522 1.00 31.91 C ATOM 1172 CE2 PHE A 98 8.662 -18.949 -24.943 1.00 30.11 C ATOM 1173 CZ PHE A 98 8.549 -20.269 -25.400 1.00 34.07 C ATOM 1174 HA PHE A 98 12.317 -17.230 -25.878 1.00 0.00 H ATOM 1175 HB2 PHE A 98 13.052 -19.469 -24.027 1.00 0.00 H ATOM 1176 HB3 PHE A 98 12.242 -18.016 -23.395 1.00 0.00 H ATOM 1177 HD2 PHE A 98 9.974 -17.398 -24.239 1.00 0.00 H ATOM 1178 HE2 PHE A 98 7.770 -18.328 -24.859 1.00 0.00 H ATOM 1179 HZ PHE A 98 7.573 -20.680 -25.658 1.00 0.00 H ATOM 1180 HE1 PHE A 98 9.633 -22.075 -25.897 1.00 0.00 H ATOM 1181 HD1 PHE A 98 11.834 -21.137 -25.233 1.00 0.00 H ATOM 1182 H PHE A 98 13.770 -19.643 -26.245 1.00 0.00 H ATOM 1183 N ASN A 99 15.180 -17.366 -24.241 1.00 30.01 N ATOM 1184 CA ASN A 99 16.184 -16.550 -23.558 1.00 27.78 C ATOM 1185 C ASN A 99 16.797 -15.460 -24.402 1.00 29.89 C ATOM 1186 O ASN A 99 17.149 -14.419 -23.889 1.00 35.57 O ATOM 1187 CB ASN A 99 17.296 -17.448 -23.010 1.00 37.47 C ATOM 1188 CG ASN A 99 16.856 -18.227 -21.729 1.00 40.88 C ATOM 1189 OD1 ASN A 99 16.049 -17.746 -20.920 1.00 44.38 O ATOM 1190 ND2 ASN A 99 17.402 -19.423 -21.557 1.00 52.67 N ATOM 1191 HA ASN A 99 15.648 -16.043 -22.756 1.00 0.00 H ATOM 1192 HB2 ASN A 99 17.576 -18.168 -23.779 1.00 0.00 H ATOM 1193 HB3 ASN A 99 18.158 -16.828 -22.764 1.00 0.00 H ATOM 1194 HD22 ASN A 99 18.075 -19.793 -22.258 1.00 0.00 H ATOM 1195 HD21 ASN A 99 17.157 -19.991 -20.721 1.00 0.00 H ATOM 1196 H ASN A 99 15.363 -18.379 -24.391 1.00 0.00 H ATOM 1197 N THR A 100 16.906 -15.700 -25.706 1.00 29.01 N ATOM 1198 CA THR A 100 17.413 -14.706 -26.619 1.00 27.11 C ATOM 1199 C THR A 100 16.369 -13.625 -26.743 1.00 25.43 C ATOM 1200 O THR A 100 16.662 -12.407 -26.794 1.00 21.09 O ATOM 1201 CB THR A 100 17.682 -15.349 -28.001 1.00 32.29 C ATOM 1202 OG1 THR A 100 18.717 -16.319 -27.862 1.00 32.97 O ATOM 1203 CG2 THR A 100 18.135 -14.327 -29.016 1.00 21.60 C ATOM 1204 HA THR A 100 18.350 -14.288 -26.251 1.00 0.00 H ATOM 1205 HB THR A 100 16.752 -15.798 -28.348 1.00 0.00 H ATOM 1206 HG1 THR A 100 18.897 -16.736 -28.741 1.00 0.00 H ATOM 1207 HG23 THR A 100 17.359 -13.572 -29.141 1.00 0.00 H ATOM 1208 HG21 THR A 100 19.052 -13.853 -28.668 1.00 0.00 H ATOM 1209 HG22 THR A 100 18.320 -14.821 -29.970 1.00 0.00 H ATOM 1210 H THR A 100 16.618 -16.628 -26.076 1.00 0.00 H ATOM 1211 N MET A 101 15.120 -14.050 -26.759 1.00 27.46 N ATOM 1212 CA MET A 101 14.072 -13.059 -26.879 1.00 21.06 C ATOM 1213 C MET A 101 14.222 -12.080 -25.705 1.00 23.81 C ATOM 1214 O MET A 101 14.197 -10.894 -25.903 1.00 23.83 O ATOM 1215 CB MET A 101 12.710 -13.717 -26.920 1.00 22.58 C ATOM 1216 CG MET A 101 11.531 -12.732 -27.033 1.00 31.35 C ATOM 1217 SD MET A 101 10.027 -13.647 -27.032 1.00 25.12 S ATOM 1218 CE MET A 101 9.867 -13.954 -25.267 1.00 24.23 C ATOM 1219 HA MET A 101 14.161 -12.508 -27.815 1.00 0.00 H ATOM 1220 HB2 MET A 101 12.680 -14.386 -27.780 1.00 0.00 H ATOM 1221 HB3 MET A 101 12.584 -14.297 -26.006 1.00 0.00 H ATOM 1222 HG2 MET A 101 11.615 -12.165 -27.960 1.00 0.00 H ATOM 1223 HG3 MET A 101 11.544 -12.046 -26.186 1.00 0.00 H ATOM 1224 HE1 MET A 101 10.733 -14.516 -24.917 1.00 0.00 H ATOM 1225 HE2 MET A 101 9.812 -13.003 -24.738 1.00 0.00 H ATOM 1226 HE3 MET A 101 8.960 -14.528 -25.080 1.00 0.00 H ATOM 1227 H MET A 101 14.896 -15.063 -26.688 1.00 0.00 H ATOM 1228 N PHE A 102 14.386 -12.579 -24.490 1.00 22.60 N ATOM 1229 CA PHE A 102 14.423 -11.692 -23.337 1.00 26.07 C ATOM 1230 C PHE A 102 15.727 -10.872 -23.321 1.00 14.98 C ATOM 1231 O PHE A 102 15.700 -9.668 -23.141 1.00 24.69 O ATOM 1232 CB PHE A 102 14.303 -12.469 -22.054 1.00 22.65 C ATOM 1233 CG PHE A 102 13.006 -13.198 -21.887 1.00 31.10 C ATOM 1234 CD1 PHE A 102 11.794 -12.529 -21.943 1.00 26.28 C ATOM 1235 CD2 PHE A 102 12.998 -14.538 -21.598 1.00 31.91 C ATOM 1236 CE1 PHE A 102 10.597 -13.199 -21.772 1.00 29.61 C ATOM 1237 CE2 PHE A 102 11.785 -15.220 -21.408 1.00 28.54 C ATOM 1238 CZ PHE A 102 10.602 -14.556 -21.515 1.00 26.08 C ATOM 1239 HA PHE A 102 13.575 -11.013 -23.418 1.00 0.00 H ATOM 1240 HB2 PHE A 102 15.111 -13.200 -22.022 1.00 0.00 H ATOM 1241 HB3 PHE A 102 14.412 -11.772 -21.223 1.00 0.00 H ATOM 1242 HD2 PHE A 102 13.941 -15.079 -21.515 1.00 0.00 H ATOM 1243 HE2 PHE A 102 11.791 -16.285 -21.174 1.00 0.00 H ATOM 1244 HZ PHE A 102 9.661 -15.094 -21.398 1.00 0.00 H ATOM 1245 HE1 PHE A 102 9.653 -12.658 -21.840 1.00 0.00 H ATOM 1246 HD1 PHE A 102 11.784 -11.454 -22.125 1.00 0.00 H ATOM 1247 H PHE A 102 14.488 -13.606 -24.359 1.00 0.00 H ATOM 1248 N SER A 103 16.855 -11.521 -23.572 1.00 26.49 N ATOM 1249 CA SER A 103 18.139 -10.854 -23.563 1.00 20.65 C ATOM 1250 C SER A 103 18.234 -9.789 -24.650 1.00 20.22 C ATOM 1251 O SER A 103 18.812 -8.710 -24.444 1.00 25.57 O ATOM 1252 CB SER A 103 19.290 -11.862 -23.640 1.00 29.11 C ATOM 1253 OG SER A 103 19.655 -12.152 -24.952 1.00 45.75 O ATOM 1254 HA SER A 103 18.230 -10.333 -22.610 1.00 0.00 H ATOM 1255 HB2 SER A 103 18.980 -12.785 -23.150 1.00 0.00 H ATOM 1256 HB3 SER A 103 20.154 -11.448 -23.119 1.00 0.00 H ATOM 1257 HG SER A 103 19.945 -11.320 -25.404 1.00 0.00 H ATOM 1258 H SER A 103 16.816 -12.539 -23.781 1.00 0.00 H ATOM 1259 N ASN A 104 17.610 -10.037 -25.798 1.00 25.24 N ATOM 1260 CA ASN A 104 17.470 -8.969 -26.803 1.00 21.66 C ATOM 1261 C ASN A 104 16.786 -7.743 -26.249 1.00 21.46 C ATOM 1262 O ASN A 104 17.171 -6.626 -26.529 1.00 23.98 O ATOM 1263 CB ASN A 104 16.652 -9.436 -28.003 1.00 20.42 C ATOM 1264 CG ASN A 104 17.417 -10.382 -28.907 1.00 22.50 C ATOM 1265 OD1 ASN A 104 18.649 -10.466 -28.867 1.00 27.56 O ATOM 1266 ND2 ASN A 104 16.676 -11.100 -29.753 1.00 24.79 N ATOM 1267 HA ASN A 104 18.488 -8.720 -27.102 1.00 0.00 H ATOM 1268 HB2 ASN A 104 15.761 -9.947 -27.639 1.00 0.00 H ATOM 1269 HB3 ASN A 104 16.356 -8.562 -28.584 1.00 0.00 H ATOM 1270 HD22 ASN A 104 15.641 -10.998 -29.753 1.00 0.00 H ATOM 1271 HD21 ASN A 104 17.133 -11.762 -30.412 1.00 0.00 H ATOM 1272 H ASN A 104 17.222 -10.983 -25.986 1.00 0.00 H ATOM 1273 N CYS A 105 15.709 -7.944 -25.507 1.00 23.76 N ATOM 1274 CA CYS A 105 15.004 -6.793 -24.932 1.00 19.92 C ATOM 1275 C CYS A 105 15.940 -5.960 -23.987 1.00 20.73 C ATOM 1276 O CYS A 105 15.969 -4.714 -24.016 1.00 20.89 O ATOM 1277 CB CYS A 105 13.818 -7.326 -24.169 1.00 20.93 C ATOM 1278 SG CYS A 105 12.701 -6.114 -23.720 1.00 23.54 S ATOM 1279 HA CYS A 105 14.682 -6.120 -25.726 1.00 0.00 H ATOM 1280 HB2 CYS A 105 14.180 -7.815 -23.265 1.00 0.00 H ATOM 1281 HB3 CYS A 105 13.304 -8.056 -24.794 1.00 0.00 H ATOM 1282 HG CYS A 105 11.654 -6.689 -23.030 1.00 0.00 H ATOM 1283 H CYS A 105 15.365 -8.910 -25.333 1.00 0.00 H ATOM 1284 N TYR A 106 16.672 -6.675 -23.142 1.00 22.35 N ATOM 1285 CA TYR A 106 17.553 -6.078 -22.120 1.00 24.71 C ATOM 1286 C TYR A 106 18.728 -5.355 -22.756 1.00 23.42 C ATOM 1287 O TYR A 106 19.027 -4.243 -22.370 1.00 30.83 O ATOM 1288 CB TYR A 106 18.094 -7.152 -21.158 1.00 25.80 C ATOM 1289 CG TYR A 106 16.980 -7.952 -20.442 1.00 25.97 C ATOM 1290 CD1 TYR A 106 15.737 -7.380 -20.151 1.00 27.13 C ATOM 1291 CD2 TYR A 106 17.192 -9.260 -20.047 1.00 31.69 C ATOM 1292 CE1 TYR A 106 14.745 -8.118 -19.547 1.00 23.00 C ATOM 1293 CE2 TYR A 106 16.210 -9.994 -19.427 1.00 29.29 C ATOM 1294 CZ TYR A 106 15.001 -9.415 -19.168 1.00 29.91 C ATOM 1295 OH TYR A 106 14.048 -10.143 -18.545 1.00 31.09 O ATOM 1296 HA TYR A 106 16.949 -5.362 -21.563 1.00 0.00 H ATOM 1297 HB3 TYR A 106 18.708 -6.662 -20.402 1.00 0.00 H ATOM 1298 HB2 TYR A 106 18.709 -7.849 -21.728 1.00 0.00 H ATOM 1299 HD2 TYR A 106 18.163 -9.720 -20.232 1.00 0.00 H ATOM 1300 HE2 TYR A 106 16.395 -11.030 -19.144 1.00 0.00 H ATOM 1301 HE1 TYR A 106 13.764 -7.678 -19.370 1.00 0.00 H ATOM 1302 HD1 TYR A 106 15.552 -6.337 -20.406 1.00 0.00 H ATOM 1303 HH TYR A 106 14.382 -10.432 -17.659 1.00 0.00 H ATOM 1304 H TYR A 106 16.622 -7.712 -23.203 1.00 0.00 H ATOM 1305 N LEU A 107 19.343 -5.968 -23.757 1.00 22.44 N ATOM 1306 CA LEU A 107 20.349 -5.295 -24.570 1.00 20.98 C ATOM 1307 C LEU A 107 19.872 -4.043 -25.272 1.00 24.25 C ATOM 1308 O LEU A 107 20.565 -3.065 -25.221 1.00 28.09 O ATOM 1309 CB LEU A 107 20.974 -6.254 -25.624 1.00 23.25 C ATOM 1310 CG LEU A 107 22.071 -5.544 -26.464 1.00 34.32 C ATOM 1311 CD1 LEU A 107 23.312 -5.025 -25.588 1.00 27.34 C ATOM 1312 CD2 LEU A 107 22.558 -6.392 -27.682 1.00 21.24 C ATOM 1313 HA LEU A 107 21.100 -4.984 -23.844 1.00 0.00 H ATOM 1314 HB2 LEU A 107 21.418 -7.105 -25.108 1.00 0.00 H ATOM 1315 HB3 LEU A 107 20.188 -6.606 -26.293 1.00 0.00 H ATOM 1316 HG LEU A 107 21.576 -4.659 -26.865 1.00 0.00 H ATOM 1317 HD21 LEU A 107 22.974 -7.334 -27.324 1.00 0.00 H ATOM 1318 HD22 LEU A 107 21.715 -6.594 -28.343 1.00 0.00 H ATOM 1319 HD23 LEU A 107 23.323 -5.838 -28.226 1.00 0.00 H ATOM 1320 HD11 LEU A 107 22.957 -4.312 -24.844 1.00 0.00 H ATOM 1321 HD12 LEU A 107 23.781 -5.872 -25.087 1.00 0.00 H ATOM 1322 HD13 LEU A 107 24.038 -4.540 -26.240 1.00 0.00 H ATOM 1323 H LEU A 107 19.101 -6.957 -23.969 1.00 0.00 H ATOM 1324 N TYR A 108 18.741 -4.070 -25.988 1.00 27.71 N ATOM 1325 CA TYR A 108 18.325 -2.868 -26.763 1.00 23.90 C ATOM 1326 C TYR A 108 17.814 -1.698 -25.887 1.00 25.36 C ATOM 1327 O TYR A 108 18.082 -0.517 -26.167 1.00 22.83 O ATOM 1328 CB TYR A 108 17.278 -3.222 -27.845 1.00 23.97 C ATOM 1329 CG TYR A 108 16.945 -2.027 -28.730 1.00 18.75 C ATOM 1330 CD1 TYR A 108 15.824 -1.213 -28.498 1.00 27.12 C ATOM 1331 CD2 TYR A 108 17.786 -1.675 -29.741 1.00 21.99 C ATOM 1332 CE1 TYR A 108 15.580 -0.126 -29.285 1.00 19.60 C ATOM 1333 CE2 TYR A 108 17.556 -0.604 -30.510 1.00 14.46 C ATOM 1334 CZ TYR A 108 16.481 0.176 -30.302 1.00 24.13 C ATOM 1335 OH TYR A 108 16.353 1.202 -31.199 1.00 23.88 O ATOM 1336 HA TYR A 108 19.236 -2.517 -27.247 1.00 0.00 H ATOM 1337 HB3 TYR A 108 16.366 -3.562 -27.355 1.00 0.00 H ATOM 1338 HB2 TYR A 108 17.674 -4.023 -28.469 1.00 0.00 H ATOM 1339 HD2 TYR A 108 18.671 -2.282 -29.929 1.00 0.00 H ATOM 1340 HE2 TYR A 108 18.249 -0.361 -31.315 1.00 0.00 H ATOM 1341 HE1 TYR A 108 14.698 0.493 -29.121 1.00 0.00 H ATOM 1342 HD1 TYR A 108 15.143 -1.452 -27.681 1.00 0.00 H ATOM 1343 HH TYR A 108 16.272 0.831 -32.113 1.00 0.00 H ATOM 1344 H TYR A 108 18.154 -4.928 -26.003 1.00 0.00 H ATOM 1345 N ASN A 109 17.091 -2.048 -24.828 1.00 24.19 N ATOM 1346 CA ASN A 109 16.427 -1.102 -23.935 1.00 22.75 C ATOM 1347 C ASN A 109 17.302 -0.801 -22.685 1.00 32.58 C ATOM 1348 O ASN A 109 18.478 -1.086 -22.730 1.00 29.45 O ATOM 1349 CB ASN A 109 15.063 -1.713 -23.599 1.00 22.23 C ATOM 1350 CG ASN A 109 14.182 -1.763 -24.804 1.00 23.71 C ATOM 1351 OD1 ASN A 109 13.738 -0.738 -25.232 1.00 26.23 O ATOM 1352 ND2 ASN A 109 14.033 -2.936 -25.432 1.00 15.48 N ATOM 1353 HA ASN A 109 16.282 -0.129 -24.405 1.00 0.00 H ATOM 1354 HB2 ASN A 109 15.210 -2.726 -23.223 1.00 0.00 H ATOM 1355 HB3 ASN A 109 14.581 -1.108 -22.831 1.00 0.00 H ATOM 1356 HD22 ASN A 109 14.437 -3.801 -25.020 1.00 0.00 H ATOM 1357 HD21 ASN A 109 13.513 -2.982 -26.331 1.00 0.00 H ATOM 1358 H ASN A 109 16.992 -3.062 -24.622 1.00 0.00 H ATOM 1359 N LYS A 110 16.735 -0.184 -21.635 1.00 35.58 N ATOM 1360 CA LYS A 110 17.445 0.347 -20.437 1.00 39.95 C ATOM 1361 C LYS A 110 16.764 -0.239 -19.228 1.00 41.58 C ATOM 1362 O LYS A 110 15.574 -0.515 -19.292 1.00 43.90 O ATOM 1363 CB LYS A 110 17.243 1.866 -20.273 1.00 44.95 C ATOM 1364 CG LYS A 110 17.663 2.757 -21.443 1.00 61.12 C ATOM 1365 CD LYS A 110 17.575 4.273 -21.110 1.00 60.03 C ATOM 1366 CE LYS A 110 16.180 4.881 -21.332 1.00 69.68 C ATOM 1367 NZ LYS A 110 15.836 5.153 -22.767 1.00 61.03 N ATOM 1368 HA LYS A 110 18.503 0.107 -20.542 1.00 0.00 H ATOM 1369 HB2 LYS A 110 16.182 2.039 -20.093 1.00 0.00 H ATOM 1370 HB3 LYS A 110 17.814 2.181 -19.399 1.00 0.00 H ATOM 1371 HG2 LYS A 110 18.692 2.518 -21.710 1.00 0.00 H ATOM 1372 HG3 LYS A 110 17.011 2.548 -22.291 1.00 0.00 H ATOM 1373 HD2 LYS A 110 17.847 4.411 -20.064 1.00 0.00 H ATOM 1374 HD3 LYS A 110 18.286 4.805 -21.742 1.00 0.00 H ATOM 1375 HE2 LYS A 110 16.129 5.823 -20.786 1.00 0.00 H ATOM 1376 HE3 LYS A 110 15.440 4.189 -20.930 1.00 0.00 H ATOM 1377 HZ1 LYS A 110 16.524 5.823 -23.166 1.00 0.00 H ATOM 1378 HZ2 LYS A 110 15.866 4.263 -23.304 1.00 0.00 H ATOM 1379 HZ3 LYS A 110 14.881 5.561 -22.822 1.00 0.00 H ATOM 1380 H LYS A 110 15.702 -0.066 -21.661 1.00 0.00 H ATOM 1381 N PRO A 111 17.472 -0.365 -18.090 1.00 49.05 N ATOM 1382 CA PRO A 111 16.751 -0.694 -16.840 1.00 44.74 C ATOM 1383 C PRO A 111 15.680 0.345 -16.478 1.00 41.33 C ATOM 1384 O PRO A 111 15.835 1.554 -16.731 1.00 35.56 O ATOM 1385 CB PRO A 111 17.867 -0.737 -15.785 1.00 51.37 C ATOM 1386 CG PRO A 111 19.147 -0.967 -16.606 1.00 50.39 C ATOM 1387 CD PRO A 111 18.915 -0.175 -17.849 1.00 52.94 C ATOM 1388 HA PRO A 111 16.197 -1.629 -16.924 1.00 0.00 H ATOM 1389 HD3 PRO A 111 19.153 0.878 -17.695 1.00 0.00 H ATOM 1390 HD2 PRO A 111 19.507 -0.562 -18.678 1.00 0.00 H ATOM 1391 HG3 PRO A 111 19.277 -2.024 -16.837 1.00 0.00 H ATOM 1392 HG2 PRO A 111 20.024 -0.603 -16.070 1.00 0.00 H ATOM 1393 HB2 PRO A 111 17.921 0.205 -15.239 1.00 0.00 H ATOM 1394 HB3 PRO A 111 17.705 -1.554 -15.082 1.00 0.00 H ATOM 1395 N GLY A 112 14.565 -0.147 -15.965 1.00 46.31 N ATOM 1396 CA GLY A 112 13.469 0.717 -15.614 1.00 49.34 C ATOM 1397 C GLY A 112 12.569 1.113 -16.767 1.00 48.57 C ATOM 1398 O GLY A 112 11.580 1.834 -16.542 1.00 42.49 O ATOM 1399 HA3 GLY A 112 13.882 1.627 -15.179 1.00 0.00 H ATOM 1400 HA2 GLY A 112 12.859 0.205 -14.870 1.00 0.00 H ATOM 1401 H GLY A 112 14.479 -1.172 -15.813 1.00 0.00 H ATOM 1402 N ASP A 113 12.878 0.663 -17.991 1.00 34.73 N ATOM 1403 CA ASP A 113 11.946 0.879 -19.106 1.00 23.48 C ATOM 1404 C ASP A 113 10.718 -0.036 -18.949 1.00 23.62 C ATOM 1405 O ASP A 113 10.824 -1.238 -18.646 1.00 28.70 O ATOM 1406 CB ASP A 113 12.578 0.550 -20.471 1.00 23.96 C ATOM 1407 CG ASP A 113 13.511 1.620 -20.995 1.00 45.64 C ATOM 1408 OD1 ASP A 113 13.537 2.762 -20.467 1.00 51.90 O ATOM 1409 OD2 ASP A 113 14.213 1.296 -21.988 1.00 42.86 O ATOM 1410 HA ASP A 113 11.673 1.934 -19.078 1.00 0.00 H ATOM 1411 HB2 ASP A 113 13.142 -0.378 -20.373 1.00 0.00 H ATOM 1412 HB3 ASP A 113 11.775 0.411 -21.195 1.00 0.00 H ATOM 1413 H ASP A 113 13.775 0.162 -18.151 1.00 0.00 H ATOM 1414 N ASP A 114 9.544 0.503 -19.235 1.00 30.96 N ATOM 1415 CA ASP A 114 8.331 -0.313 -19.205 1.00 28.08 C ATOM 1416 C ASP A 114 8.546 -1.662 -19.920 1.00 21.51 C ATOM 1417 O ASP A 114 8.030 -2.704 -19.476 1.00 35.62 O ATOM 1418 CB ASP A 114 7.162 0.448 -19.890 1.00 29.28 C ATOM 1419 CG ASP A 114 6.811 1.794 -19.187 1.00 43.40 C ATOM 1420 OD1 ASP A 114 7.098 1.945 -17.983 1.00 37.36 O ATOM 1421 OD2 ASP A 114 6.205 2.685 -19.845 1.00 45.25 O ATOM 1422 HA ASP A 114 8.086 -0.508 -18.161 1.00 0.00 H ATOM 1423 HB2 ASP A 114 7.443 0.659 -20.922 1.00 0.00 H ATOM 1424 HB3 ASP A 114 6.278 -0.190 -19.878 1.00 0.00 H ATOM 1425 H ASP A 114 9.484 1.511 -19.482 1.00 0.00 H ATOM 1426 N ILE A 115 9.245 -1.659 -21.063 1.00 29.37 N ATOM 1427 CA ILE A 115 9.326 -2.894 -21.857 1.00 26.41 C ATOM 1428 C ILE A 115 10.189 -3.923 -21.092 1.00 29.62 C ATOM 1429 O ILE A 115 9.926 -5.137 -21.127 1.00 24.32 O ATOM 1430 CB ILE A 115 9.807 -2.640 -23.278 1.00 27.97 C ATOM 1431 CG1 ILE A 115 9.587 -3.892 -24.176 1.00 25.77 C ATOM 1432 CG2 ILE A 115 11.297 -2.191 -23.306 1.00 19.15 C ATOM 1433 CD1 ILE A 115 8.225 -4.378 -24.272 1.00 47.37 C ATOM 1434 HA ILE A 115 8.326 -3.310 -21.980 1.00 0.00 H ATOM 1435 HB ILE A 115 9.209 -1.823 -23.683 1.00 0.00 H ATOM 1436 HG12 ILE A 115 9.924 -3.643 -25.182 1.00 0.00 H ATOM 1437 HG13 ILE A 115 10.201 -4.700 -23.778 1.00 0.00 H ATOM 1438 HD11 ILE A 115 7.868 -4.652 -23.279 1.00 0.00 H ATOM 1439 HD12 ILE A 115 7.589 -3.595 -24.685 1.00 0.00 H ATOM 1440 HD13 ILE A 115 8.197 -5.251 -24.923 1.00 0.00 H ATOM 1441 HG21 ILE A 115 11.408 -1.270 -22.734 1.00 0.00 H ATOM 1442 HG22 ILE A 115 11.918 -2.971 -22.866 1.00 0.00 H ATOM 1443 HG23 ILE A 115 11.604 -2.019 -24.338 1.00 0.00 H ATOM 1444 H ILE A 115 9.724 -0.794 -21.385 1.00 0.00 H ATOM 1445 N VAL A 116 11.165 -3.411 -20.349 1.00 21.76 N ATOM 1446 CA VAL A 116 12.090 -4.248 -19.612 1.00 20.50 C ATOM 1447 C VAL A 116 11.314 -4.863 -18.399 1.00 27.36 C ATOM 1448 O VAL A 116 11.446 -6.065 -18.104 1.00 22.59 O ATOM 1449 CB VAL A 116 13.373 -3.463 -19.263 1.00 26.80 C ATOM 1450 CG1 VAL A 116 14.163 -4.138 -18.171 1.00 23.36 C ATOM 1451 CG2 VAL A 116 14.297 -3.263 -20.534 1.00 21.06 C ATOM 1452 HA VAL A 116 12.456 -5.085 -20.206 1.00 0.00 H ATOM 1453 HB VAL A 116 13.048 -2.486 -18.905 1.00 0.00 H ATOM 1454 HG11 VAL A 116 13.550 -4.210 -17.272 1.00 0.00 H ATOM 1455 HG12 VAL A 116 14.451 -5.137 -18.497 1.00 0.00 H ATOM 1456 HG13 VAL A 116 15.057 -3.553 -17.956 1.00 0.00 H ATOM 1457 HG21 VAL A 116 14.585 -4.237 -20.929 1.00 0.00 H ATOM 1458 HG22 VAL A 116 13.750 -2.708 -21.296 1.00 0.00 H ATOM 1459 HG23 VAL A 116 15.190 -2.707 -20.249 1.00 0.00 H ATOM 1460 H VAL A 116 11.268 -2.378 -20.295 1.00 0.00 H ATOM 1461 N LEU A 117 10.430 -4.104 -17.768 1.00 24.33 N ATOM 1462 CA LEU A 117 9.633 -4.701 -16.683 1.00 25.12 C ATOM 1463 C LEU A 117 8.716 -5.811 -17.228 1.00 25.70 C ATOM 1464 O LEU A 117 8.574 -6.884 -16.638 1.00 34.80 O ATOM 1465 CB LEU A 117 8.798 -3.631 -15.944 1.00 30.08 C ATOM 1466 CG LEU A 117 9.570 -2.445 -15.368 1.00 45.50 C ATOM 1467 CD1 LEU A 117 8.605 -1.462 -14.689 1.00 45.98 C ATOM 1468 CD2 LEU A 117 10.699 -2.911 -14.410 1.00 65.16 C ATOM 1469 HA LEU A 117 10.328 -5.141 -15.968 1.00 0.00 H ATOM 1470 HB2 LEU A 117 8.064 -3.239 -16.648 1.00 0.00 H ATOM 1471 HB3 LEU A 117 8.282 -4.123 -15.119 1.00 0.00 H ATOM 1472 HG LEU A 117 10.059 -1.920 -16.189 1.00 0.00 H ATOM 1473 HD21 LEU A 117 10.264 -3.474 -13.584 1.00 0.00 H ATOM 1474 HD22 LEU A 117 11.398 -3.546 -14.955 1.00 0.00 H ATOM 1475 HD23 LEU A 117 11.226 -2.040 -14.020 1.00 0.00 H ATOM 1476 HD11 LEU A 117 7.885 -1.097 -15.421 1.00 0.00 H ATOM 1477 HD12 LEU A 117 8.078 -1.971 -13.882 1.00 0.00 H ATOM 1478 HD13 LEU A 117 9.169 -0.622 -14.283 1.00 0.00 H ATOM 1479 H LEU A 117 10.302 -3.107 -18.034 1.00 0.00 H ATOM 1480 N MET A 118 8.067 -5.540 -18.346 1.00 27.49 N ATOM 1481 CA MET A 118 7.232 -6.556 -18.942 1.00 29.80 C ATOM 1482 C MET A 118 8.048 -7.846 -19.198 1.00 22.83 C ATOM 1483 O MET A 118 7.610 -8.955 -18.927 1.00 26.27 O ATOM 1484 CB MET A 118 6.608 -6.026 -20.244 1.00 22.57 C ATOM 1485 CG MET A 118 5.580 -4.886 -20.031 1.00 24.63 C ATOM 1486 SD MET A 118 5.154 -3.986 -21.547 1.00 29.25 S ATOM 1487 CE MET A 118 4.082 -5.148 -22.294 1.00 28.12 C ATOM 1488 HA MET A 118 6.426 -6.804 -18.252 1.00 0.00 H ATOM 1489 HB2 MET A 118 7.409 -5.651 -20.881 1.00 0.00 H ATOM 1490 HB3 MET A 118 6.105 -6.853 -20.745 1.00 0.00 H ATOM 1491 HG2 MET A 118 5.997 -4.177 -19.316 1.00 0.00 H ATOM 1492 HG3 MET A 118 4.668 -5.319 -19.621 1.00 0.00 H ATOM 1493 HE1 MET A 118 4.621 -6.079 -22.467 1.00 0.00 H ATOM 1494 HE2 MET A 118 3.234 -5.334 -21.635 1.00 0.00 H ATOM 1495 HE3 MET A 118 3.725 -4.752 -23.245 1.00 0.00 H ATOM 1496 H MET A 118 8.156 -4.605 -18.792 1.00 0.00 H ATOM 1497 N ALA A 119 9.225 -7.683 -19.762 1.00 24.41 N ATOM 1498 CA ALA A 119 10.042 -8.810 -20.163 1.00 18.46 C ATOM 1499 C ALA A 119 10.499 -9.582 -18.960 1.00 24.80 C ATOM 1500 O ALA A 119 10.505 -10.820 -18.978 1.00 25.36 O ATOM 1501 CB ALA A 119 11.249 -8.330 -21.006 1.00 11.47 C ATOM 1502 HA ALA A 119 9.439 -9.475 -20.782 1.00 0.00 H ATOM 1503 HB1 ALA A 119 10.887 -7.818 -21.898 1.00 0.00 H ATOM 1504 HB2 ALA A 119 11.855 -7.645 -20.413 1.00 0.00 H ATOM 1505 HB3 ALA A 119 11.851 -9.190 -21.298 1.00 0.00 H ATOM 1506 H ALA A 119 9.579 -6.719 -19.925 1.00 0.00 H ATOM 1507 N GLN A 120 10.839 -8.870 -17.889 1.00 31.37 N ATOM 1508 CA GLN A 120 11.238 -9.533 -16.643 1.00 30.80 C ATOM 1509 C GLN A 120 10.089 -10.327 -16.005 1.00 31.89 C ATOM 1510 O GLN A 120 10.280 -11.421 -15.455 1.00 32.93 O ATOM 1511 CB GLN A 120 11.781 -8.520 -15.668 1.00 30.63 C ATOM 1512 CG GLN A 120 13.078 -7.941 -16.137 1.00 26.18 C ATOM 1513 CD GLN A 120 13.683 -6.921 -15.171 1.00 36.99 C ATOM 1514 OE1 GLN A 120 12.983 -6.101 -14.564 1.00 51.38 O ATOM 1515 NE2 GLN A 120 14.992 -6.972 -15.037 1.00 36.86 N ATOM 1516 HA GLN A 120 12.019 -10.251 -16.895 1.00 0.00 H ATOM 1517 HB2 GLN A 120 11.055 -7.715 -15.554 1.00 0.00 H ATOM 1518 HB3 GLN A 120 11.938 -9.005 -14.705 1.00 0.00 H ATOM 1519 HG2 GLN A 120 13.791 -8.755 -16.269 1.00 0.00 H ATOM 1520 HG3 GLN A 120 12.909 -7.449 -17.095 1.00 0.00 H ATOM 1521 HE22 GLN A 120 15.542 -7.678 -15.567 1.00 0.00 H ATOM 1522 HE21 GLN A 120 15.476 -6.306 -14.401 1.00 0.00 H ATOM 1523 H GLN A 120 10.822 -7.831 -17.936 1.00 0.00 H ATOM 1524 N ALA A 121 8.884 -9.820 -16.132 1.00 29.42 N ATOM 1525 CA ALA A 121 7.739 -10.551 -15.598 1.00 27.58 C ATOM 1526 C ALA A 121 7.427 -11.785 -16.432 1.00 29.30 C ATOM 1527 O ALA A 121 7.067 -12.847 -15.913 1.00 34.00 O ATOM 1528 CB ALA A 121 6.516 -9.629 -15.539 1.00 25.27 C ATOM 1529 HA ALA A 121 7.990 -10.886 -14.592 1.00 0.00 H ATOM 1530 HB1 ALA A 121 6.735 -8.779 -14.893 1.00 0.00 H ATOM 1531 HB2 ALA A 121 6.282 -9.274 -16.543 1.00 0.00 H ATOM 1532 HB3 ALA A 121 5.665 -10.181 -15.140 1.00 0.00 H ATOM 1533 H ALA A 121 8.747 -8.906 -16.609 1.00 0.00 H ATOM 1534 N LEU A 122 7.514 -11.644 -17.741 1.00 26.75 N ATOM 1535 CA LEU A 122 7.306 -12.788 -18.582 1.00 23.61 C ATOM 1536 C LEU A 122 8.394 -13.775 -18.319 1.00 25.88 C ATOM 1537 O LEU A 122 8.167 -14.985 -18.402 1.00 25.23 O ATOM 1538 CB LEU A 122 7.337 -12.409 -20.050 1.00 21.65 C ATOM 1539 CG LEU A 122 6.121 -11.699 -20.568 1.00 30.06 C ATOM 1540 CD1 LEU A 122 6.364 -11.330 -22.030 1.00 31.88 C ATOM 1541 CD2 LEU A 122 4.892 -12.615 -20.420 1.00 20.80 C ATOM 1542 HA LEU A 122 6.327 -13.210 -18.357 1.00 0.00 H ATOM 1543 HB2 LEU A 122 8.197 -11.759 -20.210 1.00 0.00 H ATOM 1544 HB3 LEU A 122 7.462 -13.324 -20.629 1.00 0.00 H ATOM 1545 HG LEU A 122 5.932 -10.788 -20.000 1.00 0.00 H ATOM 1546 HD21 LEU A 122 5.051 -13.530 -20.991 1.00 0.00 H ATOM 1547 HD22 LEU A 122 4.749 -12.862 -19.368 1.00 0.00 H ATOM 1548 HD23 LEU A 122 4.009 -12.099 -20.796 1.00 0.00 H ATOM 1549 HD11 LEU A 122 7.235 -10.678 -22.099 1.00 0.00 H ATOM 1550 HD12 LEU A 122 6.541 -12.237 -22.608 1.00 0.00 H ATOM 1551 HD13 LEU A 122 5.489 -10.812 -22.423 1.00 0.00 H ATOM 1552 H LEU A 122 7.730 -10.716 -18.158 1.00 0.00 H ATOM 1553 N GLU A 123 9.602 -13.282 -18.090 1.00 26.48 N ATOM 1554 CA GLU A 123 10.700 -14.219 -17.814 1.00 40.40 C ATOM 1555 C GLU A 123 10.474 -15.014 -16.497 1.00 37.00 C ATOM 1556 O GLU A 123 10.794 -16.194 -16.413 1.00 35.72 O ATOM 1557 CB GLU A 123 12.055 -13.505 -17.816 1.00 35.37 C ATOM 1558 CG GLU A 123 13.202 -14.460 -17.876 1.00 23.84 C ATOM 1559 CD GLU A 123 14.559 -13.732 -17.858 1.00 27.08 C ATOM 1560 OE1 GLU A 123 14.544 -12.521 -17.592 1.00 46.67 O ATOM 1561 OE2 GLU A 123 15.627 -14.362 -18.108 1.00 54.19 O ATOM 1562 HA GLU A 123 10.710 -14.948 -18.624 1.00 0.00 H ATOM 1563 HB2 GLU A 123 12.102 -12.846 -18.683 1.00 0.00 H ATOM 1564 HB3 GLU A 123 12.140 -12.912 -16.905 1.00 0.00 H ATOM 1565 HG2 GLU A 123 13.149 -15.129 -17.017 1.00 0.00 H ATOM 1566 HG3 GLU A 123 13.127 -15.043 -18.794 1.00 0.00 H ATOM 1567 H GLU A 123 9.769 -12.256 -18.105 1.00 0.00 H ATOM 1568 N LYS A 124 9.897 -14.371 -15.491 1.00 37.90 N ATOM 1569 CA LYS A 124 9.588 -15.041 -14.231 1.00 39.90 C ATOM 1570 C LYS A 124 8.553 -16.151 -14.499 1.00 41.24 C ATOM 1571 O LYS A 124 8.711 -17.311 -14.095 1.00 36.45 O ATOM 1572 CB LYS A 124 9.053 -14.006 -13.256 1.00 46.92 C ATOM 1573 CG LYS A 124 8.685 -14.481 -11.839 1.00 63.29 C ATOM 1574 CD LYS A 124 8.851 -13.335 -10.818 1.00 75.72 C ATOM 1575 CE LYS A 124 10.357 -13.063 -10.498 1.00 94.56 C ATOM 1576 NZ LYS A 124 10.776 -11.608 -10.517 1.00 72.98 N ATOM 1577 HA LYS A 124 10.477 -15.501 -13.799 1.00 0.00 H ATOM 1578 HB2 LYS A 124 9.813 -13.232 -13.153 1.00 0.00 H ATOM 1579 HB3 LYS A 124 8.155 -13.575 -13.699 1.00 0.00 H ATOM 1580 HG2 LYS A 124 7.649 -14.819 -11.833 1.00 0.00 H ATOM 1581 HG3 LYS A 124 9.337 -15.308 -11.558 1.00 0.00 H ATOM 1582 HD2 LYS A 124 8.407 -12.428 -11.228 1.00 0.00 H ATOM 1583 HD3 LYS A 124 8.336 -13.605 -9.896 1.00 0.00 H ATOM 1584 HE2 LYS A 124 10.958 -13.595 -11.235 1.00 0.00 H ATOM 1585 HE3 LYS A 124 10.566 -13.460 -9.505 1.00 0.00 H ATOM 1586 HZ1 LYS A 124 10.600 -11.210 -11.462 1.00 0.00 H ATOM 1587 HZ2 LYS A 124 10.226 -11.081 -9.809 1.00 0.00 H ATOM 1588 HZ3 LYS A 124 11.789 -11.537 -10.293 1.00 0.00 H ATOM 1589 H LYS A 124 9.659 -13.365 -15.602 1.00 0.00 H ATOM 1590 N LEU A 125 7.502 -15.810 -15.229 1.00 35.02 N ATOM 1591 CA LEU A 125 6.472 -16.795 -15.520 1.00 31.98 C ATOM 1592 C LEU A 125 7.096 -17.980 -16.253 1.00 34.00 C ATOM 1593 O LEU A 125 6.817 -19.134 -15.957 1.00 44.45 O ATOM 1594 CB LEU A 125 5.361 -16.170 -16.350 1.00 33.55 C ATOM 1595 CG LEU A 125 4.273 -17.142 -16.789 1.00 38.92 C ATOM 1596 CD1 LEU A 125 3.779 -17.961 -15.584 1.00 40.14 C ATOM 1597 CD2 LEU A 125 3.156 -16.377 -17.478 1.00 28.51 C ATOM 1598 HA LEU A 125 6.035 -17.148 -14.586 1.00 0.00 H ATOM 1599 HB2 LEU A 125 4.895 -15.383 -15.757 1.00 0.00 H ATOM 1600 HB3 LEU A 125 5.808 -15.734 -17.243 1.00 0.00 H ATOM 1601 HG LEU A 125 4.673 -17.854 -17.511 1.00 0.00 H ATOM 1602 HD21 LEU A 125 2.735 -15.649 -16.785 1.00 0.00 H ATOM 1603 HD22 LEU A 125 3.556 -15.861 -18.351 1.00 0.00 H ATOM 1604 HD23 LEU A 125 2.379 -17.074 -17.791 1.00 0.00 H ATOM 1605 HD11 LEU A 125 4.612 -18.523 -15.162 1.00 0.00 H ATOM 1606 HD12 LEU A 125 3.374 -17.287 -14.829 1.00 0.00 H ATOM 1607 HD13 LEU A 125 3.002 -18.652 -15.910 1.00 0.00 H ATOM 1608 H LEU A 125 7.413 -14.840 -15.593 1.00 0.00 H ATOM 1609 N PHE A 126 7.968 -17.669 -17.199 1.00 35.92 N ATOM 1610 CA PHE A 126 8.661 -18.654 -18.014 1.00 36.02 C ATOM 1611 C PHE A 126 9.451 -19.692 -17.204 1.00 41.59 C ATOM 1612 O PHE A 126 9.339 -20.888 -17.430 1.00 43.14 O ATOM 1613 CB PHE A 126 9.629 -17.885 -18.913 1.00 40.43 C ATOM 1614 CG PHE A 126 10.517 -18.747 -19.710 1.00 29.29 C ATOM 1615 CD1 PHE A 126 9.985 -19.618 -20.649 1.00 28.34 C ATOM 1616 CD2 PHE A 126 11.878 -18.701 -19.531 1.00 36.34 C ATOM 1617 CE1 PHE A 126 10.823 -20.444 -21.399 1.00 34.02 C ATOM 1618 CE2 PHE A 126 12.708 -19.506 -20.281 1.00 32.88 C ATOM 1619 CZ PHE A 126 12.182 -20.374 -21.201 1.00 29.14 C ATOM 1620 HA PHE A 126 7.912 -19.217 -18.572 1.00 0.00 H ATOM 1621 HB2 PHE A 126 9.046 -17.268 -19.596 1.00 0.00 H ATOM 1622 HB3 PHE A 126 10.247 -17.244 -18.284 1.00 0.00 H ATOM 1623 HD2 PHE A 126 12.304 -18.024 -18.791 1.00 0.00 H ATOM 1624 HE2 PHE A 126 13.788 -19.452 -20.142 1.00 0.00 H ATOM 1625 HZ PHE A 126 12.846 -21.015 -21.781 1.00 0.00 H ATOM 1626 HE1 PHE A 126 10.406 -21.135 -22.132 1.00 0.00 H ATOM 1627 HD1 PHE A 126 8.907 -19.658 -20.802 1.00 0.00 H ATOM 1628 H PHE A 126 8.169 -16.663 -17.369 1.00 0.00 H ATOM 1629 N MET A 127 10.282 -19.208 -16.290 1.00 41.98 N ATOM 1630 CA MET A 127 11.028 -20.061 -15.375 1.00 43.72 C ATOM 1631 C MET A 127 10.067 -20.928 -14.562 1.00 47.97 C ATOM 1632 O MET A 127 10.213 -22.160 -14.513 1.00 45.65 O ATOM 1633 CB MET A 127 11.857 -19.184 -14.444 1.00 39.58 C ATOM 1634 CG MET A 127 13.034 -18.506 -15.164 1.00 52.61 C ATOM 1635 SD MET A 127 13.890 -17.277 -14.135 1.00 90.20 S ATOM 1636 CE MET A 127 12.780 -17.055 -12.715 1.00 83.59 C ATOM 1637 HA MET A 127 11.687 -20.717 -15.943 1.00 0.00 H ATOM 1638 HB2 MET A 127 11.212 -18.412 -14.025 1.00 0.00 H ATOM 1639 HB3 MET A 127 12.250 -19.804 -13.638 1.00 0.00 H ATOM 1640 HG2 MET A 127 12.654 -18.008 -16.056 1.00 0.00 H ATOM 1641 HG3 MET A 127 13.751 -19.274 -15.456 1.00 0.00 H ATOM 1642 HE1 MET A 127 11.811 -16.698 -13.065 1.00 0.00 H ATOM 1643 HE2 MET A 127 12.654 -18.008 -12.202 1.00 0.00 H ATOM 1644 HE3 MET A 127 13.211 -16.326 -12.029 1.00 0.00 H ATOM 1645 H MET A 127 10.406 -18.177 -16.224 1.00 0.00 H ATOM 1646 N GLN A 128 9.059 -20.274 -13.969 1.00 46.21 N ATOM 1647 CA GLN A 128 7.989 -20.949 -13.221 1.00 47.27 C ATOM 1648 C GLN A 128 7.467 -22.174 -13.960 1.00 49.17 C ATOM 1649 O GLN A 128 7.245 -23.226 -13.384 1.00 55.19 O ATOM 1650 CB GLN A 128 6.827 -19.981 -12.974 1.00 47.01 C ATOM 1651 CG GLN A 128 6.520 -19.717 -11.540 1.00 57.23 C ATOM 1652 CD GLN A 128 5.207 -20.350 -11.118 1.00 70.95 C ATOM 1653 OE1 GLN A 128 4.281 -20.493 -11.928 1.00 71.90 O ATOM 1654 NE2 GLN A 128 5.113 -20.722 -9.845 1.00 49.32 N ATOM 1655 HA GLN A 128 8.414 -21.276 -12.272 1.00 0.00 H ATOM 1656 HB2 GLN A 128 7.072 -19.031 -13.448 1.00 0.00 H ATOM 1657 HB3 GLN A 128 5.934 -20.398 -13.440 1.00 0.00 H ATOM 1658 HG2 GLN A 128 7.322 -20.126 -10.926 1.00 0.00 H ATOM 1659 HG3 GLN A 128 6.459 -18.640 -11.385 1.00 0.00 H ATOM 1660 HE22 GLN A 128 5.918 -20.582 -9.201 1.00 0.00 H ATOM 1661 HE21 GLN A 128 4.235 -21.153 -9.493 1.00 0.00 H ATOM 1662 H GLN A 128 9.032 -19.237 -14.042 1.00 0.00 H ATOM 1663 N LYS A 129 7.250 -22.030 -15.263 1.00 50.29 N ATOM 1664 CA LYS A 129 6.716 -23.138 -16.064 1.00 49.69 C ATOM 1665 C LYS A 129 7.793 -24.161 -16.459 1.00 55.34 C ATOM 1666 O LYS A 129 7.510 -25.364 -16.588 1.00 59.09 O ATOM 1667 CB LYS A 129 5.987 -22.602 -17.294 1.00 51.17 C ATOM 1668 CG LYS A 129 4.840 -21.657 -16.954 1.00 52.14 C ATOM 1669 CD LYS A 129 3.529 -22.402 -16.728 1.00 53.46 C ATOM 1670 CE LYS A 129 2.471 -21.505 -16.108 1.00 57.25 C ATOM 1671 NZ LYS A 129 2.522 -21.566 -14.599 1.00 85.69 N ATOM 1672 HA LYS A 129 6.003 -23.673 -15.436 1.00 0.00 H ATOM 1673 HB2 LYS A 129 6.705 -22.066 -17.915 1.00 0.00 H ATOM 1674 HB3 LYS A 129 5.585 -23.447 -17.853 1.00 0.00 H ATOM 1675 HG2 LYS A 129 5.094 -21.109 -16.047 1.00 0.00 H ATOM 1676 HG3 LYS A 129 4.708 -20.954 -17.777 1.00 0.00 H ATOM 1677 HD2 LYS A 129 3.162 -22.771 -17.686 1.00 0.00 H ATOM 1678 HD3 LYS A 129 3.712 -23.245 -16.062 1.00 0.00 H ATOM 1679 HE2 LYS A 129 1.487 -21.830 -16.445 1.00 0.00 H ATOM 1680 HE3 LYS A 129 2.642 -20.478 -16.429 1.00 0.00 H ATOM 1681 HZ1 LYS A 129 2.354 -22.544 -14.287 1.00 0.00 H ATOM 1682 HZ2 LYS A 129 3.458 -21.252 -14.272 1.00 0.00 H ATOM 1683 HZ3 LYS A 129 1.789 -20.944 -14.203 1.00 0.00 H ATOM 1684 H LYS A 129 7.461 -21.121 -15.721 1.00 0.00 H ATOM 1685 N LEU A 130 9.023 -23.700 -16.650 1.00 52.99 N ATOM 1686 CA LEU A 130 10.130 -24.614 -16.881 1.00 56.51 C ATOM 1687 C LEU A 130 10.306 -25.552 -15.682 1.00 63.59 C ATOM 1688 O LEU A 130 10.596 -26.748 -15.832 1.00 63.38 O ATOM 1689 CB LEU A 130 11.443 -23.854 -17.113 1.00 53.37 C ATOM 1690 CG LEU A 130 11.824 -23.410 -18.516 1.00 57.63 C ATOM 1691 CD1 LEU A 130 13.356 -23.153 -18.539 1.00 52.14 C ATOM 1692 CD2 LEU A 130 11.379 -24.415 -19.601 1.00 44.61 C ATOM 1693 HA LEU A 130 9.894 -25.192 -17.774 1.00 0.00 H ATOM 1694 HB2 LEU A 130 11.400 -22.955 -16.498 1.00 0.00 H ATOM 1695 HB3 LEU A 130 12.247 -24.498 -16.757 1.00 0.00 H ATOM 1696 HG LEU A 130 11.294 -22.489 -18.760 1.00 0.00 H ATOM 1697 HD21 LEU A 130 11.851 -25.380 -19.416 1.00 0.00 H ATOM 1698 HD22 LEU A 130 10.295 -24.527 -19.568 1.00 0.00 H ATOM 1699 HD23 LEU A 130 11.678 -24.045 -20.582 1.00 0.00 H ATOM 1700 HD11 LEU A 130 13.603 -22.375 -17.817 1.00 0.00 H ATOM 1701 HD12 LEU A 130 13.881 -24.072 -18.279 1.00 0.00 H ATOM 1702 HD13 LEU A 130 13.654 -22.833 -19.537 1.00 0.00 H ATOM 1703 H LEU A 130 9.197 -22.675 -16.634 1.00 0.00 H ATOM 1704 N SER A 131 10.146 -25.007 -14.487 1.00 62.84 N ATOM 1705 CA SER A 131 10.369 -25.803 -13.303 1.00 63.89 C ATOM 1706 C SER A 131 9.487 -27.049 -13.355 1.00 64.29 C ATOM 1707 O SER A 131 9.920 -28.134 -12.982 1.00 70.61 O ATOM 1708 CB SER A 131 10.080 -25.003 -12.043 1.00 62.27 C ATOM 1709 OG SER A 131 8.697 -25.027 -11.775 1.00 61.02 O ATOM 1710 HA SER A 131 11.417 -26.101 -13.274 1.00 0.00 H ATOM 1711 HB2 SER A 131 10.405 -23.972 -12.185 1.00 0.00 H ATOM 1712 HB3 SER A 131 10.620 -25.440 -11.203 1.00 0.00 H ATOM 1713 HG SER A 131 8.207 -24.629 -12.538 1.00 0.00 H ATOM 1714 H SER A 131 9.861 -24.010 -14.401 1.00 0.00 H ATOM 1715 N GLN A 132 8.271 -26.897 -13.858 1.00 58.77 N ATOM 1716 CA GLN A 132 7.308 -27.996 -13.911 1.00 61.12 C ATOM 1717 C GLN A 132 7.317 -28.805 -15.220 1.00 64.74 C ATOM 1718 O GLN A 132 6.328 -29.467 -15.544 1.00 68.91 O ATOM 1719 CB GLN A 132 5.889 -27.449 -13.663 1.00 62.44 C ATOM 1720 CG GLN A 132 5.737 -26.585 -12.399 1.00 51.74 C ATOM 1721 HA GLN A 132 7.615 -28.691 -13.129 1.00 0.00 H ATOM 1722 HB2 GLN A 132 5.605 -26.843 -14.523 1.00 0.00 H ATOM 1723 HB3 GLN A 132 5.210 -28.297 -13.577 1.00 0.00 H ATOM 1724 HG2 GLN A 132 6.002 -27.176 -11.522 1.00 0.00 H ATOM 1725 HG3 GLN A 132 6.398 -25.721 -12.470 1.00 0.00 H ATOM 1726 H GLN A 132 7.992 -25.966 -14.227 1.00 0.00 H ATOM 1727 N MET A 133 8.413 -28.772 -15.970 1.00 67.58 N ATOM 1728 CA MET A 133 8.481 -29.535 -17.219 1.00 72.00 C ATOM 1729 C MET A 133 8.739 -31.012 -16.926 1.00 73.86 C ATOM 1730 O MET A 133 9.368 -31.327 -15.921 1.00 73.10 O ATOM 1731 CB MET A 133 9.594 -29.007 -18.109 1.00 68.71 C ATOM 1732 CG MET A 133 9.583 -29.594 -19.512 1.00 80.92 C ATOM 1733 SD MET A 133 10.646 -28.724 -20.676 1.00 74.23 S ATOM 1734 CE MET A 133 12.149 -28.537 -19.688 1.00 74.68 C ATOM 1735 HA MET A 133 7.525 -29.425 -17.732 1.00 0.00 H ATOM 1736 HB2 MET A 133 9.489 -27.925 -18.187 1.00 0.00 H ATOM 1737 HB3 MET A 133 10.550 -29.245 -17.643 1.00 0.00 H ATOM 1738 HG2 MET A 133 8.561 -29.561 -19.890 1.00 0.00 H ATOM 1739 HG3 MET A 133 9.914 -30.631 -19.453 1.00 0.00 H ATOM 1740 HE1 MET A 133 11.923 -27.963 -18.790 1.00 0.00 H ATOM 1741 HE2 MET A 133 12.522 -29.522 -19.407 1.00 0.00 H ATOM 1742 HE3 MET A 133 12.905 -28.014 -20.274 1.00 0.00 H ATOM 1743 H MET A 133 9.228 -28.201 -15.669 1.00 0.00 H ATOM 1744 N PRO A 134 8.237 -31.917 -17.794 1.00 78.98 N ATOM 1745 CA PRO A 134 8.581 -33.351 -17.788 1.00 83.52 C ATOM 1746 C PRO A 134 10.061 -33.669 -18.034 1.00 87.34 C ATOM 1747 O PRO A 134 10.462 -34.848 -18.011 1.00 92.20 O ATOM 1748 CB PRO A 134 7.740 -33.909 -18.940 1.00 86.32 C ATOM 1749 CG PRO A 134 6.554 -33.032 -19.000 1.00 81.37 C ATOM 1750 CD PRO A 134 7.036 -31.657 -18.614 1.00 78.84 C ATOM 1751 HA PRO A 134 8.385 -33.781 -16.806 1.00 0.00 H ATOM 1752 HD3 PRO A 134 7.289 -31.072 -19.498 1.00 0.00 H ATOM 1753 HD2 PRO A 134 6.278 -31.129 -18.035 1.00 0.00 H ATOM 1754 HG3 PRO A 134 5.792 -33.377 -18.301 1.00 0.00 H ATOM 1755 HG2 PRO A 134 6.142 -33.020 -20.009 1.00 0.00 H ATOM 1756 HB2 PRO A 134 8.296 -33.868 -19.877 1.00 0.00 H ATOM 1757 HB3 PRO A 134 7.446 -34.939 -18.738 1.00 0.00 H TER 1758 PRO A 134 HETATM 1759 O HOH 1 14.135 -6.638 -28.106 1.00 19.12 O HETATM 1760 O HOH 2 12.816 -9.019 -27.435 1.00 17.21 O HETATM 1761 O HOH 3 19.607 -8.548 -37.402 1.00 22.37 O HETATM 1762 O HOH 4 16.298 -1.808 -37.506 1.00 34.97 O HETATM 1763 O HOH 5 9.824 0.745 -22.775 1.00 22.43 O HETATM 1764 O HOH 6 9.006 -8.778 -30.701 1.00 17.06 O HETATM 1765 O HOH 7 14.060 -9.779 -30.892 1.00 25.17 O HETATM 1766 O HOH 8 20.701 -10.631 -30.590 1.00 23.52 O HETATM 1767 O HOH 9 12.184 -11.673 -34.501 1.00 27.05 O HETATM 1768 O HOH 10 20.694 -11.111 -26.997 1.00 36.48 O HETATM 1769 O HOH 11 9.226 -3.401 -41.180 1.00 28.55 O HETATM 1770 O HOH 12 6.671 -4.280 -33.731 1.00 35.46 O HETATM 1771 O HOH 13 11.281 -4.443 -39.723 1.00 28.35 O HETATM 1772 O HOH 14 -0.005 -10.714 -32.786 1.00 37.91 O HETATM 1773 O HOH 15 11.144 -9.759 -29.468 1.00 17.75 O HETATM 1774 O HOH 16 20.471 -7.534 -39.704 1.00 33.54 O HETATM 1775 O HOH 17 18.068 -13.972 -20.265 1.00 46.60 O HETATM 1776 O HOH 18 0.643 -3.724 -21.214 1.00 32.07 O HETATM 1777 O HOH 19 12.274 -9.352 -33.654 1.00 33.94 O HETATM 1778 O HOH 20 -0.805 -16.647 -18.683 1.00 39.75 O HETATM 1779 O HOH 21 1.717 -23.930 -32.000 1.00 59.31 O HETATM 1780 O HOH 22 25.112 -5.270 -30.340 1.00 34.09 O HETATM 1781 O HOH 23 17.702 -15.126 -34.819 1.00 38.23 O HETATM 1782 O HOH 24 -2.041 -11.851 -17.562 1.00 38.40 O HETATM 1783 O HOH 25 19.217 2.683 -29.293 1.00 43.06 O HETATM 1784 O HOH 26 22.859 -9.158 -30.511 1.00 30.68 O HETATM 1785 O HOH 27 20.245 -31.143 -25.204 1.00 57.34 O HETATM 1786 O HOH 28 10.610 -7.375 -39.383 1.00 38.02 O HETATM 1787 O HOH 29 7.924 5.099 -32.047 1.00 43.03 O HETATM 1788 O HOH 30 12.787 -11.846 -37.133 1.00 32.88 O HETATM 1789 O HOH 31 10.372 -23.218 -39.076 1.00 40.11 O HETATM 1790 O HOH 32 19.318 -15.066 -36.954 1.00 42.54 O HETATM 1791 O HOH 33 6.204 -13.448 -37.711 1.00 50.06 O HETATM 1792 O HOH 34 6.495 -6.611 -32.504 1.00 41.05 O HETATM 1793 O HOH 35 5.696 -1.265 -41.213 1.00 35.37 O HETATM 1794 O HOH 36 19.694 -1.658 -38.654 1.00 44.29 O HETATM 1795 O HOH 37 18.101 -18.577 -34.004 1.00 44.48 O HETATM 1796 O HOH 38 18.497 -18.159 -29.917 1.00 50.97 O HETATM 1797 O HOH 39 18.312 -21.853 -30.610 1.00 45.75 O HETATM 1798 O HOH 40 18.084 -5.146 -17.614 1.00 45.07 O HETATM 1799 O HOH 41 8.635 1.242 -16.049 1.00 50.23 O HETATM 1800 O HOH 42 9.395 3.497 -20.120 1.00 41.34 O HETATM 1801 O HOH 43 6.261 4.493 -17.450 1.00 49.20 O HETATM 1802 O HOH 44 4.506 -2.741 -34.354 1.00 39.57 O HETATM 1803 O HOH 45 3.029 -3.686 -32.633 1.00 41.79 O HETATM 1804 CAA JQ A 1 10.133 -6.313 -28.351 1.00 0.02 C HETATM 1805 CAV JQ A 1 10.764 -4.978 -28.179 1.00 0.15 C HETATM 1806 NAO JQ A 1 12.059 -4.730 -27.866 1.00 -0.28 N HETATM 1807 NAP JQ A 1 12.224 -3.476 -27.810 1.00 -0.28 N HETATM 1808 CAZ JQ A 1 11.078 -2.870 -28.112 1.00 0.16 C HETATM 1809 CBC JQ A 1 10.785 -1.357 -28.205 1.00 0.10 C HETATM 1810 CAM JQ A 1 11.982 -0.421 -28.022 1.00 0.07 C HETATM 1811 CAS JQ A 1 11.425 0.988 -28.245 1.00 0.24 C HETATM 1812 OAG JQ A 1 11.940 1.983 -27.790 1.00 -0.37 O HETATM 1813 OAQ JQ A 1 10.281 1.143 -28.946 1.00 -0.27 O HETATM 1814 CBE JQ A 1 9.650 2.461 -28.980 1.00 0.09 C HETATM 1815 CAD JQ A 1 8.403 2.191 -29.817 1.00 -0.03 C HETATM 1816 H10 JQ A 1 7.824 3.120 -29.923 1.00 0.03 H HETATM 1817 H11 JQ A 1 7.785 1.429 -29.319 1.00 0.03 H HETATM 1818 H12 JQ A 1 8.701 1.829 -30.812 1.00 0.03 H HETATM 1819 CAE JQ A 1 9.296 2.883 -27.550 1.00 -0.03 C HETATM 1820 H13 JQ A 1 10.220 3.067 -26.983 1.00 0.03 H HETATM 1821 H14 JQ A 1 8.720 2.082 -27.063 1.00 0.03 H HETATM 1822 H15 JQ A 1 8.693 3.803 -27.578 1.00 0.03 H HETATM 1823 CAF JQ A 1 10.493 3.563 -29.658 1.00 -0.03 C HETATM 1824 H16 JQ A 1 10.744 3.254 -30.684 1.00 0.03 H HETATM 1825 H17 JQ A 1 11.419 3.720 -29.086 1.00 0.03 H HETATM 1826 H18 JQ A 1 9.917 4.500 -29.688 1.00 0.03 H HETATM 1827 H23 JQ A 1 12.395 -0.517 -27.007 1.00 0.06 H HETATM 1828 H24 JQ A 1 12.766 -0.648 -28.760 1.00 0.06 H HETATM 1829 NAN JQ A 1 9.780 -1.064 -27.171 1.00 -0.34 N HETATM 1830 CAT JQ A 1 8.526 -1.512 -27.222 1.00 0.03 C HETATM 1831 CAW JQ A 1 7.679 -1.135 -26.131 1.00 0.01 C HETATM 1832 CAK JQ A 1 7.870 0.053 -25.386 1.00 -0.04 C HETATM 1833 CAI JQ A 1 7.057 0.405 -24.276 1.00 -0.04 C HETATM 1834 CAU JQ A 1 6.026 -0.457 -23.937 1.00 0.05 C HETATM 1835 CLAH JQ A 1 4.889 -0.205 -22.646 1.00 -0.06 CL HETATM 1836 CAJ JQ A 1 5.860 -1.651 -24.633 1.00 -0.04 C HETATM 1837 CAL JQ A 1 6.663 -1.976 -25.705 1.00 -0.04 C HETATM 1838 H22 JQ A 1 6.496 -2.911 -26.227 1.00 0.07 H HETATM 1839 H20 JQ A 1 5.082 -2.340 -24.325 1.00 0.06 H HETATM 1840 H19 JQ A 1 7.236 1.315 -23.714 1.00 0.06 H HETATM 1841 H21 JQ A 1 8.671 0.723 -25.675 1.00 0.07 H HETATM 1842 CBA JQ A 1 8.122 -2.443 -28.232 1.00 0.03 C HETATM 1843 CAY JQ A 1 6.895 -2.341 -28.914 1.00 -0.06 C HETATM 1844 CAC JQ A 1 5.948 -1.228 -28.564 1.00 -0.05 C HETATM 1845 H7 JQ A 1 5.047 -1.302 -29.191 1.00 0.03 H HETATM 1846 H8 JQ A 1 6.439 -0.260 -28.741 1.00 0.03 H HETATM 1847 H9 JQ A 1 5.665 -1.307 -27.504 1.00 0.03 H HETATM 1848 CAX JQ A 1 6.659 -3.328 -29.824 1.00 0.00 C HETATM 1849 CAB JQ A 1 5.372 -3.549 -30.703 1.00 -0.03 C HETATM 1850 H4 JQ A 1 4.632 -2.769 -30.472 1.00 0.04 H HETATM 1851 H5 JQ A 1 4.943 -4.538 -30.483 1.00 0.04 H HETATM 1852 H6 JQ A 1 5.641 -3.494 -31.768 1.00 0.04 H HETATM 1853 SAR JQ A 1 8.051 -4.376 -29.919 1.00 0.01 S HETATM 1854 CBB JQ A 1 8.897 -3.521 -28.696 1.00 0.18 C HETATM 1855 NBD JQ A 1 10.147 -3.808 -28.323 1.00 -0.15 N HETATM 1856 H25 JQ A 1 10.357 -1.155 -29.198 1.00 0.07 H HETATM 1857 H1 JQ A 1 10.882 -7.098 -28.170 1.00 0.05 H HETATM 1858 H2 JQ A 1 9.745 -6.406 -29.376 1.00 0.05 H HETATM 1859 H3 JQ A 1 9.306 -6.423 -27.634 1.00 0.05 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 1804 1805 1857 1858 1859 CONECT 1805 1804 1806 1855 CONECT 1806 1805 1807 CONECT 1807 1806 1808 CONECT 1808 1807 1809 1855 CONECT 1809 1808 1810 1829 1856 CONECT 1810 1809 1811 1827 1828 CONECT 1811 1810 1812 1813 CONECT 1812 1811 CONECT 1813 1811 1814 CONECT 1814 1813 1815 1819 1823 CONECT 1815 1814 1816 1817 1818 CONECT 1816 1815 CONECT 1817 1815 CONECT 1818 1815 CONECT 1819 1814 1820 1821 1822 CONECT 1820 1819 CONECT 1821 1819 CONECT 1822 1819 CONECT 1823 1814 1824 1825 1826 CONECT 1824 1823 CONECT 1825 1823 CONECT 1826 1823 CONECT 1827 1810 CONECT 1828 1810 CONECT 1829 1809 1830 CONECT 1830 1829 1831 1842 CONECT 1831 1830 1832 1837 CONECT 1832 1831 1833 1841 CONECT 1833 1832 1834 1840 CONECT 1834 1833 1835 1836 CONECT 1835 1834 CONECT 1836 1834 1837 1839 CONECT 1837 1831 1836 1838 CONECT 1838 1837 CONECT 1839 1836 CONECT 1840 1833 CONECT 1841 1832 CONECT 1842 1830 1843 1854 CONECT 1843 1842 1844 1848 CONECT 1844 1843 1845 1846 1847 CONECT 1845 1844 CONECT 1846 1844 CONECT 1847 1844 CONECT 1848 1843 1849 1853 CONECT 1849 1848 1850 1851 1852 CONECT 1850 1849 CONECT 1851 1849 CONECT 1852 1849 CONECT 1853 1848 1854 CONECT 1854 1842 1853 1855 CONECT 1855 1805 1808 1854 CONECT 1856 1809 CONECT 1857 1804 CONECT 1858 1804 CONECT 1859 1804 MASTER 0 0 0 0 0 0 0 0 1858 1 60 9 END
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Structure:
Ligand 2D
Ligand 3D
Protein
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Protein-Ligand
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Related entries of code: 4flp
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4kcx
RCSB PDB
PDBbind
117aa, >4KCX_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3mxf
RCSB PDB
PDBbind
JQ1
4qzs
RCSB PDB
PDBbind
JQ1
Entry Information
PDB ID
4flp
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Bromodomain testis-specific protein(first bromodomain (UNP residues 21-137))
Ligand Name
JQ1
EC.Number
E.C.-.-.-.-
Resolution
2.23(Å)
Affinity (Kd/Ki/IC50)
Kd=190.1nM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) Cell(Cambridge,Mass.) Vol. 150: pp. 673-684
Ligand Properties
Formula
C
2
3
H
2
5
ClN
4
O
2
S
Molecular Weight
456.988
Exact Mass
456.139
No. of atoms
56
No. of bonds
59
Polar Surface Area
97.61
LOGP Value
4.85 (
Computed with XLOGP3
)
4.97 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
Canonical SMILES
O=C(OC(C)(C)C)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C
InChI String
InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/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):
Q58F21
Entrez Gene ID
NCBI Entrez Gene ID:
676
ASD
Information of known allosteric effects of PDB entries
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