Browse entries in the PDBbind-CN Database
HEADER 1JN4_COMPLEX COMPND 1JN4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL HET UNN A 248 65 SSBOND 1 CYS A 65 CYS A 72 SSBOND 2 CYS A 26 CYS A 84 SSBOND 3 CYS A 40 CYS A 95 SSBOND 4 CYS A 58 CYS A 110 ATOM 1 N LYS A 1 36.540 -20.502 24.463 1.00 44.47 N ATOM 2 CA LYS A 1 35.966 -19.905 25.701 1.00 45.04 C ATOM 3 C LYS A 1 34.767 -18.994 25.392 1.00 44.15 C ATOM 4 O LYS A 1 33.836 -19.388 24.676 1.00 45.82 O ATOM 5 CB LYS A 1 37.056 -19.115 26.455 1.00 45.75 C ATOM 6 CG LYS A 1 36.619 -18.521 27.811 1.00 45.88 C ATOM 7 CD LYS A 1 37.472 -17.308 28.204 1.00 47.05 C ATOM 8 CE LYS A 1 37.299 -16.135 27.232 1.00 45.67 C ATOM 9 NZ LYS A 1 38.058 -16.300 25.948 1.00 44.70 N ATOM 10 HA LYS A 1 35.605 -20.719 26.330 1.00 0.00 H ATOM 11 HB2 LYS A 1 37.895 -19.787 26.636 1.00 0.00 H ATOM 12 HB3 LYS A 1 37.380 -18.294 25.816 1.00 0.00 H ATOM 13 HG2 LYS A 1 35.576 -18.211 27.741 1.00 0.00 H ATOM 14 HG3 LYS A 1 36.719 -19.287 28.580 1.00 0.00 H ATOM 15 HD2 LYS A 1 37.180 -16.982 29.202 1.00 0.00 H ATOM 16 HD3 LYS A 1 38.521 -17.605 28.213 1.00 0.00 H ATOM 17 HE2 LYS A 1 37.646 -15.226 27.723 1.00 0.00 H ATOM 18 HE3 LYS A 1 36.239 -16.037 26.996 1.00 0.00 H ATOM 19 HZ1 LYS A 1 39.074 -16.384 26.155 1.00 0.00 H ATOM 20 HZ2 LYS A 1 37.730 -17.158 25.461 1.00 0.00 H ATOM 21 HZ3 LYS A 1 37.895 -15.471 25.341 1.00 0.00 H ATOM 22 HN3 LYS A 1 36.861 -19.742 23.830 1.00 0.00 H ATOM 23 HN2 LYS A 1 35.812 -21.070 23.984 1.00 0.00 H ATOM 24 HN1 LYS A 1 37.346 -21.109 24.714 1.00 0.00 H ATOM 25 N GLU A 2 34.805 -17.778 25.939 1.00 40.96 N ATOM 26 CA GLU A 2 33.747 -16.799 25.765 1.00 35.41 C ATOM 27 C GLU A 2 33.795 -16.175 24.380 1.00 33.62 C ATOM 28 O GLU A 2 34.850 -15.765 23.904 1.00 34.56 O ATOM 29 CB GLU A 2 33.866 -15.735 26.850 1.00 35.28 C ATOM 30 CG GLU A 2 34.228 -14.362 26.359 1.00 33.47 C ATOM 31 CD GLU A 2 34.431 -13.399 27.497 1.00 30.65 C ATOM 32 OE1 GLU A 2 35.444 -12.679 27.478 1.00 32.16 O ATOM 33 OE2 GLU A 2 33.579 -13.361 28.408 1.00 28.61 O ATOM 34 HA GLU A 2 32.783 -17.299 25.857 1.00 0.00 H ATOM 35 HB2 GLU A 2 32.907 -15.668 27.364 1.00 0.00 H ATOM 36 HB3 GLU A 2 34.633 -16.055 27.555 1.00 0.00 H ATOM 37 HG2 GLU A 2 35.150 -14.425 25.781 1.00 0.00 H ATOM 38 HG3 GLU A 2 33.425 -13.992 25.721 1.00 0.00 H ATOM 39 H GLU A 2 35.630 -17.519 26.517 1.00 0.00 H ATOM 40 N THR A 3 32.636 -16.115 23.737 1.00 30.98 N ATOM 41 CA THR A 3 32.519 -15.564 22.394 1.00 26.39 C ATOM 42 C THR A 3 32.759 -14.066 22.397 1.00 23.59 C ATOM 43 O THR A 3 32.751 -13.422 23.452 1.00 24.74 O ATOM 44 CB THR A 3 31.119 -15.831 21.827 1.00 25.88 C ATOM 45 OG1 THR A 3 30.140 -15.158 22.640 1.00 27.82 O ATOM 46 CG2 THR A 3 30.830 -17.322 21.816 1.00 23.09 C ATOM 47 HA THR A 3 33.272 -16.050 21.774 1.00 0.00 H ATOM 48 HB THR A 3 31.072 -15.456 20.805 1.00 0.00 H ATOM 49 HG1 THR A 3 30.193 -15.499 23.568 1.00 0.00 H ATOM 50 HG23 THR A 3 31.572 -17.830 21.200 1.00 0.00 H ATOM 51 HG21 THR A 3 30.876 -17.707 22.835 1.00 0.00 H ATOM 52 HG22 THR A 3 29.835 -17.495 21.405 1.00 0.00 H ATOM 53 H THR A 3 31.781 -16.474 24.208 1.00 0.00 H ATOM 54 N ALA A 4 32.960 -13.517 21.209 1.00 22.74 N ATOM 55 CA ALA A 4 33.194 -12.092 21.050 1.00 22.13 C ATOM 56 C ALA A 4 31.957 -11.343 21.515 1.00 21.86 C ATOM 57 O ALA A 4 32.055 -10.278 22.126 1.00 22.22 O ATOM 58 CB ALA A 4 33.473 -11.778 19.600 1.00 23.13 C ATOM 59 HA ALA A 4 34.056 -11.787 21.644 1.00 0.00 H ATOM 60 HB1 ALA A 4 34.356 -12.327 19.274 1.00 0.00 H ATOM 61 HB2 ALA A 4 32.616 -12.073 18.994 1.00 0.00 H ATOM 62 HB3 ALA A 4 33.647 -10.708 19.488 1.00 0.00 H ATOM 63 H ALA A 4 32.950 -14.124 20.365 1.00 0.00 H ATOM 64 N ALA A 5 30.792 -11.914 21.220 1.00 22.63 N ATOM 65 CA ALA A 5 29.512 -11.319 21.604 1.00 23.49 C ATOM 66 C ALA A 5 29.422 -11.261 23.121 1.00 23.28 C ATOM 67 O ALA A 5 29.026 -10.256 23.707 1.00 21.50 O ATOM 68 CB ALA A 5 28.356 -12.159 21.042 1.00 24.00 C ATOM 69 HA ALA A 5 29.443 -10.310 21.197 1.00 0.00 H ATOM 70 HB1 ALA A 5 28.427 -12.191 19.955 1.00 0.00 H ATOM 71 HB2 ALA A 5 28.417 -13.171 21.441 1.00 0.00 H ATOM 72 HB3 ALA A 5 27.407 -11.709 21.333 1.00 0.00 H ATOM 73 H ALA A 5 30.791 -12.814 20.699 1.00 0.00 H ATOM 74 N ALA A 6 29.803 -12.359 23.754 1.00 24.77 N ATOM 75 CA ALA A 6 29.776 -12.452 25.202 1.00 24.04 C ATOM 76 C ALA A 6 30.687 -11.398 25.825 1.00 23.81 C ATOM 77 O ALA A 6 30.311 -10.713 26.780 1.00 26.10 O ATOM 78 CB ALA A 6 30.215 -13.859 25.635 1.00 23.70 C ATOM 79 HA ALA A 6 28.759 -12.270 25.549 1.00 0.00 H ATOM 80 HB1 ALA A 6 29.534 -14.597 25.211 1.00 0.00 H ATOM 81 HB2 ALA A 6 31.227 -14.048 25.278 1.00 0.00 H ATOM 82 HB3 ALA A 6 30.194 -13.926 26.723 1.00 0.00 H ATOM 83 H ALA A 6 30.130 -13.176 23.200 1.00 0.00 H ATOM 84 N LYS A 7 31.888 -11.270 25.282 1.00 20.84 N ATOM 85 CA LYS A 7 32.848 -10.312 25.803 1.00 19.88 C ATOM 86 C LYS A 7 32.301 -8.891 25.759 1.00 18.33 C ATOM 87 O LYS A 7 32.451 -8.142 26.717 1.00 17.79 O ATOM 88 CB LYS A 7 34.154 -10.411 25.007 1.00 20.18 C ATOM 89 CG LYS A 7 35.295 -9.554 25.511 1.00 22.27 C ATOM 90 CD LYS A 7 36.549 -9.777 24.660 1.00 23.76 C ATOM 91 CE LYS A 7 37.601 -8.699 24.924 1.00 29.21 C ATOM 92 NZ LYS A 7 38.880 -8.903 24.160 1.00 33.78 N ATOM 93 HA LYS A 7 33.041 -10.553 26.848 1.00 0.00 H ATOM 94 HB2 LYS A 7 34.481 -11.451 25.027 1.00 0.00 H ATOM 95 HB3 LYS A 7 33.943 -10.118 23.979 1.00 0.00 H ATOM 96 HG2 LYS A 7 35.007 -8.504 25.457 1.00 0.00 H ATOM 97 HG3 LYS A 7 35.512 -9.817 26.546 1.00 0.00 H ATOM 98 HD2 LYS A 7 36.972 -10.752 24.900 1.00 0.00 H ATOM 99 HD3 LYS A 7 36.272 -9.752 23.606 1.00 0.00 H ATOM 100 HE2 LYS A 7 37.833 -8.697 25.989 1.00 0.00 H ATOM 101 HE3 LYS A 7 37.182 -7.733 24.643 1.00 0.00 H ATOM 102 HZ1 LYS A 7 39.299 -9.817 24.426 1.00 0.00 H ATOM 103 HZ2 LYS A 7 38.678 -8.896 23.140 1.00 0.00 H ATOM 104 HZ3 LYS A 7 39.545 -8.136 24.388 1.00 0.00 H ATOM 105 H LYS A 7 32.148 -11.865 24.470 1.00 0.00 H ATOM 106 N PHE A 8 31.677 -8.521 24.641 1.00 18.44 N ATOM 107 CA PHE A 8 31.089 -7.193 24.478 1.00 13.66 C ATOM 108 C PHE A 8 30.060 -6.896 25.592 1.00 14.79 C ATOM 109 O PHE A 8 29.974 -5.788 26.101 1.00 13.86 O ATOM 110 CB PHE A 8 30.410 -7.095 23.101 1.00 14.03 C ATOM 111 CG PHE A 8 29.670 -5.806 22.888 1.00 13.50 C ATOM 112 CD1 PHE A 8 30.317 -4.699 22.365 1.00 13.05 C ATOM 113 CD2 PHE A 8 28.354 -5.670 23.312 1.00 14.34 C ATOM 114 CE1 PHE A 8 29.677 -3.474 22.272 1.00 12.70 C ATOM 115 CE2 PHE A 8 27.705 -4.456 23.225 1.00 14.18 C ATOM 116 CZ PHE A 8 28.373 -3.347 22.703 1.00 14.09 C ATOM 117 HA PHE A 8 31.887 -6.454 24.549 1.00 0.00 H ATOM 118 HB2 PHE A 8 31.176 -7.184 22.331 1.00 0.00 H ATOM 119 HB3 PHE A 8 29.703 -7.919 23.005 1.00 0.00 H ATOM 120 HD2 PHE A 8 27.828 -6.534 23.719 1.00 0.00 H ATOM 121 HE2 PHE A 8 26.673 -4.363 23.563 1.00 0.00 H ATOM 122 HZ PHE A 8 27.866 -2.384 22.636 1.00 0.00 H ATOM 123 HE1 PHE A 8 30.203 -2.613 21.859 1.00 0.00 H ATOM 124 HD1 PHE A 8 31.347 -4.793 22.021 1.00 0.00 H ATOM 125 H PHE A 8 31.606 -9.201 23.857 1.00 0.00 H ATOM 126 N GLU A 9 29.258 -7.891 25.954 1.00 16.44 N ATOM 127 CA GLU A 9 28.267 -7.700 27.009 1.00 18.39 C ATOM 128 C GLU A 9 28.931 -7.472 28.370 1.00 16.87 C ATOM 129 O GLU A 9 28.506 -6.616 29.144 1.00 16.08 O ATOM 130 CB GLU A 9 27.335 -8.910 27.070 1.00 17.97 C ATOM 131 CG GLU A 9 26.725 -9.226 25.719 1.00 20.76 C ATOM 132 CD GLU A 9 25.544 -10.147 25.821 1.00 25.17 C ATOM 133 OE1 GLU A 9 24.968 -10.265 26.937 1.00 27.02 O ATOM 134 OE2 GLU A 9 25.196 -10.751 24.785 1.00 23.44 O ATOM 135 HA GLU A 9 27.687 -6.808 26.771 1.00 0.00 H ATOM 136 HB2 GLU A 9 27.903 -9.775 27.411 1.00 0.00 H ATOM 137 HB3 GLU A 9 26.533 -8.702 27.778 1.00 0.00 H ATOM 138 HG2 GLU A 9 26.403 -8.294 25.254 1.00 0.00 H ATOM 139 HG3 GLU A 9 27.484 -9.698 25.095 1.00 0.00 H ATOM 140 H GLU A 9 29.337 -8.814 25.482 1.00 0.00 H ATOM 141 N ARG A 10 29.991 -8.223 28.645 1.00 19.91 N ATOM 142 CA ARG A 10 30.694 -8.088 29.914 1.00 20.89 C ATOM 143 C ARG A 10 31.471 -6.778 29.989 1.00 21.26 C ATOM 144 O ARG A 10 31.638 -6.191 31.056 1.00 23.22 O ATOM 145 CB ARG A 10 31.655 -9.258 30.094 1.00 22.48 C ATOM 146 CG ARG A 10 32.862 -8.964 30.971 1.00 22.16 C ATOM 147 CD ARG A 10 33.679 -10.225 31.237 1.00 25.38 C ATOM 148 NE ARG A 10 34.580 -10.580 30.134 1.00 27.18 N ATOM 149 CZ ARG A 10 35.752 -9.990 29.882 1.00 27.57 C ATOM 150 NH1 ARG A 10 36.194 -8.995 30.652 1.00 27.35 N ATOM 151 NH2 ARG A 10 36.483 -10.395 28.845 1.00 26.10 N ATOM 152 HA ARG A 10 29.950 -8.087 30.711 1.00 0.00 H ATOM 153 HB2 ARG A 10 31.103 -10.084 30.542 1.00 0.00 H ATOM 154 HB3 ARG A 10 32.016 -9.555 29.109 1.00 0.00 H ATOM 155 HG2 ARG A 10 33.494 -8.231 30.470 1.00 0.00 H ATOM 156 HG3 ARG A 10 32.519 -8.557 31.922 1.00 0.00 H ATOM 157 HD2 ARG A 10 32.991 -11.054 31.402 1.00 0.00 H ATOM 158 HD3 ARG A 10 34.277 -10.067 32.134 1.00 0.00 H ATOM 159 HE ARG A 10 34.284 -11.349 29.500 1.00 0.00 H ATOM 160 HH12 ARG A 10 37.108 -8.544 30.445 1.00 0.00 H ATOM 161 HH11 ARG A 10 35.625 -8.670 31.459 1.00 0.00 H ATOM 162 HH22 ARG A 10 37.396 -9.940 28.643 1.00 0.00 H ATOM 163 HH21 ARG A 10 36.141 -11.166 28.237 1.00 0.00 H ATOM 164 H ARG A 10 30.324 -8.917 27.945 1.00 0.00 H ATOM 165 N GLN A 11 31.941 -6.314 28.847 1.00 20.81 N ATOM 166 CA GLN A 11 32.726 -5.096 28.822 1.00 21.23 C ATOM 167 C GLN A 11 31.913 -3.812 28.682 1.00 19.26 C ATOM 168 O GLN A 11 32.301 -2.767 29.191 1.00 18.84 O ATOM 169 CB GLN A 11 33.730 -5.178 27.676 1.00 22.65 C ATOM 170 CG GLN A 11 34.847 -6.180 27.880 1.00 28.06 C ATOM 171 CD GLN A 11 36.121 -5.762 27.157 1.00 32.84 C ATOM 172 OE1 GLN A 11 36.973 -5.074 27.722 1.00 36.38 O ATOM 173 NE2 GLN A 11 36.249 -6.165 25.897 1.00 32.72 N ATOM 174 HA GLN A 11 33.216 -5.034 29.794 1.00 0.00 H ATOM 175 HB2 GLN A 11 33.189 -5.452 26.770 1.00 0.00 H ATOM 176 HB3 GLN A 11 34.178 -4.193 27.546 1.00 0.00 H ATOM 177 HG2 GLN A 11 35.057 -6.262 28.946 1.00 0.00 H ATOM 178 HG3 GLN A 11 34.526 -7.149 27.498 1.00 0.00 H ATOM 179 HE22 GLN A 11 35.505 -6.745 25.458 1.00 0.00 H ATOM 180 HE21 GLN A 11 37.093 -5.900 25.350 1.00 0.00 H ATOM 181 H GLN A 11 31.748 -6.824 27.962 1.00 0.00 H ATOM 182 N HIS A 12 30.771 -3.884 28.014 1.00 17.30 N ATOM 183 CA HIS A 12 30.018 -2.668 27.782 1.00 15.39 C ATOM 184 C HIS A 12 28.557 -2.623 28.150 1.00 16.50 C ATOM 185 O HIS A 12 27.947 -1.573 28.048 1.00 17.73 O ATOM 186 CB HIS A 12 30.139 -2.283 26.311 1.00 18.01 C ATOM 187 CG HIS A 12 31.546 -2.266 25.816 1.00 15.23 C ATOM 188 ND1 HIS A 12 32.366 -1.173 25.969 1.00 14.54 N ATOM 189 CD2 HIS A 12 32.293 -3.229 25.233 1.00 12.22 C ATOM 190 CE1 HIS A 12 33.565 -1.466 25.503 1.00 13.94 C ATOM 191 NE2 HIS A 12 33.546 -2.706 25.051 1.00 14.85 N ATOM 192 HA HIS A 12 30.481 -1.972 28.482 1.00 0.00 H ATOM 193 HB2 HIS A 12 29.573 -3.001 25.718 1.00 0.00 H ATOM 194 HB3 HIS A 12 29.714 -1.288 26.178 1.00 0.00 H ATOM 195 HD2 HIS A 12 31.962 -4.231 24.960 1.00 0.00 H ATOM 196 HE1 HIS A 12 34.426 -0.797 25.493 1.00 0.00 H ATOM 197 H HIS A 12 30.421 -4.798 27.662 1.00 0.00 H ATOM 198 N MET A 13 27.984 -3.741 28.557 1.00 17.83 N ATOM 199 CA MET A 13 26.575 -3.733 28.903 1.00 21.53 C ATOM 200 C MET A 13 26.280 -3.626 30.408 1.00 22.34 C ATOM 201 O MET A 13 26.920 -4.266 31.249 1.00 23.71 O ATOM 202 CB MET A 13 25.904 -4.987 28.339 1.00 19.22 C ATOM 203 CG MET A 13 25.761 -4.985 26.828 1.00 20.71 C ATOM 204 SD MET A 13 24.652 -3.704 26.181 1.00 20.39 S ATOM 205 CE MET A 13 23.179 -3.901 27.201 1.00 19.29 C ATOM 206 HA MET A 13 26.166 -2.826 28.457 1.00 0.00 H ATOM 207 HB2 MET A 13 26.500 -5.853 28.626 1.00 0.00 H ATOM 208 HB3 MET A 13 24.910 -5.070 28.777 1.00 0.00 H ATOM 209 HG2 MET A 13 25.375 -5.957 26.521 1.00 0.00 H ATOM 210 HG3 MET A 13 26.748 -4.833 26.392 1.00 0.00 H ATOM 211 HE1 MET A 13 22.781 -4.908 27.072 1.00 0.00 H ATOM 212 HE2 MET A 13 23.440 -3.744 28.248 1.00 0.00 H ATOM 213 HE3 MET A 13 22.429 -3.171 26.898 1.00 0.00 H ATOM 214 H MET A 13 28.537 -4.619 28.629 1.00 0.00 H ATOM 215 N ASP A 14 25.321 -2.780 30.742 1.00 23.02 N ATOM 216 CA ASP A 14 24.887 -2.644 32.124 1.00 24.71 C ATOM 217 C ASP A 14 23.496 -2.022 32.150 1.00 22.45 C ATOM 218 O ASP A 14 23.336 -0.821 32.398 1.00 20.67 O ATOM 219 CB ASP A 14 25.856 -1.797 32.959 1.00 27.05 C ATOM 220 CG ASP A 14 25.424 -1.710 34.421 1.00 26.75 C ATOM 221 OD1 ASP A 14 24.711 -2.641 34.871 1.00 21.41 O ATOM 222 OD2 ASP A 14 25.782 -0.717 35.102 1.00 28.37 O ATOM 223 HA ASP A 14 24.867 -3.638 32.570 1.00 0.00 H ATOM 224 HB2 ASP A 14 26.848 -2.246 32.911 1.00 0.00 H ATOM 225 HB3 ASP A 14 25.893 -0.791 32.542 1.00 0.00 H ATOM 226 H ASP A 14 24.869 -2.202 30.005 1.00 0.00 H ATOM 227 N SER A 15 22.500 -2.856 31.864 1.00 23.81 N ATOM 228 CA SER A 15 21.100 -2.444 31.847 1.00 26.20 C ATOM 229 C SER A 15 20.516 -2.215 33.264 1.00 29.30 C ATOM 230 O SER A 15 19.648 -1.358 33.456 1.00 29.15 O ATOM 231 CB SER A 15 20.272 -3.505 31.129 1.00 25.87 C ATOM 232 OG SER A 15 20.968 -4.057 30.033 1.00 26.22 O ATOM 233 HA SER A 15 21.054 -1.489 31.323 1.00 0.00 H ATOM 234 HB2 SER A 15 19.350 -3.050 30.769 1.00 0.00 H ATOM 235 HB3 SER A 15 20.032 -4.302 31.833 1.00 0.00 H ATOM 236 HG SER A 15 21.185 -3.340 29.386 1.00 0.00 H ATOM 237 H SER A 15 22.729 -3.846 31.643 1.00 0.00 H ATOM 238 N SER A 16 21.012 -2.975 34.239 1.00 32.96 N ATOM 239 CA SER A 16 20.557 -2.909 35.634 1.00 38.42 C ATOM 240 C SER A 16 20.324 -1.518 36.226 1.00 41.94 C ATOM 241 O SER A 16 19.579 -1.369 37.202 1.00 44.14 O ATOM 242 CB SER A 16 21.530 -3.678 36.531 1.00 37.31 C ATOM 243 OG SER A 16 21.541 -5.055 36.188 1.00 39.19 O ATOM 244 HA SER A 16 19.566 -3.361 35.605 1.00 0.00 H ATOM 245 HB2 SER A 16 21.222 -3.570 37.571 1.00 0.00 H ATOM 246 HB3 SER A 16 22.533 -3.269 36.406 1.00 0.00 H ATOM 247 HG SER A 16 22.175 -5.536 36.777 1.00 0.00 H ATOM 248 H SER A 16 21.763 -3.653 33.999 1.00 0.00 H ATOM 249 N THR A 17 20.962 -0.504 35.656 1.00 44.29 N ATOM 250 CA THR A 17 20.785 0.856 36.149 1.00 45.13 C ATOM 251 C THR A 17 20.344 1.761 35.002 1.00 46.05 C ATOM 252 O THR A 17 20.263 1.321 33.855 1.00 44.48 O ATOM 253 CB THR A 17 22.101 1.398 36.810 1.00 45.02 C ATOM 254 OG1 THR A 17 21.779 2.463 37.718 1.00 44.66 O ATOM 255 CG2 THR A 17 23.092 1.896 35.758 1.00 42.37 C ATOM 256 HA THR A 17 20.013 0.850 36.918 1.00 0.00 H ATOM 257 HB THR A 17 22.572 0.578 37.352 1.00 0.00 H ATOM 258 HG1 THR A 17 22.611 2.803 38.134 1.00 0.00 H ATOM 259 HG23 THR A 17 23.332 1.083 35.073 1.00 0.00 H ATOM 260 HG21 THR A 17 22.646 2.721 35.203 1.00 0.00 H ATOM 261 HG22 THR A 17 24.002 2.238 36.251 1.00 0.00 H ATOM 262 H THR A 17 21.594 -0.681 34.850 1.00 0.00 H ATOM 263 N SER A 18 20.038 3.014 35.325 1.00 46.97 N ATOM 264 CA SER A 18 19.606 3.986 34.329 1.00 48.21 C ATOM 265 C SER A 18 20.670 5.064 34.070 1.00 49.60 C ATOM 266 O SER A 18 20.838 5.511 32.939 1.00 49.58 O ATOM 267 CB SER A 18 18.274 4.633 34.767 1.00 49.66 C ATOM 268 OG SER A 18 18.454 5.870 35.448 1.00 49.17 O ATOM 269 HA SER A 18 19.457 3.453 33.390 1.00 0.00 H ATOM 270 HB2 SER A 18 17.754 3.943 35.431 1.00 0.00 H ATOM 271 HB3 SER A 18 17.665 4.810 33.880 1.00 0.00 H ATOM 272 HG SER A 18 17.570 6.236 35.703 1.00 0.00 H ATOM 273 H SER A 18 20.109 3.310 36.320 1.00 0.00 H ATOM 274 N ALA A 19 21.402 5.464 35.108 1.00 51.05 N ATOM 275 CA ALA A 19 22.425 6.497 34.962 1.00 52.44 C ATOM 276 C ALA A 19 23.733 6.132 35.638 1.00 53.55 C ATOM 277 O ALA A 19 23.868 5.046 36.210 1.00 54.11 O ATOM 278 CB ALA A 19 21.916 7.827 35.526 1.00 51.91 C ATOM 279 HA ALA A 19 22.624 6.590 33.894 1.00 0.00 H ATOM 280 HB1 ALA A 19 21.020 8.131 34.984 1.00 0.00 H ATOM 281 HB2 ALA A 19 21.679 7.705 36.583 1.00 0.00 H ATOM 282 HB3 ALA A 19 22.688 8.588 35.411 1.00 0.00 H ATOM 283 H ALA A 19 21.242 5.033 36.041 1.00 0.00 H ATOM 284 N ALA A 20 24.696 7.053 35.553 1.00 53.93 N ATOM 285 CA ALA A 20 26.005 6.872 36.165 1.00 52.59 C ATOM 286 C ALA A 20 25.709 6.563 37.605 1.00 52.14 C ATOM 287 O ALA A 20 25.273 7.450 38.343 1.00 51.36 O ATOM 288 CB ALA A 20 26.809 8.152 36.076 1.00 53.02 C ATOM 289 HA ALA A 20 26.584 6.090 35.674 1.00 0.00 H ATOM 290 HB1 ALA A 20 26.940 8.425 35.029 1.00 0.00 H ATOM 291 HB2 ALA A 20 26.279 8.949 36.597 1.00 0.00 H ATOM 292 HB3 ALA A 20 27.784 8.000 36.538 1.00 0.00 H ATOM 293 H ALA A 20 24.504 7.932 35.031 1.00 0.00 H ATOM 294 N SER A 21 25.921 5.309 37.994 1.00 52.25 N ATOM 295 CA SER A 21 25.657 4.877 39.366 1.00 52.41 C ATOM 296 C SER A 21 26.185 5.927 40.337 1.00 51.74 C ATOM 297 O SER A 21 25.481 6.897 40.639 1.00 54.96 O ATOM 298 CB SER A 21 26.304 3.509 39.629 1.00 52.37 C ATOM 299 OG SER A 21 26.511 3.255 41.007 1.00 48.29 O ATOM 300 HA SER A 21 24.582 4.771 39.513 1.00 0.00 H ATOM 301 HB2 SER A 21 27.267 3.475 39.120 1.00 0.00 H ATOM 302 HB3 SER A 21 25.654 2.733 39.225 1.00 0.00 H ATOM 303 HG SER A 21 26.928 2.364 41.118 1.00 0.00 H ATOM 304 H SER A 21 26.283 4.619 37.306 1.00 0.00 H ATOM 305 N SER A 22 27.414 5.754 40.821 1.00 49.23 N ATOM 306 CA SER A 22 27.999 6.723 41.746 1.00 45.52 C ATOM 307 C SER A 22 29.336 7.231 41.213 1.00 43.06 C ATOM 308 O SER A 22 29.782 6.826 40.134 1.00 41.43 O ATOM 309 CB SER A 22 28.170 6.098 43.142 1.00 46.33 C ATOM 310 OG SER A 22 29.530 5.870 43.477 1.00 45.14 O ATOM 311 HA SER A 22 27.322 7.573 41.832 1.00 0.00 H ATOM 312 HB2 SER A 22 27.640 5.146 43.165 1.00 0.00 H ATOM 313 HB3 SER A 22 27.737 6.771 43.881 1.00 0.00 H ATOM 314 HG SER A 22 29.583 5.469 44.381 1.00 0.00 H ATOM 315 H SER A 22 27.964 4.919 40.537 1.00 0.00 H ATOM 316 N SER A 23 29.962 8.128 41.970 1.00 39.66 N ATOM 317 CA SER A 23 31.243 8.689 41.587 1.00 34.08 C ATOM 318 C SER A 23 32.270 7.569 41.522 1.00 32.00 C ATOM 319 O SER A 23 33.309 7.698 40.874 1.00 29.66 O ATOM 320 CB SER A 23 31.672 9.745 42.604 1.00 33.95 C ATOM 321 OG SER A 23 32.422 10.761 41.967 1.00 34.93 O ATOM 322 HA SER A 23 31.163 9.165 40.610 1.00 0.00 H ATOM 323 HB2 SER A 23 32.283 9.276 43.375 1.00 0.00 H ATOM 324 HB3 SER A 23 30.786 10.185 43.062 1.00 0.00 H ATOM 325 HG SER A 23 32.693 11.438 42.636 1.00 0.00 H ATOM 326 H SER A 23 29.521 8.435 42.860 1.00 0.00 H ATOM 327 N ASN A 24 31.967 6.457 42.180 1.00 30.73 N ATOM 328 CA ASN A 24 32.881 5.321 42.191 1.00 31.74 C ATOM 329 C ASN A 24 32.362 4.140 41.363 1.00 28.88 C ATOM 330 O ASN A 24 32.811 3.006 41.536 1.00 27.09 O ATOM 331 CB ASN A 24 33.148 4.885 43.642 1.00 37.80 C ATOM 332 CG ASN A 24 34.635 5.014 44.041 1.00 43.67 C ATOM 333 OD1 ASN A 24 35.347 4.007 44.186 1.00 42.93 O ATOM 334 ND2 ASN A 24 35.101 6.257 44.225 1.00 43.40 N ATOM 335 HA ASN A 24 33.812 5.644 41.726 1.00 0.00 H ATOM 336 HB2 ASN A 24 32.553 5.509 44.309 1.00 0.00 H ATOM 337 HB3 ASN A 24 32.846 3.844 43.754 1.00 0.00 H ATOM 338 HD22 ASN A 24 34.471 7.074 44.093 1.00 0.00 H ATOM 339 HD21 ASN A 24 36.093 6.405 44.500 1.00 0.00 H ATOM 340 H ASN A 24 31.065 6.395 42.695 1.00 0.00 H ATOM 341 N TYR A 25 31.428 4.420 40.451 1.00 29.22 N ATOM 342 CA TYR A 25 30.845 3.384 39.584 1.00 26.23 C ATOM 343 C TYR A 25 31.907 2.735 38.717 1.00 22.58 C ATOM 344 O TYR A 25 31.980 1.515 38.639 1.00 21.16 O ATOM 345 CB TYR A 25 29.741 3.979 38.696 1.00 29.35 C ATOM 346 CG TYR A 25 29.227 3.068 37.575 1.00 32.49 C ATOM 347 CD1 TYR A 25 28.222 2.120 37.811 1.00 30.06 C ATOM 348 CD2 TYR A 25 29.722 3.184 36.264 1.00 33.12 C ATOM 349 CE1 TYR A 25 27.720 1.315 36.775 1.00 29.33 C ATOM 350 CE2 TYR A 25 29.224 2.378 35.219 1.00 31.33 C ATOM 351 CZ TYR A 25 28.224 1.448 35.484 1.00 30.15 C ATOM 352 OH TYR A 25 27.747 0.649 34.464 1.00 29.24 O ATOM 353 HA TYR A 25 30.410 2.620 40.229 1.00 0.00 H ATOM 354 HB3 TYR A 25 30.133 4.887 38.237 1.00 0.00 H ATOM 355 HB2 TYR A 25 28.896 4.232 39.336 1.00 0.00 H ATOM 356 HD2 TYR A 25 30.506 3.911 36.051 1.00 0.00 H ATOM 357 HE2 TYR A 25 29.621 2.483 34.209 1.00 0.00 H ATOM 358 HE1 TYR A 25 26.936 0.586 36.982 1.00 0.00 H ATOM 359 HD1 TYR A 25 27.822 2.005 38.818 1.00 0.00 H ATOM 360 HH TYR A 25 27.045 0.048 34.818 1.00 0.00 H ATOM 361 H TYR A 25 31.102 5.402 40.350 1.00 0.00 H ATOM 362 N CYS A 26 32.745 3.551 38.085 1.00 21.59 N ATOM 363 CA CYS A 26 33.786 3.016 37.223 1.00 22.36 C ATOM 364 C CYS A 26 34.820 2.193 37.982 1.00 24.09 C ATOM 365 O CYS A 26 35.262 1.138 37.506 1.00 23.82 O ATOM 366 CB CYS A 26 34.449 4.145 36.458 1.00 20.43 C ATOM 367 SG CYS A 26 33.406 4.751 35.085 1.00 21.80 S ATOM 368 HA CYS A 26 33.308 2.332 36.522 1.00 0.00 H ATOM 369 HB2 CYS A 26 35.394 3.786 36.050 1.00 0.00 H ATOM 370 HB3 CYS A 26 34.641 4.970 37.144 1.00 0.00 H ATOM 371 H CYS A 26 32.655 4.580 38.208 1.00 0.00 H ATOM 372 N ASN A 27 35.205 2.658 39.167 1.00 25.00 N ATOM 373 CA ASN A 27 36.166 1.907 39.958 1.00 26.30 C ATOM 374 C ASN A 27 35.613 0.506 40.226 1.00 26.94 C ATOM 375 O ASN A 27 36.307 -0.498 40.048 1.00 26.42 O ATOM 376 CB ASN A 27 36.449 2.644 41.259 1.00 27.97 C ATOM 377 CG ASN A 27 37.001 4.026 41.014 1.00 30.78 C ATOM 378 OD1 ASN A 27 37.636 4.273 39.985 1.00 31.77 O ATOM 379 ND2 ASN A 27 36.759 4.941 41.944 1.00 31.16 N ATOM 380 HA ASN A 27 37.105 1.811 39.413 1.00 0.00 H ATOM 381 HB2 ASN A 27 35.521 2.730 41.825 1.00 0.00 H ATOM 382 HB3 ASN A 27 37.174 2.072 41.838 1.00 0.00 H ATOM 383 HD22 ASN A 27 36.219 4.687 42.796 1.00 0.00 H ATOM 384 HD21 ASN A 27 37.109 5.912 41.821 1.00 0.00 H ATOM 385 H ASN A 27 34.820 3.555 39.526 1.00 0.00 H ATOM 386 N GLN A 28 34.350 0.447 40.631 1.00 30.10 N ATOM 387 CA GLN A 28 33.691 -0.831 40.901 1.00 31.77 C ATOM 388 C GLN A 28 33.413 -1.631 39.632 1.00 30.83 C ATOM 389 O GLN A 28 33.816 -2.787 39.522 1.00 31.41 O ATOM 390 CB GLN A 28 32.365 -0.604 41.612 1.00 35.12 C ATOM 391 CG GLN A 28 31.640 -1.901 41.977 1.00 42.99 C ATOM 392 CD GLN A 28 30.406 -2.175 41.117 1.00 45.96 C ATOM 393 OE1 GLN A 28 29.396 -1.469 41.203 1.00 48.31 O ATOM 394 NE2 GLN A 28 30.487 -3.212 40.291 1.00 49.95 N ATOM 395 HA GLN A 28 34.379 -1.399 41.527 1.00 0.00 H ATOM 396 HB2 GLN A 28 32.555 -0.045 42.528 1.00 0.00 H ATOM 397 HB3 GLN A 28 31.718 -0.019 40.958 1.00 0.00 H ATOM 398 HG2 GLN A 28 32.336 -2.731 41.856 1.00 0.00 H ATOM 399 HG3 GLN A 28 31.327 -1.840 43.019 1.00 0.00 H ATOM 400 HE22 GLN A 28 31.358 -3.779 40.252 1.00 0.00 H ATOM 401 HE21 GLN A 28 29.679 -3.457 39.683 1.00 0.00 H ATOM 402 H GLN A 28 33.816 1.330 40.759 1.00 0.00 H ATOM 403 N MET A 29 32.715 -1.007 38.683 1.00 29.29 N ATOM 404 CA MET A 29 32.353 -1.647 37.414 1.00 28.53 C ATOM 405 C MET A 29 33.548 -2.175 36.618 1.00 27.15 C ATOM 406 O MET A 29 33.508 -3.273 36.065 1.00 23.93 O ATOM 407 CB MET A 29 31.561 -0.661 36.547 1.00 29.16 C ATOM 408 CG MET A 29 30.267 -1.215 35.970 1.00 31.55 C ATOM 409 SD MET A 29 29.305 -2.128 37.173 1.00 30.05 S ATOM 410 CE MET A 29 29.877 -3.726 36.857 1.00 28.89 C ATOM 411 HA MET A 29 31.748 -2.515 37.675 1.00 0.00 H ATOM 412 HB2 MET A 29 31.315 0.207 37.159 1.00 0.00 H ATOM 413 HB3 MET A 29 32.197 -0.352 35.718 1.00 0.00 H ATOM 414 HG2 MET A 29 30.511 -1.880 35.142 1.00 0.00 H ATOM 415 HG3 MET A 29 29.666 -0.384 35.601 1.00 0.00 H ATOM 416 HE1 MET A 29 29.661 -3.990 35.822 1.00 0.00 H ATOM 417 HE2 MET A 29 30.953 -3.765 37.026 1.00 0.00 H ATOM 418 HE3 MET A 29 29.377 -4.428 37.524 1.00 0.00 H ATOM 419 H MET A 29 32.415 -0.025 38.849 1.00 0.00 H ATOM 420 N MET A 30 34.604 -1.373 36.545 1.00 27.37 N ATOM 421 CA MET A 30 35.795 -1.764 35.823 1.00 26.82 C ATOM 422 C MET A 30 36.446 -3.014 36.444 1.00 29.24 C ATOM 423 O MET A 30 36.996 -3.864 35.738 1.00 25.65 O ATOM 424 CB MET A 30 36.770 -0.586 35.811 1.00 25.79 C ATOM 425 CG MET A 30 36.319 0.577 34.924 1.00 24.78 C ATOM 426 SD MET A 30 36.152 0.112 33.167 1.00 24.57 S ATOM 427 CE MET A 30 37.830 -0.359 32.765 1.00 23.48 C ATOM 428 HA MET A 30 35.524 -2.026 34.800 1.00 0.00 H ATOM 429 HB2 MET A 30 36.879 -0.219 36.831 1.00 0.00 H ATOM 430 HB3 MET A 30 37.735 -0.941 35.449 1.00 0.00 H ATOM 431 HG2 MET A 30 37.053 1.379 35.003 1.00 0.00 H ATOM 432 HG3 MET A 30 35.353 0.933 35.282 1.00 0.00 H ATOM 433 HE1 MET A 30 38.493 0.491 32.926 1.00 0.00 H ATOM 434 HE2 MET A 30 38.137 -1.187 33.404 1.00 0.00 H ATOM 435 HE3 MET A 30 37.879 -0.667 31.721 1.00 0.00 H ATOM 436 H MET A 30 34.574 -0.446 37.016 1.00 0.00 H ATOM 437 N LYS A 31 36.359 -3.115 37.770 1.00 31.19 N ATOM 438 CA LYS A 31 36.925 -4.230 38.526 1.00 31.93 C ATOM 439 C LYS A 31 36.034 -5.471 38.483 1.00 31.76 C ATOM 440 O LYS A 31 36.513 -6.594 38.360 1.00 31.54 O ATOM 441 CB LYS A 31 37.122 -3.808 39.980 1.00 35.41 C ATOM 442 CG LYS A 31 37.555 -4.936 40.924 1.00 38.81 C ATOM 443 CD LYS A 31 38.859 -4.562 41.627 1.00 39.14 C ATOM 444 CE LYS A 31 38.756 -4.717 43.133 1.00 39.68 C ATOM 445 NZ LYS A 31 39.942 -4.143 43.859 1.00 40.26 N ATOM 446 HA LYS A 31 37.878 -4.488 38.065 1.00 0.00 H ATOM 447 HB2 LYS A 31 37.886 -3.031 40.007 1.00 0.00 H ATOM 448 HB3 LYS A 31 36.179 -3.402 40.346 1.00 0.00 H ATOM 449 HG2 LYS A 31 36.777 -5.100 41.670 1.00 0.00 H ATOM 450 HG3 LYS A 31 37.704 -5.850 40.349 1.00 0.00 H ATOM 451 HD2 LYS A 31 39.656 -5.209 41.260 1.00 0.00 H ATOM 452 HD3 LYS A 31 39.099 -3.524 41.395 1.00 0.00 H ATOM 453 HE2 LYS A 31 38.682 -5.778 43.370 1.00 0.00 H ATOM 454 HE3 LYS A 31 37.856 -4.206 43.476 1.00 0.00 H ATOM 455 HZ1 LYS A 31 40.807 -4.629 43.547 1.00 0.00 H ATOM 456 HZ2 LYS A 31 40.018 -3.128 43.647 1.00 0.00 H ATOM 457 HZ3 LYS A 31 39.818 -4.277 44.883 1.00 0.00 H ATOM 458 H LYS A 31 35.864 -2.364 38.292 1.00 0.00 H ATOM 459 N SER A 32 34.731 -5.253 38.587 1.00 31.67 N ATOM 460 CA SER A 32 33.766 -6.340 38.571 1.00 30.21 C ATOM 461 C SER A 32 33.747 -7.083 37.249 1.00 29.95 C ATOM 462 O SER A 32 33.672 -8.309 37.213 1.00 32.05 O ATOM 463 CB SER A 32 32.374 -5.787 38.852 1.00 30.57 C ATOM 464 OG SER A 32 32.161 -4.588 38.131 1.00 31.60 O ATOM 465 HA SER A 32 34.065 -7.049 39.343 1.00 0.00 H ATOM 466 HB2 SER A 32 32.276 -5.586 39.919 1.00 0.00 H ATOM 467 HB3 SER A 32 31.628 -6.523 38.552 1.00 0.00 H ATOM 468 HG SER A 32 32.835 -3.916 38.404 1.00 0.00 H ATOM 469 H SER A 32 34.389 -4.276 38.683 1.00 0.00 H ATOM 470 N ARG A 33 33.815 -6.335 36.157 1.00 29.50 N ATOM 471 CA ARG A 33 33.769 -6.925 34.828 1.00 28.55 C ATOM 472 C ARG A 33 35.099 -7.459 34.312 1.00 30.01 C ATOM 473 O ARG A 33 35.199 -7.881 33.155 1.00 28.51 O ATOM 474 CB ARG A 33 33.185 -5.903 33.861 1.00 26.46 C ATOM 475 CG ARG A 33 31.772 -5.513 34.243 1.00 24.93 C ATOM 476 CD ARG A 33 30.811 -6.700 34.086 1.00 19.64 C ATOM 477 NE ARG A 33 29.421 -6.307 34.326 1.00 22.50 N ATOM 478 CZ ARG A 33 28.649 -5.669 33.443 1.00 20.21 C ATOM 479 NH1 ARG A 33 29.130 -5.350 32.248 1.00 20.05 N ATOM 480 NH2 ARG A 33 27.404 -5.326 33.766 1.00 17.85 N ATOM 481 HA ARG A 33 33.135 -7.808 34.901 1.00 0.00 H ATOM 482 HB2 ARG A 33 33.812 -5.011 33.868 1.00 0.00 H ATOM 483 HB3 ARG A 33 33.175 -6.331 32.858 1.00 0.00 H ATOM 484 HG2 ARG A 33 31.762 -5.181 35.281 1.00 0.00 H ATOM 485 HG3 ARG A 33 31.441 -4.698 33.599 1.00 0.00 H ATOM 486 HD2 ARG A 33 31.087 -7.476 34.800 1.00 0.00 H ATOM 487 HD3 ARG A 33 30.897 -7.093 33.073 1.00 0.00 H ATOM 488 HE ARG A 33 29.005 -6.542 35.250 1.00 0.00 H ATOM 489 HH12 ARG A 33 28.528 -4.853 31.561 1.00 0.00 H ATOM 490 HH11 ARG A 33 30.109 -5.597 31.999 1.00 0.00 H ATOM 491 HH22 ARG A 33 26.806 -4.829 33.075 1.00 0.00 H ATOM 492 HH21 ARG A 33 27.030 -5.555 34.709 1.00 0.00 H ATOM 493 H ARG A 33 33.903 -5.303 36.252 1.00 0.00 H ATOM 494 N ASN A 34 36.116 -7.439 35.176 1.00 32.19 N ATOM 495 CA ASN A 34 37.451 -7.941 34.849 1.00 32.70 C ATOM 496 C ASN A 34 38.217 -7.159 33.784 1.00 31.47 C ATOM 497 O ASN A 34 38.845 -7.763 32.919 1.00 32.33 O ATOM 498 CB ASN A 34 37.367 -9.403 34.394 1.00 36.48 C ATOM 499 CG ASN A 34 37.107 -10.365 35.538 1.00 41.81 C ATOM 500 OD1 ASN A 34 36.126 -10.228 36.277 1.00 44.33 O ATOM 501 ND2 ASN A 34 37.986 -11.357 35.685 1.00 43.59 N ATOM 502 HA ASN A 34 38.011 -7.823 35.776 1.00 0.00 H ATOM 503 HB2 ASN A 34 36.557 -9.496 33.670 1.00 0.00 H ATOM 504 HB3 ASN A 34 38.310 -9.674 33.919 1.00 0.00 H ATOM 505 HD22 ASN A 34 38.797 -11.433 35.039 1.00 0.00 H ATOM 506 HD21 ASN A 34 37.860 -12.055 36.446 1.00 0.00 H ATOM 507 H ASN A 34 35.952 -7.048 36.126 1.00 0.00 H ATOM 508 N LEU A 35 38.189 -5.833 33.832 1.00 30.97 N ATOM 509 CA LEU A 35 38.917 -5.061 32.826 1.00 30.48 C ATOM 510 C LEU A 35 40.183 -4.414 33.382 1.00 31.80 C ATOM 511 O LEU A 35 40.817 -3.613 32.710 1.00 31.60 O ATOM 512 CB LEU A 35 38.008 -3.985 32.233 1.00 29.40 C ATOM 513 CG LEU A 35 36.591 -4.451 31.899 1.00 26.10 C ATOM 514 CD1 LEU A 35 35.711 -3.246 31.590 1.00 24.22 C ATOM 515 CD2 LEU A 35 36.644 -5.426 30.731 1.00 24.38 C ATOM 516 HA LEU A 35 39.225 -5.762 32.050 1.00 0.00 H ATOM 517 HB2 LEU A 35 37.936 -3.169 32.952 1.00 0.00 H ATOM 518 HB3 LEU A 35 38.469 -3.620 31.316 1.00 0.00 H ATOM 519 HG LEU A 35 36.154 -4.968 32.753 1.00 0.00 H ATOM 520 HD21 LEU A 35 37.079 -4.929 29.864 1.00 0.00 H ATOM 521 HD22 LEU A 35 37.256 -6.285 31.004 1.00 0.00 H ATOM 522 HD23 LEU A 35 35.634 -5.759 30.492 1.00 0.00 H ATOM 523 HD11 LEU A 35 35.680 -2.588 32.459 1.00 0.00 H ATOM 524 HD12 LEU A 35 36.124 -2.705 30.738 1.00 0.00 H ATOM 525 HD13 LEU A 35 34.703 -3.585 31.353 1.00 0.00 H ATOM 526 H LEU A 35 37.653 -5.347 34.579 1.00 0.00 H ATOM 527 N THR A 36 40.540 -4.778 34.609 1.00 36.69 N ATOM 528 CA THR A 36 41.722 -4.248 35.294 1.00 39.13 C ATOM 529 C THR A 36 42.645 -5.369 35.791 1.00 41.96 C ATOM 530 O THR A 36 43.560 -5.132 36.579 1.00 43.00 O ATOM 531 CB THR A 36 41.305 -3.379 36.506 1.00 37.72 C ATOM 532 OG1 THR A 36 40.637 -4.186 37.490 1.00 34.32 O ATOM 533 CG2 THR A 36 40.372 -2.269 36.052 1.00 39.09 C ATOM 534 HA THR A 36 42.263 -3.643 34.566 1.00 0.00 H ATOM 535 HB THR A 36 42.203 -2.944 36.946 1.00 0.00 H ATOM 536 HG1 THR A 36 41.248 -4.901 37.799 1.00 0.00 H ATOM 537 HG23 THR A 36 40.876 -1.655 35.305 1.00 0.00 H ATOM 538 HG21 THR A 36 39.473 -2.707 35.618 1.00 0.00 H ATOM 539 HG22 THR A 36 40.100 -1.652 36.908 1.00 0.00 H ATOM 540 H THR A 36 39.951 -5.474 35.109 1.00 0.00 H ATOM 541 N LYS A 37 42.399 -6.584 35.311 1.00 43.64 N ATOM 542 CA LYS A 37 43.166 -7.762 35.703 1.00 45.59 C ATOM 543 C LYS A 37 44.611 -7.801 35.195 1.00 45.20 C ATOM 544 O LYS A 37 45.531 -8.036 35.963 1.00 45.76 O ATOM 545 CB LYS A 37 42.424 -9.024 35.234 1.00 48.95 C ATOM 546 CG LYS A 37 42.514 -10.216 36.180 1.00 51.25 C ATOM 547 CD LYS A 37 43.528 -11.238 35.671 1.00 55.33 C ATOM 548 CE LYS A 37 43.985 -12.198 36.778 1.00 58.91 C ATOM 549 NZ LYS A 37 43.081 -13.392 36.933 1.00 59.79 N ATOM 550 HA LYS A 37 43.244 -7.715 36.789 1.00 0.00 H ATOM 551 HB2 LYS A 37 41.371 -8.770 35.109 1.00 0.00 H ATOM 552 HB3 LYS A 37 42.841 -9.323 34.272 1.00 0.00 H ATOM 553 HG2 LYS A 37 42.822 -9.868 37.166 1.00 0.00 H ATOM 554 HG3 LYS A 37 41.535 -10.689 36.253 1.00 0.00 H ATOM 555 HD2 LYS A 37 43.071 -11.818 34.869 1.00 0.00 H ATOM 556 HD3 LYS A 37 44.398 -10.708 35.284 1.00 0.00 H ATOM 557 HE2 LYS A 37 44.007 -11.654 37.722 1.00 0.00 H ATOM 558 HE3 LYS A 37 44.988 -12.551 36.540 1.00 0.00 H ATOM 559 HZ1 LYS A 37 42.121 -13.070 37.170 1.00 0.00 H ATOM 560 HZ2 LYS A 37 43.058 -13.926 36.041 1.00 0.00 H ATOM 561 HZ3 LYS A 37 43.442 -14.002 37.694 1.00 0.00 H ATOM 562 H LYS A 37 41.625 -6.700 34.626 1.00 0.00 H ATOM 563 N ASP A 38 44.806 -7.578 33.900 1.00 46.70 N ATOM 564 CA ASP A 38 46.141 -7.621 33.301 1.00 46.26 C ATOM 565 C ASP A 38 46.765 -6.232 33.072 1.00 45.99 C ATOM 566 O ASP A 38 47.965 -6.116 32.761 1.00 44.23 O ATOM 567 CB ASP A 38 46.083 -8.391 31.969 1.00 47.19 C ATOM 568 CG ASP A 38 45.750 -9.885 32.152 1.00 48.10 C ATOM 569 OD1 ASP A 38 45.380 -10.301 33.274 1.00 49.39 O ATOM 570 OD2 ASP A 38 45.860 -10.649 31.165 1.00 48.80 O ATOM 571 HA ASP A 38 46.785 -8.132 34.017 1.00 0.00 H ATOM 572 HB2 ASP A 38 45.317 -7.939 31.339 1.00 0.00 H ATOM 573 HB3 ASP A 38 47.052 -8.308 31.477 1.00 0.00 H ATOM 574 H ASP A 38 43.987 -7.367 33.295 1.00 0.00 H ATOM 575 N ARG A 39 45.944 -5.190 33.223 1.00 44.23 N ATOM 576 CA ARG A 39 46.371 -3.798 33.039 1.00 40.97 C ATOM 577 C ARG A 39 45.186 -2.843 33.102 1.00 39.55 C ATOM 578 O ARG A 39 44.111 -3.139 32.591 1.00 40.82 O ATOM 579 CB ARG A 39 47.065 -3.611 31.688 1.00 39.94 C ATOM 580 CG ARG A 39 46.253 -2.774 30.723 1.00 39.72 C ATOM 581 CD ARG A 39 47.100 -2.157 29.642 1.00 39.35 C ATOM 582 NE ARG A 39 46.280 -1.624 28.555 1.00 39.43 N ATOM 583 CZ ARG A 39 45.246 -2.264 28.009 1.00 41.38 C ATOM 584 NH1 ARG A 39 44.899 -3.469 28.449 1.00 43.34 N ATOM 585 NH2 ARG A 39 44.558 -1.703 27.021 1.00 39.56 N ATOM 586 HA ARG A 39 47.066 -3.573 33.848 1.00 0.00 H ATOM 587 HB2 ARG A 39 48.024 -3.120 31.854 1.00 0.00 H ATOM 588 HB3 ARG A 39 47.232 -4.592 31.243 1.00 0.00 H ATOM 589 HG2 ARG A 39 45.499 -3.409 30.257 1.00 0.00 H ATOM 590 HG3 ARG A 39 45.761 -1.977 31.280 1.00 0.00 H ATOM 591 HD2 ARG A 39 47.770 -2.917 29.240 1.00 0.00 H ATOM 592 HD3 ARG A 39 47.688 -1.346 30.072 1.00 0.00 H ATOM 593 HE ARG A 39 46.519 -0.683 28.183 1.00 0.00 H ATOM 594 HH12 ARG A 39 44.092 -3.966 28.021 1.00 0.00 H ATOM 595 HH11 ARG A 39 45.435 -3.915 29.221 1.00 0.00 H ATOM 596 HH22 ARG A 39 43.752 -2.206 26.598 1.00 0.00 H ATOM 597 HH21 ARG A 39 44.825 -0.761 26.671 1.00 0.00 H ATOM 598 H ARG A 39 44.954 -5.374 33.484 1.00 0.00 H ATOM 599 N CYS A 40 45.386 -1.687 33.714 1.00 38.11 N ATOM 600 CA CYS A 40 44.316 -0.704 33.795 1.00 37.11 C ATOM 601 C CYS A 40 43.786 -0.349 32.401 1.00 35.48 C ATOM 602 O CYS A 40 44.406 0.418 31.658 1.00 34.06 O ATOM 603 CB CYS A 40 44.810 0.576 34.470 1.00 35.79 C ATOM 604 SG CYS A 40 45.274 0.431 36.223 1.00 33.98 S ATOM 605 HA CYS A 40 43.513 -1.147 34.385 1.00 0.00 H ATOM 606 HB2 CYS A 40 44.016 1.319 34.396 1.00 0.00 H ATOM 607 HB3 CYS A 40 45.685 0.925 33.922 1.00 0.00 H ATOM 608 H CYS A 40 46.312 -1.480 34.139 1.00 0.00 H ATOM 609 N LYS A 41 42.642 -0.920 32.048 1.00 33.83 N ATOM 610 CA LYS A 41 42.025 -0.619 30.771 1.00 32.46 C ATOM 611 C LYS A 41 41.858 0.896 30.805 1.00 30.51 C ATOM 612 O LYS A 41 41.106 1.423 31.622 1.00 31.01 O ATOM 613 CB LYS A 41 40.663 -1.315 30.680 1.00 33.30 C ATOM 614 CG LYS A 41 39.984 -1.247 29.328 1.00 33.86 C ATOM 615 CD LYS A 41 39.364 -2.590 28.973 1.00 37.91 C ATOM 616 CE LYS A 41 39.119 -2.696 27.478 1.00 42.26 C ATOM 617 NZ LYS A 41 38.418 -1.482 26.955 1.00 44.36 N ATOM 618 HA LYS A 41 42.607 -0.956 29.913 1.00 0.00 H ATOM 619 HB2 LYS A 41 40.805 -2.366 30.932 1.00 0.00 H ATOM 620 HB3 LYS A 41 40.000 -0.854 31.412 1.00 0.00 H ATOM 621 HG2 LYS A 41 39.203 -0.488 29.357 1.00 0.00 H ATOM 622 HG3 LYS A 41 40.720 -0.980 28.570 1.00 0.00 H ATOM 623 HD2 LYS A 41 40.039 -3.388 29.282 1.00 0.00 H ATOM 624 HD3 LYS A 41 38.415 -2.695 29.499 1.00 0.00 H ATOM 625 HE2 LYS A 41 38.505 -3.574 27.280 1.00 0.00 H ATOM 626 HE3 LYS A 41 40.076 -2.801 26.968 1.00 0.00 H ATOM 627 HZ1 LYS A 41 37.501 -1.379 27.435 1.00 0.00 H ATOM 628 HZ2 LYS A 41 39.002 -0.641 27.136 1.00 0.00 H ATOM 629 HZ3 LYS A 41 38.265 -1.585 25.931 1.00 0.00 H ATOM 630 H LYS A 41 42.182 -1.592 32.695 1.00 0.00 H ATOM 631 N PRO A 42 42.592 1.616 29.945 1.00 30.15 N ATOM 632 CA PRO A 42 42.535 3.083 29.871 1.00 28.68 C ATOM 633 C PRO A 42 41.136 3.729 29.779 1.00 29.61 C ATOM 634 O PRO A 42 40.802 4.626 30.560 1.00 28.94 O ATOM 635 CB PRO A 42 43.400 3.427 28.651 1.00 28.72 C ATOM 636 CG PRO A 42 43.725 2.122 27.968 1.00 29.07 C ATOM 637 CD PRO A 42 43.564 1.045 28.993 1.00 30.37 C ATOM 638 HA PRO A 42 42.891 3.499 30.813 1.00 0.00 H ATOM 639 HD3 PRO A 42 43.177 0.132 28.541 1.00 0.00 H ATOM 640 HD2 PRO A 42 44.512 0.831 29.486 1.00 0.00 H ATOM 641 HG3 PRO A 42 44.750 2.137 27.597 1.00 0.00 H ATOM 642 HG2 PRO A 42 43.042 1.953 27.136 1.00 0.00 H ATOM 643 HB2 PRO A 42 42.851 4.080 27.973 1.00 0.00 H ATOM 644 HB3 PRO A 42 44.317 3.924 28.968 1.00 0.00 H ATOM 645 N VAL A 43 40.330 3.288 28.818 1.00 28.06 N ATOM 646 CA VAL A 43 38.988 3.853 28.624 1.00 27.48 C ATOM 647 C VAL A 43 37.953 2.782 28.300 1.00 24.25 C ATOM 648 O VAL A 43 38.156 1.954 27.399 1.00 22.32 O ATOM 649 CB VAL A 43 38.977 4.886 27.453 1.00 29.27 C ATOM 650 CG1 VAL A 43 39.648 4.282 26.225 1.00 30.23 C ATOM 651 CG2 VAL A 43 37.545 5.287 27.095 1.00 27.41 C ATOM 652 HA VAL A 43 38.730 4.336 29.566 1.00 0.00 H ATOM 653 HB VAL A 43 39.522 5.773 27.776 1.00 0.00 H ATOM 654 HG11 VAL A 43 40.678 4.021 26.467 1.00 0.00 H ATOM 655 HG12 VAL A 43 39.107 3.386 25.921 1.00 0.00 H ATOM 656 HG13 VAL A 43 39.637 5.008 25.412 1.00 0.00 H ATOM 657 HG21 VAL A 43 36.987 4.402 26.789 1.00 0.00 H ATOM 658 HG22 VAL A 43 37.067 5.737 27.965 1.00 0.00 H ATOM 659 HG23 VAL A 43 37.564 6.007 26.277 1.00 0.00 H ATOM 660 H VAL A 43 40.657 2.526 28.190 1.00 0.00 H ATOM 661 N ASN A 44 36.837 2.799 29.020 1.00 21.80 N ATOM 662 CA ASN A 44 35.787 1.820 28.752 1.00 18.16 C ATOM 663 C ASN A 44 34.396 2.413 28.922 1.00 17.38 C ATOM 664 O ASN A 44 34.153 3.184 29.848 1.00 19.31 O ATOM 665 CB ASN A 44 35.941 0.607 29.662 1.00 17.56 C ATOM 666 CG ASN A 44 35.031 -0.536 29.251 1.00 19.94 C ATOM 667 OD1 ASN A 44 35.181 -1.103 28.172 1.00 18.41 O ATOM 668 ND2 ASN A 44 34.079 -0.874 30.110 1.00 19.85 N ATOM 669 HA ASN A 44 35.897 1.512 27.712 1.00 0.00 H ATOM 670 HB2 ASN A 44 36.975 0.265 29.620 1.00 0.00 H ATOM 671 HB3 ASN A 44 35.698 0.900 30.683 1.00 0.00 H ATOM 672 HD22 ASN A 44 33.989 -0.366 31.013 1.00 0.00 H ATOM 673 HD21 ASN A 44 33.422 -1.647 29.881 1.00 0.00 H ATOM 674 H ASN A 44 36.711 3.507 29.772 1.00 0.00 H ATOM 675 N THR A 45 33.485 2.041 28.027 1.00 16.36 N ATOM 676 CA THR A 45 32.111 2.546 28.062 1.00 17.53 C ATOM 677 C THR A 45 31.069 1.457 28.401 1.00 15.74 C ATOM 678 O THR A 45 31.071 0.372 27.805 1.00 14.94 O ATOM 679 CB THR A 45 31.735 3.194 26.694 1.00 13.92 C ATOM 680 OG1 THR A 45 32.577 4.332 26.448 1.00 13.10 O ATOM 681 CG2 THR A 45 30.269 3.630 26.693 1.00 18.39 C ATOM 682 HA THR A 45 32.084 3.288 28.860 1.00 0.00 H ATOM 683 HB THR A 45 31.882 2.455 25.906 1.00 0.00 H ATOM 684 HG1 THR A 45 32.452 4.996 27.171 1.00 0.00 H ATOM 685 HG23 THR A 45 29.634 2.764 26.880 1.00 0.00 H ATOM 686 HG21 THR A 45 30.112 4.373 27.475 1.00 0.00 H ATOM 687 HG22 THR A 45 30.020 4.062 25.724 1.00 0.00 H ATOM 688 H THR A 45 33.757 1.371 27.280 1.00 0.00 H ATOM 689 N PHE A 46 30.199 1.751 29.371 1.00 16.33 N ATOM 690 CA PHE A 46 29.113 0.834 29.762 1.00 17.14 C ATOM 691 C PHE A 46 27.816 1.495 29.274 1.00 15.83 C ATOM 692 O PHE A 46 27.628 2.703 29.437 1.00 16.08 O ATOM 693 CB PHE A 46 29.071 0.635 31.288 1.00 18.64 C ATOM 694 CG PHE A 46 30.177 -0.252 31.812 1.00 20.65 C ATOM 695 CD1 PHE A 46 30.108 -1.638 31.670 1.00 18.96 C ATOM 696 CD2 PHE A 46 31.318 0.302 32.399 1.00 21.62 C ATOM 697 CE1 PHE A 46 31.159 -2.457 32.094 1.00 17.11 C ATOM 698 CE2 PHE A 46 32.380 -0.522 32.831 1.00 17.85 C ATOM 699 CZ PHE A 46 32.294 -1.897 32.672 1.00 16.74 C ATOM 700 HA PHE A 46 29.258 -0.154 29.325 1.00 0.00 H ATOM 701 HB2 PHE A 46 29.156 1.611 31.766 1.00 0.00 H ATOM 702 HB3 PHE A 46 28.114 0.185 31.551 1.00 0.00 H ATOM 703 HD2 PHE A 46 31.389 1.382 32.525 1.00 0.00 H ATOM 704 HE2 PHE A 46 33.265 -0.079 33.288 1.00 0.00 H ATOM 705 HZ PHE A 46 33.113 -2.537 32.999 1.00 0.00 H ATOM 706 HE1 PHE A 46 31.089 -3.538 31.971 1.00 0.00 H ATOM 707 HD1 PHE A 46 29.222 -2.089 31.222 1.00 0.00 H ATOM 708 H PHE A 46 30.291 2.660 29.868 1.00 0.00 H ATOM 709 N VAL A 47 26.944 0.710 28.648 1.00 17.96 N ATOM 710 CA VAL A 47 25.683 1.233 28.121 1.00 17.43 C ATOM 711 C VAL A 47 24.514 0.754 28.979 1.00 17.98 C ATOM 712 O VAL A 47 24.405 -0.440 29.291 1.00 15.46 O ATOM 713 CB VAL A 47 25.443 0.779 26.666 1.00 17.02 C ATOM 714 CG1 VAL A 47 24.143 1.395 26.126 1.00 16.97 C ATOM 715 CG2 VAL A 47 26.631 1.177 25.791 1.00 16.58 C ATOM 716 HA VAL A 47 25.750 2.321 28.145 1.00 0.00 H ATOM 717 HB VAL A 47 25.344 -0.306 26.644 1.00 0.00 H ATOM 718 HG11 VAL A 47 23.305 1.072 26.744 1.00 0.00 H ATOM 719 HG12 VAL A 47 24.219 2.482 26.154 1.00 0.00 H ATOM 720 HG13 VAL A 47 23.986 1.066 25.099 1.00 0.00 H ATOM 721 HG21 VAL A 47 26.751 2.260 25.814 1.00 0.00 H ATOM 722 HG22 VAL A 47 27.536 0.702 26.171 1.00 0.00 H ATOM 723 HG23 VAL A 47 26.451 0.852 24.766 1.00 0.00 H ATOM 724 H VAL A 47 27.163 -0.300 28.530 1.00 0.00 H ATOM 725 N HIS A 48 23.648 1.700 29.347 1.00 19.81 N ATOM 726 CA HIS A 48 22.471 1.421 30.187 1.00 21.46 C ATOM 727 C HIS A 48 21.170 1.413 29.374 1.00 21.22 C ATOM 728 O HIS A 48 20.386 2.358 29.446 1.00 23.41 O ATOM 729 CB HIS A 48 22.376 2.467 31.301 1.00 19.91 C ATOM 730 CG HIS A 48 23.654 2.655 32.061 1.00 20.83 C ATOM 731 ND1 HIS A 48 24.334 1.608 32.645 1.00 23.52 N ATOM 732 CD2 HIS A 48 24.382 3.766 32.320 1.00 20.77 C ATOM 733 CE1 HIS A 48 25.427 2.067 33.230 1.00 25.56 C ATOM 734 NE2 HIS A 48 25.479 3.374 33.047 1.00 23.46 N ATOM 735 HA HIS A 48 22.598 0.426 30.614 1.00 0.00 H ATOM 736 HB2 HIS A 48 22.097 3.421 30.854 1.00 0.00 H ATOM 737 HB3 HIS A 48 21.601 2.155 32.001 1.00 0.00 H ATOM 738 HD2 HIS A 48 24.142 4.783 32.009 1.00 0.00 H ATOM 739 HE1 HIS A 48 26.160 1.469 33.771 1.00 0.00 H ATOM 740 H HIS A 48 23.811 2.676 29.027 1.00 0.00 H ATOM 741 N GLU A 49 20.969 0.343 28.610 1.00 20.07 N ATOM 742 CA GLU A 49 19.801 0.141 27.740 1.00 20.53 C ATOM 743 C GLU A 49 19.689 -1.379 27.587 1.00 21.10 C ATOM 744 O GLU A 49 20.681 -2.084 27.794 1.00 25.23 O ATOM 745 CB GLU A 49 20.028 0.786 26.362 1.00 21.05 C ATOM 746 CG GLU A 49 20.460 2.260 26.383 1.00 18.77 C ATOM 747 CD GLU A 49 19.327 3.185 26.752 1.00 17.65 C ATOM 748 OE1 GLU A 49 18.208 2.683 26.877 1.00 21.24 O ATOM 749 OE2 GLU A 49 19.545 4.403 26.925 1.00 19.03 O ATOM 750 HA GLU A 49 18.901 0.592 28.158 1.00 0.00 H ATOM 751 HB2 GLU A 49 20.802 0.216 25.848 1.00 0.00 H ATOM 752 HB3 GLU A 49 19.096 0.717 25.801 1.00 0.00 H ATOM 753 HG2 GLU A 49 21.262 2.380 27.111 1.00 0.00 H ATOM 754 HG3 GLU A 49 20.826 2.532 25.393 1.00 0.00 H ATOM 755 H GLU A 49 21.691 -0.406 28.629 1.00 0.00 H ATOM 756 N SER A 50 18.513 -1.891 27.231 1.00 17.85 N ATOM 757 CA SER A 50 18.329 -3.328 27.104 1.00 18.07 C ATOM 758 C SER A 50 19.330 -3.921 26.152 1.00 19.83 C ATOM 759 O SER A 50 19.841 -3.226 25.268 1.00 19.78 O ATOM 760 CB SER A 50 16.930 -3.652 26.586 1.00 18.27 C ATOM 761 OG SER A 50 16.801 -3.334 25.211 1.00 16.93 O ATOM 762 HA SER A 50 18.468 -3.756 28.097 1.00 0.00 H ATOM 763 HB2 SER A 50 16.199 -3.076 27.154 1.00 0.00 H ATOM 764 HB3 SER A 50 16.738 -4.716 26.724 1.00 0.00 H ATOM 765 HG SER A 50 15.885 -3.555 24.907 1.00 0.00 H ATOM 766 H SER A 50 17.714 -1.254 27.041 1.00 0.00 H ATOM 767 N LEU A 51 19.603 -5.210 26.327 1.00 20.04 N ATOM 768 CA LEU A 51 20.531 -5.899 25.442 1.00 21.08 C ATOM 769 C LEU A 51 19.954 -5.829 24.029 1.00 22.69 C ATOM 770 O LEU A 51 20.672 -5.677 23.038 1.00 23.23 O ATOM 771 CB LEU A 51 20.681 -7.356 25.873 1.00 19.91 C ATOM 772 CG LEU A 51 21.424 -8.294 24.926 1.00 18.27 C ATOM 773 CD1 LEU A 51 22.683 -7.633 24.420 1.00 15.97 C ATOM 774 CD2 LEU A 51 21.772 -9.578 25.658 1.00 20.39 C ATOM 775 HA LEU A 51 21.515 -5.432 25.479 1.00 0.00 H ATOM 776 HB2 LEU A 51 21.212 -7.363 26.825 1.00 0.00 H ATOM 777 HB3 LEU A 51 19.679 -7.760 26.015 1.00 0.00 H ATOM 778 HG LEU A 51 20.784 -8.524 24.074 1.00 0.00 H ATOM 779 HD21 LEU A 51 22.406 -9.346 26.514 1.00 0.00 H ATOM 780 HD22 LEU A 51 20.856 -10.058 26.002 1.00 0.00 H ATOM 781 HD23 LEU A 51 22.303 -10.248 24.982 1.00 0.00 H ATOM 782 HD11 LEU A 51 22.423 -6.719 23.886 1.00 0.00 H ATOM 783 HD12 LEU A 51 23.329 -7.391 25.264 1.00 0.00 H ATOM 784 HD13 LEU A 51 23.203 -8.313 23.746 1.00 0.00 H ATOM 785 H LEU A 51 19.149 -5.732 27.104 1.00 0.00 H ATOM 786 N ALA A 52 18.631 -5.926 23.959 1.00 23.57 N ATOM 787 CA ALA A 52 17.913 -5.880 22.705 1.00 19.75 C ATOM 788 C ALA A 52 18.127 -4.533 22.025 1.00 18.44 C ATOM 789 O ALA A 52 18.397 -4.474 20.831 1.00 16.89 O ATOM 790 CB ALA A 52 16.434 -6.119 22.954 1.00 18.61 C ATOM 791 HA ALA A 52 18.292 -6.662 22.047 1.00 0.00 H ATOM 792 HB1 ALA A 52 16.298 -7.098 23.414 1.00 0.00 H ATOM 793 HB2 ALA A 52 16.050 -5.347 23.620 1.00 0.00 H ATOM 794 HB3 ALA A 52 15.897 -6.083 22.006 1.00 0.00 H ATOM 795 H ALA A 52 18.091 -6.039 24.840 1.00 0.00 H ATOM 796 N ASP A 53 18.011 -3.451 22.782 1.00 15.57 N ATOM 797 CA ASP A 53 18.203 -2.130 22.205 1.00 18.81 C ATOM 798 C ASP A 53 19.602 -1.962 21.610 1.00 19.95 C ATOM 799 O ASP A 53 19.795 -1.331 20.556 1.00 17.44 O ATOM 800 CB ASP A 53 17.982 -1.060 23.266 1.00 18.51 C ATOM 801 CG ASP A 53 16.550 -0.629 23.345 1.00 22.44 C ATOM 802 OD1 ASP A 53 15.693 -1.262 22.682 1.00 26.79 O ATOM 803 OD2 ASP A 53 16.269 0.340 24.068 1.00 24.80 O ATOM 804 HA ASP A 53 17.475 -2.020 21.401 1.00 0.00 H ATOM 805 HB2 ASP A 53 18.283 -1.459 24.235 1.00 0.00 H ATOM 806 HB3 ASP A 53 18.597 -0.193 23.024 1.00 0.00 H ATOM 807 H ASP A 53 17.782 -3.547 23.792 1.00 0.00 H ATOM 808 N VAL A 54 20.581 -2.529 22.293 1.00 19.30 N ATOM 809 CA VAL A 54 21.932 -2.402 21.824 1.00 16.94 C ATOM 810 C VAL A 54 22.153 -3.297 20.614 1.00 18.66 C ATOM 811 O VAL A 54 22.736 -2.864 19.607 1.00 16.46 O ATOM 812 CB VAL A 54 22.917 -2.717 22.951 1.00 14.79 C ATOM 813 CG1 VAL A 54 24.361 -2.696 22.420 1.00 15.58 C ATOM 814 CG2 VAL A 54 22.753 -1.687 24.042 1.00 14.18 C ATOM 815 HA VAL A 54 22.109 -1.373 21.512 1.00 0.00 H ATOM 816 HB VAL A 54 22.712 -3.712 23.347 1.00 0.00 H ATOM 817 HG11 VAL A 54 24.468 -3.443 21.634 1.00 0.00 H ATOM 818 HG12 VAL A 54 24.584 -1.708 22.017 1.00 0.00 H ATOM 819 HG13 VAL A 54 25.050 -2.922 23.234 1.00 0.00 H ATOM 820 HG21 VAL A 54 22.958 -0.696 23.638 1.00 0.00 H ATOM 821 HG22 VAL A 54 21.732 -1.722 24.422 1.00 0.00 H ATOM 822 HG23 VAL A 54 23.451 -1.902 24.851 1.00 0.00 H ATOM 823 H VAL A 54 20.375 -3.062 23.162 1.00 0.00 H ATOM 824 N GLN A 55 21.666 -4.532 20.687 1.00 19.20 N ATOM 825 CA GLN A 55 21.833 -5.434 19.564 1.00 18.76 C ATOM 826 C GLN A 55 21.233 -4.814 18.306 1.00 18.68 C ATOM 827 O GLN A 55 21.801 -4.933 17.216 1.00 22.10 O ATOM 828 CB GLN A 55 21.203 -6.782 19.876 1.00 17.72 C ATOM 829 CG GLN A 55 22.095 -7.617 20.779 1.00 20.15 C ATOM 830 CD GLN A 55 21.425 -8.867 21.328 1.00 21.17 C ATOM 831 OE1 GLN A 55 22.085 -9.723 21.911 1.00 21.79 O ATOM 832 NE2 GLN A 55 20.116 -8.976 21.154 1.00 20.47 N ATOM 833 HA GLN A 55 22.896 -5.597 19.385 1.00 0.00 H ATOM 834 HB2 GLN A 55 20.247 -6.620 20.374 1.00 0.00 H ATOM 835 HB3 GLN A 55 21.039 -7.321 18.943 1.00 0.00 H ATOM 836 HG2 GLN A 55 22.972 -7.921 20.208 1.00 0.00 H ATOM 837 HG3 GLN A 55 22.407 -6.998 21.620 1.00 0.00 H ATOM 838 HE22 GLN A 55 19.594 -8.228 20.654 1.00 0.00 H ATOM 839 HE21 GLN A 55 19.611 -9.809 21.517 1.00 0.00 H ATOM 840 H GLN A 55 21.169 -4.849 21.544 1.00 0.00 H ATOM 841 N ALA A 56 20.107 -4.125 18.474 1.00 17.77 N ATOM 842 CA ALA A 56 19.406 -3.448 17.385 1.00 16.63 C ATOM 843 C ALA A 56 20.306 -2.478 16.607 1.00 17.78 C ATOM 844 O ALA A 56 20.122 -2.282 15.394 1.00 16.95 O ATOM 845 CB ALA A 56 18.208 -2.670 17.944 1.00 15.77 C ATOM 846 HA ALA A 56 19.079 -4.224 16.693 1.00 0.00 H ATOM 847 HB1 ALA A 56 17.526 -3.362 18.438 1.00 0.00 H ATOM 848 HB2 ALA A 56 18.560 -1.930 18.662 1.00 0.00 H ATOM 849 HB3 ALA A 56 17.690 -2.168 17.127 1.00 0.00 H ATOM 850 H ALA A 56 19.705 -4.065 19.431 1.00 0.00 H ATOM 851 N VAL A 57 21.270 -1.868 17.294 1.00 14.29 N ATOM 852 CA VAL A 57 22.128 -0.902 16.632 1.00 16.12 C ATOM 853 C VAL A 57 22.869 -1.485 15.416 1.00 15.18 C ATOM 854 O VAL A 57 23.272 -0.739 14.517 1.00 14.18 O ATOM 855 CB VAL A 57 23.114 -0.262 17.647 1.00 16.30 C ATOM 856 CG1 VAL A 57 24.143 0.622 16.938 1.00 13.99 C ATOM 857 CG2 VAL A 57 22.323 0.597 18.623 1.00 17.94 C ATOM 858 HA VAL A 57 21.479 -0.121 16.237 1.00 0.00 H ATOM 859 HB VAL A 57 23.642 -1.061 18.167 1.00 0.00 H ATOM 860 HG11 VAL A 57 24.713 0.019 16.232 1.00 0.00 H ATOM 861 HG12 VAL A 57 23.628 1.420 16.403 1.00 0.00 H ATOM 862 HG13 VAL A 57 24.818 1.055 17.676 1.00 0.00 H ATOM 863 HG21 VAL A 57 21.798 1.379 18.074 1.00 0.00 H ATOM 864 HG22 VAL A 57 21.601 -0.026 19.151 1.00 0.00 H ATOM 865 HG23 VAL A 57 23.006 1.052 19.341 1.00 0.00 H ATOM 866 H VAL A 57 21.408 -2.083 18.302 1.00 0.00 H ATOM 867 N CYS A 58 23.013 -2.809 15.362 1.00 14.55 N ATOM 868 CA CYS A 58 23.708 -3.419 14.231 1.00 16.55 C ATOM 869 C CYS A 58 22.938 -3.293 12.916 1.00 17.23 C ATOM 870 O CYS A 58 23.461 -3.634 11.846 1.00 14.09 O ATOM 871 CB CYS A 58 24.019 -4.894 14.510 1.00 17.72 C ATOM 872 SG CYS A 58 25.217 -5.128 15.871 1.00 15.68 S ATOM 873 HA CYS A 58 24.639 -2.865 14.116 1.00 0.00 H ATOM 874 HB2 CYS A 58 24.431 -5.340 13.604 1.00 0.00 H ATOM 875 HB3 CYS A 58 23.091 -5.401 14.773 1.00 0.00 H ATOM 876 H CYS A 58 22.632 -3.406 16.123 1.00 0.00 H ATOM 877 N SER A 59 21.693 -2.819 12.983 1.00 17.70 N ATOM 878 CA SER A 59 20.936 -2.647 11.751 1.00 18.80 C ATOM 879 C SER A 59 20.520 -1.203 11.565 1.00 17.22 C ATOM 880 O SER A 59 19.684 -0.905 10.718 1.00 19.59 O ATOM 881 CB SER A 59 19.718 -3.591 11.695 1.00 21.94 C ATOM 882 OG SER A 59 18.689 -3.197 12.575 1.00 22.30 O ATOM 883 HA SER A 59 21.592 -2.916 10.923 1.00 0.00 H ATOM 884 HB2 SER A 59 20.042 -4.597 11.963 1.00 0.00 H ATOM 885 HB3 SER A 59 19.326 -3.596 10.678 1.00 0.00 H ATOM 886 HG SER A 59 19.033 -3.196 13.503 1.00 0.00 H ATOM 887 H SER A 59 21.269 -2.576 13.901 1.00 0.00 H ATOM 888 N GLN A 60 21.139 -0.305 12.336 1.00 15.41 N ATOM 889 CA GLN A 60 20.861 1.128 12.245 1.00 15.10 C ATOM 890 C GLN A 60 21.786 1.877 11.247 1.00 17.05 C ATOM 891 O GLN A 60 22.064 1.357 10.165 1.00 17.25 O ATOM 892 CB GLN A 60 20.896 1.744 13.652 1.00 11.49 C ATOM 893 CG GLN A 60 20.115 0.855 14.633 1.00 18.34 C ATOM 894 CD GLN A 60 19.433 1.589 15.786 1.00 16.96 C ATOM 895 OE1 GLN A 60 19.694 2.758 16.052 1.00 17.08 O ATOM 896 NE2 GLN A 60 18.551 0.875 16.484 1.00 15.40 N ATOM 897 HA GLN A 60 19.860 1.248 11.830 1.00 0.00 H ATOM 898 HB2 GLN A 60 21.931 1.827 13.985 1.00 0.00 H ATOM 899 HB3 GLN A 60 20.444 2.735 13.624 1.00 0.00 H ATOM 900 HG2 GLN A 60 19.346 0.327 14.069 1.00 0.00 H ATOM 901 HG3 GLN A 60 20.811 0.133 15.059 1.00 0.00 H ATOM 902 HE22 GLN A 60 18.360 -0.114 16.224 1.00 0.00 H ATOM 903 HE21 GLN A 60 18.054 1.306 17.289 1.00 0.00 H ATOM 904 H GLN A 60 21.844 -0.636 13.025 1.00 0.00 H ATOM 905 N LYS A 61 22.266 3.074 11.598 1.00 18.96 N ATOM 906 CA LYS A 61 23.083 3.869 10.667 1.00 18.20 C ATOM 907 C LYS A 61 24.525 3.414 10.413 1.00 18.06 C ATOM 908 O LYS A 61 25.399 3.545 11.275 1.00 16.41 O ATOM 909 CB LYS A 61 23.093 5.331 11.098 1.00 16.05 C ATOM 910 CG LYS A 61 23.570 6.278 10.003 1.00 19.67 C ATOM 911 CD LYS A 61 23.458 7.732 10.436 1.00 21.61 C ATOM 912 CE LYS A 61 24.799 8.298 10.878 1.00 27.95 C ATOM 913 NZ LYS A 61 24.929 9.757 10.545 1.00 31.29 N ATOM 914 HA LYS A 61 22.583 3.713 9.711 1.00 0.00 H ATOM 915 HB2 LYS A 61 22.080 5.615 11.384 1.00 0.00 H ATOM 916 HB3 LYS A 61 23.755 5.434 11.958 1.00 0.00 H ATOM 917 HG2 LYS A 61 24.612 6.056 9.772 1.00 0.00 H ATOM 918 HG3 LYS A 61 22.961 6.125 9.112 1.00 0.00 H ATOM 919 HD2 LYS A 61 23.085 8.322 9.598 1.00 0.00 H ATOM 920 HD3 LYS A 61 22.756 7.799 11.267 1.00 0.00 H ATOM 921 HE2 LYS A 61 25.596 7.749 10.376 1.00 0.00 H ATOM 922 HE3 LYS A 61 24.897 8.172 11.956 1.00 0.00 H ATOM 923 HZ1 LYS A 61 24.844 9.886 9.516 1.00 0.00 H ATOM 924 HZ2 LYS A 61 24.176 10.289 11.026 1.00 0.00 H ATOM 925 HZ3 LYS A 61 25.857 10.103 10.863 1.00 0.00 H ATOM 926 H LYS A 61 22.059 3.450 12.545 1.00 0.00 H ATOM 927 N ASN A 62 24.770 2.904 9.208 1.00 16.33 N ATOM 928 CA ASN A 62 26.099 2.419 8.848 1.00 15.68 C ATOM 929 C ASN A 62 27.084 3.585 8.737 1.00 16.81 C ATOM 930 O ASN A 62 26.885 4.496 7.934 1.00 16.42 O ATOM 931 CB ASN A 62 26.040 1.639 7.530 1.00 12.04 C ATOM 932 CG ASN A 62 27.297 0.843 7.257 1.00 12.29 C ATOM 933 OD1 ASN A 62 27.620 0.557 6.112 1.00 13.66 O ATOM 934 ND2 ASN A 62 28.009 0.477 8.302 1.00 14.31 N ATOM 935 HA ASN A 62 26.449 1.749 9.633 1.00 0.00 H ATOM 936 HB2 ASN A 62 25.195 0.951 7.571 1.00 0.00 H ATOM 937 HB3 ASN A 62 25.892 2.346 6.714 1.00 0.00 H ATOM 938 HD22 ASN A 62 27.700 0.740 9.260 1.00 0.00 H ATOM 939 HD21 ASN A 62 28.880 -0.075 8.170 1.00 0.00 H ATOM 940 H ASN A 62 24.001 2.850 8.510 1.00 0.00 H ATOM 941 N VAL A 63 28.131 3.544 9.560 1.00 13.37 N ATOM 942 CA VAL A 63 29.169 4.570 9.575 1.00 13.41 C ATOM 943 C VAL A 63 30.551 3.903 9.567 1.00 14.80 C ATOM 944 O VAL A 63 30.699 2.734 9.938 1.00 15.52 O ATOM 945 CB VAL A 63 29.054 5.480 10.826 1.00 12.11 C ATOM 946 CG1 VAL A 63 27.612 5.959 10.973 1.00 13.94 C ATOM 947 CG2 VAL A 63 29.490 4.735 12.079 1.00 11.32 C ATOM 948 HA VAL A 63 29.040 5.189 8.687 1.00 0.00 H ATOM 949 HB VAL A 63 29.712 6.339 10.698 1.00 0.00 H ATOM 950 HG11 VAL A 63 27.325 6.522 10.085 1.00 0.00 H ATOM 951 HG12 VAL A 63 26.954 5.097 11.087 1.00 0.00 H ATOM 952 HG13 VAL A 63 27.531 6.598 11.852 1.00 0.00 H ATOM 953 HG21 VAL A 63 28.854 3.861 12.220 1.00 0.00 H ATOM 954 HG22 VAL A 63 30.527 4.418 11.969 1.00 0.00 H ATOM 955 HG23 VAL A 63 29.400 5.395 12.942 1.00 0.00 H ATOM 956 H VAL A 63 28.212 2.745 10.221 1.00 0.00 H ATOM 957 N ALA A 64 31.558 4.658 9.147 1.00 14.04 N ATOM 958 CA ALA A 64 32.920 4.162 9.085 1.00 12.67 C ATOM 959 C ALA A 64 33.482 3.955 10.474 1.00 11.20 C ATOM 960 O ALA A 64 33.290 4.800 11.337 1.00 12.14 O ATOM 961 CB ALA A 64 33.799 5.164 8.302 1.00 12.32 C ATOM 962 HA ALA A 64 32.918 3.200 8.573 1.00 0.00 H ATOM 963 HB1 ALA A 64 33.407 5.277 7.291 1.00 0.00 H ATOM 964 HB2 ALA A 64 33.786 6.129 8.808 1.00 0.00 H ATOM 965 HB3 ALA A 64 34.822 4.790 8.256 1.00 0.00 H ATOM 966 H ALA A 64 31.365 5.637 8.853 1.00 0.00 H ATOM 967 N CYS A 65 34.174 2.825 10.667 1.00 12.87 N ATOM 968 CA CYS A 65 34.841 2.472 11.930 1.00 13.03 C ATOM 969 C CYS A 65 36.143 3.248 12.029 1.00 13.66 C ATOM 970 O CYS A 65 36.737 3.603 11.010 1.00 14.20 O ATOM 971 CB CYS A 65 35.220 1.000 11.952 1.00 14.48 C ATOM 972 SG CYS A 65 33.817 -0.142 11.955 1.00 16.23 S ATOM 973 HA CYS A 65 34.156 2.700 12.747 1.00 0.00 H ATOM 974 HB2 CYS A 65 35.811 0.815 12.849 1.00 0.00 H ATOM 975 HB3 CYS A 65 35.826 0.792 11.070 1.00 0.00 H ATOM 976 H CYS A 65 34.244 2.155 9.875 1.00 0.00 H ATOM 977 N LYS A 66 36.605 3.485 13.250 1.00 14.94 N ATOM 978 CA LYS A 66 37.862 4.208 13.453 1.00 17.44 C ATOM 979 C LYS A 66 39.045 3.479 12.806 1.00 17.58 C ATOM 980 O LYS A 66 39.999 4.107 12.364 1.00 15.00 O ATOM 981 CB LYS A 66 38.125 4.406 14.945 1.00 17.37 C ATOM 982 CG LYS A 66 37.454 5.643 15.495 1.00 22.33 C ATOM 983 CD LYS A 66 36.755 5.334 16.810 1.00 24.86 C ATOM 984 CE LYS A 66 37.118 6.354 17.869 1.00 27.18 C ATOM 985 NZ LYS A 66 38.018 5.771 18.896 1.00 31.94 N ATOM 986 HA LYS A 66 37.763 5.181 12.971 1.00 0.00 H ATOM 987 HB2 LYS A 66 37.750 3.536 15.484 1.00 0.00 H ATOM 988 HB3 LYS A 66 39.200 4.493 15.102 1.00 0.00 H ATOM 989 HG2 LYS A 66 38.206 6.415 15.661 1.00 0.00 H ATOM 990 HG3 LYS A 66 36.719 6.003 14.775 1.00 0.00 H ATOM 991 HD2 LYS A 66 35.676 5.350 16.653 1.00 0.00 H ATOM 992 HD3 LYS A 66 37.056 4.343 17.150 1.00 0.00 H ATOM 993 HE2 LYS A 66 36.206 6.703 18.353 1.00 0.00 H ATOM 994 HE3 LYS A 66 37.621 7.196 17.393 1.00 0.00 H ATOM 995 HZ1 LYS A 66 37.542 4.970 19.358 1.00 0.00 H ATOM 996 HZ2 LYS A 66 38.893 5.441 18.441 1.00 0.00 H ATOM 997 HZ3 LYS A 66 38.247 6.496 19.606 1.00 0.00 H ATOM 998 H LYS A 66 36.066 3.152 14.075 1.00 0.00 H ATOM 999 N ASN A 67 38.971 2.155 12.742 1.00 18.76 N ATOM 1000 CA ASN A 67 40.043 1.379 12.132 1.00 19.36 C ATOM 1001 C ASN A 67 39.906 1.294 10.597 1.00 19.19 C ATOM 1002 O ASN A 67 40.659 0.580 9.928 1.00 22.79 O ATOM 1003 CB ASN A 67 40.111 -0.024 12.772 1.00 16.69 C ATOM 1004 CG ASN A 67 39.048 -0.975 12.248 1.00 15.65 C ATOM 1005 OD1 ASN A 67 38.071 -0.559 11.633 1.00 15.91 O ATOM 1006 ND2 ASN A 67 39.245 -2.271 12.489 1.00 17.28 N ATOM 1007 HA ASN A 67 40.982 1.898 12.326 1.00 0.00 H ATOM 1008 HB2 ASN A 67 41.092 -0.452 12.564 1.00 0.00 H ATOM 1009 HB3 ASN A 67 39.982 0.080 13.849 1.00 0.00 H ATOM 1010 HD22 ASN A 67 40.088 -2.580 13.015 1.00 0.00 H ATOM 1011 HD21 ASN A 67 38.556 -2.973 12.151 1.00 0.00 H ATOM 1012 H ASN A 67 38.139 1.667 13.131 1.00 0.00 H ATOM 1013 N GLY A 68 38.956 2.024 10.035 1.00 15.99 N ATOM 1014 CA GLY A 68 38.800 2.001 8.601 1.00 16.37 C ATOM 1015 C GLY A 68 37.825 0.959 8.101 1.00 16.63 C ATOM 1016 O GLY A 68 37.471 0.967 6.931 1.00 17.32 O ATOM 1017 HA3 GLY A 68 39.774 1.801 8.154 1.00 0.00 H ATOM 1018 HA2 GLY A 68 38.448 2.981 8.279 1.00 0.00 H ATOM 1019 H GLY A 68 38.328 2.609 10.622 1.00 0.00 H ATOM 1020 N GLN A 69 37.397 0.048 8.970 1.00 17.70 N ATOM 1021 CA GLN A 69 36.440 -0.977 8.565 1.00 15.11 C ATOM 1022 C GLN A 69 35.073 -0.344 8.357 1.00 13.50 C ATOM 1023 O GLN A 69 34.811 0.771 8.784 1.00 13.00 O ATOM 1024 CB GLN A 69 36.351 -2.080 9.620 1.00 16.40 C ATOM 1025 CG GLN A 69 37.414 -3.154 9.468 1.00 18.63 C ATOM 1026 CD GLN A 69 37.231 -4.282 10.448 1.00 19.02 C ATOM 1027 OE1 GLN A 69 37.865 -4.313 11.505 1.00 22.72 O ATOM 1028 NE2 GLN A 69 36.358 -5.226 10.104 1.00 22.89 N ATOM 1029 HA GLN A 69 36.779 -1.424 7.630 1.00 0.00 H ATOM 1030 HB2 GLN A 69 36.459 -1.625 10.605 1.00 0.00 H ATOM 1031 HB3 GLN A 69 35.371 -2.551 9.544 1.00 0.00 H ATOM 1032 HG2 GLN A 69 37.364 -3.557 8.456 1.00 0.00 H ATOM 1033 HG3 GLN A 69 38.393 -2.704 9.630 1.00 0.00 H ATOM 1034 HE22 GLN A 69 35.846 -5.157 9.201 1.00 0.00 H ATOM 1035 HE21 GLN A 69 36.188 -6.033 10.738 1.00 0.00 H ATOM 1036 H GLN A 69 37.748 0.066 9.949 1.00 0.00 H ATOM 1037 N THR A 70 34.197 -1.061 7.686 1.00 17.99 N ATOM 1038 CA THR A 70 32.876 -0.534 7.410 1.00 19.13 C ATOM 1039 C THR A 70 31.799 -1.207 8.252 1.00 17.88 C ATOM 1040 O THR A 70 30.610 -0.979 8.031 1.00 18.93 O ATOM 1041 CB THR A 70 32.539 -0.743 5.928 1.00 22.63 C ATOM 1042 OG1 THR A 70 32.383 -2.147 5.671 1.00 24.36 O ATOM 1043 CG2 THR A 70 33.670 -0.217 5.054 1.00 22.58 C ATOM 1044 HA THR A 70 32.893 0.527 7.661 1.00 0.00 H ATOM 1045 HB THR A 70 31.618 -0.208 5.698 1.00 0.00 H ATOM 1046 HG1 THR A 70 31.650 -2.505 6.232 1.00 0.00 H ATOM 1047 HG23 THR A 70 33.803 0.849 5.236 1.00 0.00 H ATOM 1048 HG21 THR A 70 34.592 -0.746 5.297 1.00 0.00 H ATOM 1049 HG22 THR A 70 33.422 -0.379 4.005 1.00 0.00 H ATOM 1050 H THR A 70 34.454 -2.012 7.352 1.00 0.00 H ATOM 1051 N ASN A 71 32.204 -2.033 9.209 1.00 14.45 N ATOM 1052 CA ASN A 71 31.219 -2.745 10.013 1.00 16.14 C ATOM 1053 C ASN A 71 30.757 -2.037 11.301 1.00 14.89 C ATOM 1054 O ASN A 71 30.450 -2.691 12.286 1.00 14.65 O ATOM 1055 CB ASN A 71 31.730 -4.162 10.332 1.00 13.72 C ATOM 1056 CG ASN A 71 32.904 -4.165 11.279 1.00 17.48 C ATOM 1057 OD1 ASN A 71 33.749 -3.270 11.239 1.00 22.37 O ATOM 1058 ND2 ASN A 71 32.969 -5.171 12.139 1.00 13.66 N ATOM 1059 HA ASN A 71 30.324 -2.780 9.392 1.00 0.00 H ATOM 1060 HB2 ASN A 71 30.917 -4.731 10.784 1.00 0.00 H ATOM 1061 HB3 ASN A 71 32.033 -4.640 9.401 1.00 0.00 H ATOM 1062 HD22 ASN A 71 32.232 -5.905 12.137 1.00 0.00 H ATOM 1063 HD21 ASN A 71 33.757 -5.226 12.816 1.00 0.00 H ATOM 1064 H ASN A 71 33.220 -2.171 9.384 1.00 0.00 H ATOM 1065 N CYS A 72 30.691 -0.709 11.286 1.00 10.72 N ATOM 1066 CA CYS A 72 30.254 0.018 12.466 1.00 14.34 C ATOM 1067 C CYS A 72 28.890 0.624 12.261 1.00 14.74 C ATOM 1068 O CYS A 72 28.490 0.927 11.136 1.00 14.45 O ATOM 1069 CB CYS A 72 31.240 1.123 12.841 1.00 15.35 C ATOM 1070 SG CYS A 72 32.740 0.451 13.597 1.00 13.47 S ATOM 1071 HA CYS A 72 30.207 -0.706 13.279 1.00 0.00 H ATOM 1072 HB2 CYS A 72 30.760 1.800 13.548 1.00 0.00 H ATOM 1073 HB3 CYS A 72 31.514 1.673 11.941 1.00 0.00 H ATOM 1074 H CYS A 72 30.954 -0.188 10.425 1.00 0.00 H ATOM 1075 N TYR A 73 28.181 0.813 13.368 1.00 15.18 N ATOM 1076 CA TYR A 73 26.832 1.354 13.293 1.00 16.16 C ATOM 1077 C TYR A 73 26.565 2.350 14.397 1.00 14.19 C ATOM 1078 O TYR A 73 26.985 2.158 15.530 1.00 14.65 O ATOM 1079 CB TYR A 73 25.817 0.194 13.322 1.00 12.63 C ATOM 1080 CG TYR A 73 26.041 -0.777 12.173 1.00 15.15 C ATOM 1081 CD1 TYR A 73 27.021 -1.775 12.263 1.00 16.56 C ATOM 1082 CD2 TYR A 73 25.328 -0.659 10.969 1.00 15.57 C ATOM 1083 CE1 TYR A 73 27.298 -2.623 11.196 1.00 15.48 C ATOM 1084 CE2 TYR A 73 25.602 -1.507 9.894 1.00 17.50 C ATOM 1085 CZ TYR A 73 26.594 -2.483 10.022 1.00 18.83 C ATOM 1086 OH TYR A 73 26.899 -3.309 8.962 1.00 23.22 O ATOM 1087 HA TYR A 73 26.725 1.898 12.355 1.00 0.00 H ATOM 1088 HB3 TYR A 73 24.810 0.604 13.248 1.00 0.00 H ATOM 1089 HB2 TYR A 73 25.921 -0.343 14.265 1.00 0.00 H ATOM 1090 HD2 TYR A 73 24.553 0.102 10.873 1.00 0.00 H ATOM 1091 HE2 TYR A 73 25.046 -1.408 8.962 1.00 0.00 H ATOM 1092 HE1 TYR A 73 28.066 -3.391 11.289 1.00 0.00 H ATOM 1093 HD1 TYR A 73 27.580 -1.889 13.192 1.00 0.00 H ATOM 1094 HH TYR A 73 27.619 -3.934 9.229 1.00 0.00 H ATOM 1095 H TYR A 73 28.592 0.573 14.293 1.00 0.00 H ATOM 1096 N GLN A 74 25.877 3.429 14.044 1.00 11.88 N ATOM 1097 CA GLN A 74 25.550 4.462 15.000 1.00 13.54 C ATOM 1098 C GLN A 74 24.061 4.392 15.365 1.00 15.03 C ATOM 1099 O GLN A 74 23.200 4.242 14.490 1.00 14.01 O ATOM 1100 CB GLN A 74 25.880 5.809 14.400 1.00 10.98 C ATOM 1101 CG GLN A 74 25.456 6.960 15.251 1.00 15.05 C ATOM 1102 CD GLN A 74 25.970 8.248 14.709 1.00 19.65 C ATOM 1103 OE1 GLN A 74 27.099 8.311 14.225 1.00 21.34 O ATOM 1104 NE2 GLN A 74 25.150 9.289 14.765 1.00 19.14 N ATOM 1105 HA GLN A 74 26.132 4.317 15.910 1.00 0.00 H ATOM 1106 HB2 GLN A 74 26.959 5.867 14.253 1.00 0.00 H ATOM 1107 HB3 GLN A 74 25.379 5.890 13.435 1.00 0.00 H ATOM 1108 HG2 GLN A 74 24.367 6.997 15.283 1.00 0.00 H ATOM 1109 HG3 GLN A 74 25.844 6.818 16.260 1.00 0.00 H ATOM 1110 HE22 GLN A 74 24.204 9.184 15.185 1.00 0.00 H ATOM 1111 HE21 GLN A 74 25.453 10.210 14.389 1.00 0.00 H ATOM 1112 H GLN A 74 25.566 3.533 13.057 1.00 0.00 H ATOM 1113 N SER A 75 23.761 4.500 16.656 1.00 16.40 N ATOM 1114 CA SER A 75 22.375 4.424 17.102 1.00 16.94 C ATOM 1115 C SER A 75 21.565 5.652 16.680 1.00 14.93 C ATOM 1116 O SER A 75 22.016 6.775 16.819 1.00 15.30 O ATOM 1117 CB SER A 75 22.337 4.234 18.618 1.00 16.15 C ATOM 1118 OG SER A 75 22.791 5.391 19.286 1.00 15.03 O ATOM 1119 HA SER A 75 21.909 3.565 16.619 1.00 0.00 H ATOM 1120 HB2 SER A 75 22.976 3.393 18.888 1.00 0.00 H ATOM 1121 HB3 SER A 75 21.313 4.024 18.925 1.00 0.00 H ATOM 1122 HG SER A 75 22.211 6.157 19.048 1.00 0.00 H ATOM 1123 H SER A 75 24.521 4.640 17.353 1.00 0.00 H ATOM 1124 N TYR A 76 20.372 5.437 16.137 1.00 15.08 N ATOM 1125 CA TYR A 76 19.542 6.556 15.705 1.00 16.65 C ATOM 1126 C TYR A 76 19.146 7.404 16.895 1.00 16.39 C ATOM 1127 O TYR A 76 19.090 8.623 16.809 1.00 17.15 O ATOM 1128 CB TYR A 76 18.303 6.042 14.979 1.00 16.82 C ATOM 1129 CG TYR A 76 18.632 5.514 13.603 1.00 15.59 C ATOM 1130 CD1 TYR A 76 19.272 6.325 12.669 1.00 14.43 C ATOM 1131 CD2 TYR A 76 18.316 4.207 13.241 1.00 14.41 C ATOM 1132 CE1 TYR A 76 19.589 5.851 11.404 1.00 14.42 C ATOM 1133 CE2 TYR A 76 18.626 3.718 11.981 1.00 12.34 C ATOM 1134 CZ TYR A 76 19.264 4.549 11.066 1.00 14.45 C ATOM 1135 OH TYR A 76 19.567 4.087 9.805 1.00 15.35 O ATOM 1136 HA TYR A 76 20.116 7.175 15.015 1.00 0.00 H ATOM 1137 HB3 TYR A 76 17.588 6.859 14.881 1.00 0.00 H ATOM 1138 HB2 TYR A 76 17.858 5.239 15.567 1.00 0.00 H ATOM 1139 HD2 TYR A 76 17.817 3.558 13.960 1.00 0.00 H ATOM 1140 HE2 TYR A 76 18.372 2.693 11.710 1.00 0.00 H ATOM 1141 HE1 TYR A 76 20.089 6.498 10.683 1.00 0.00 H ATOM 1142 HD1 TYR A 76 19.528 7.350 12.936 1.00 0.00 H ATOM 1143 HH TYR A 76 20.015 4.804 9.291 1.00 0.00 H ATOM 1144 H TYR A 76 20.027 4.463 16.019 1.00 0.00 H ATOM 1145 N SER A 77 18.873 6.752 18.015 1.00 19.26 N ATOM 1146 CA SER A 77 18.520 7.483 19.225 1.00 20.88 C ATOM 1147 C SER A 77 19.712 7.541 20.190 1.00 20.79 C ATOM 1148 O SER A 77 20.666 6.756 20.094 1.00 19.44 O ATOM 1149 CB SER A 77 17.329 6.823 19.913 1.00 21.66 C ATOM 1150 OG SER A 77 17.774 5.805 20.778 1.00 26.49 O ATOM 1151 HA SER A 77 18.250 8.500 18.942 1.00 0.00 H ATOM 1152 HB2 SER A 77 16.669 6.393 19.159 1.00 0.00 H ATOM 1153 HB3 SER A 77 16.783 7.572 20.487 1.00 0.00 H ATOM 1154 HG SER A 77 18.268 5.123 20.257 1.00 0.00 H ATOM 1155 H SER A 77 18.911 5.713 18.031 1.00 0.00 H ATOM 1156 N THR A 78 19.678 8.498 21.107 1.00 20.77 N ATOM 1157 CA THR A 78 20.746 8.588 22.069 1.00 18.42 C ATOM 1158 C THR A 78 20.442 7.520 23.113 1.00 19.46 C ATOM 1159 O THR A 78 19.294 7.091 23.272 1.00 17.98 O ATOM 1160 CB THR A 78 20.804 9.960 22.736 1.00 18.98 C ATOM 1161 OG1 THR A 78 19.628 10.151 23.523 1.00 21.31 O ATOM 1162 CG2 THR A 78 20.911 11.048 21.701 1.00 16.59 C ATOM 1163 HA THR A 78 21.711 8.443 21.584 1.00 0.00 H ATOM 1164 HB THR A 78 21.686 10.007 23.375 1.00 0.00 H ATOM 1165 HG1 THR A 78 19.578 9.446 24.216 1.00 0.00 H ATOM 1166 HG23 THR A 78 21.811 10.894 21.106 1.00 0.00 H ATOM 1167 HG21 THR A 78 20.035 11.018 21.053 1.00 0.00 H ATOM 1168 HG22 THR A 78 20.964 12.017 22.198 1.00 0.00 H ATOM 1169 H THR A 78 18.889 9.176 21.131 1.00 0.00 H ATOM 1170 N MET A 79 21.491 7.069 23.791 1.00 20.68 N ATOM 1171 CA MET A 79 21.368 6.047 24.805 1.00 19.41 C ATOM 1172 C MET A 79 22.076 6.530 26.048 1.00 19.40 C ATOM 1173 O MET A 79 22.958 7.387 25.976 1.00 18.25 O ATOM 1174 CB MET A 79 21.993 4.747 24.315 1.00 17.91 C ATOM 1175 CG MET A 79 21.216 4.115 23.186 1.00 17.46 C ATOM 1176 SD MET A 79 21.996 2.610 22.696 1.00 20.54 S ATOM 1177 CE MET A 79 20.807 1.954 21.509 1.00 14.65 C ATOM 1178 HA MET A 79 20.317 5.858 25.023 1.00 0.00 H ATOM 1179 HB2 MET A 79 23.005 4.956 23.968 1.00 0.00 H ATOM 1180 HB3 MET A 79 22.033 4.044 25.147 1.00 0.00 H ATOM 1181 HG2 MET A 79 21.186 4.800 22.339 1.00 0.00 H ATOM 1182 HG3 MET A 79 20.199 3.905 23.519 1.00 0.00 H ATOM 1183 HE1 MET A 79 19.848 1.801 22.004 1.00 0.00 H ATOM 1184 HE2 MET A 79 20.685 2.662 20.690 1.00 0.00 H ATOM 1185 HE3 MET A 79 21.172 1.004 21.118 1.00 0.00 H ATOM 1186 H MET A 79 22.431 7.464 23.586 1.00 0.00 H ATOM 1187 N SER A 80 21.667 5.993 27.192 1.00 19.63 N ATOM 1188 CA SER A 80 22.277 6.376 28.454 1.00 21.58 C ATOM 1189 C SER A 80 23.583 5.602 28.541 1.00 21.04 C ATOM 1190 O SER A 80 23.593 4.369 28.408 1.00 21.70 O ATOM 1191 CB SER A 80 21.363 6.015 29.631 1.00 19.23 C ATOM 1192 OG SER A 80 22.084 5.948 30.846 1.00 20.49 O ATOM 1193 HA SER A 80 22.445 7.452 28.501 1.00 0.00 H ATOM 1194 HB2 SER A 80 20.903 5.046 29.438 1.00 0.00 H ATOM 1195 HB3 SER A 80 20.585 6.774 29.722 1.00 0.00 H ATOM 1196 HG SER A 80 21.466 5.714 31.583 1.00 0.00 H ATOM 1197 H SER A 80 20.901 5.290 27.184 1.00 0.00 H ATOM 1198 N ILE A 81 24.680 6.330 28.732 1.00 19.70 N ATOM 1199 CA ILE A 81 25.989 5.694 28.833 1.00 21.21 C ATOM 1200 C ILE A 81 26.827 6.223 29.975 1.00 20.17 C ATOM 1201 O ILE A 81 26.595 7.305 30.498 1.00 19.72 O ATOM 1202 CB ILE A 81 26.819 5.876 27.539 1.00 18.76 C ATOM 1203 CG1 ILE A 81 27.142 7.368 27.330 1.00 18.99 C ATOM 1204 CG2 ILE A 81 26.064 5.256 26.349 1.00 18.95 C ATOM 1205 CD1 ILE A 81 28.144 7.637 26.237 1.00 17.78 C ATOM 1206 HA ILE A 81 25.764 4.642 29.008 1.00 0.00 H ATOM 1207 HB ILE A 81 27.772 5.353 27.624 1.00 0.00 H ATOM 1208 HG12 ILE A 81 26.216 7.887 27.080 1.00 0.00 H ATOM 1209 HG13 ILE A 81 27.539 7.766 28.264 1.00 0.00 H ATOM 1210 HD11 ILE A 81 29.083 7.137 26.475 1.00 0.00 H ATOM 1211 HD12 ILE A 81 27.758 7.257 25.291 1.00 0.00 H ATOM 1212 HD13 ILE A 81 28.313 8.711 26.157 1.00 0.00 H ATOM 1213 HG21 ILE A 81 25.908 4.193 26.533 1.00 0.00 H ATOM 1214 HG22 ILE A 81 25.100 5.751 26.234 1.00 0.00 H ATOM 1215 HG23 ILE A 81 26.651 5.386 25.440 1.00 0.00 H ATOM 1216 H ILE A 81 24.604 7.364 28.810 1.00 0.00 H ATOM 1217 N THR A 82 27.811 5.430 30.366 1.00 21.64 N ATOM 1218 CA THR A 82 28.723 5.842 31.406 1.00 20.45 C ATOM 1219 C THR A 82 30.130 5.599 30.865 1.00 21.00 C ATOM 1220 O THR A 82 30.496 4.465 30.513 1.00 16.87 O ATOM 1221 CB THR A 82 28.516 5.047 32.707 1.00 22.48 C ATOM 1222 OG1 THR A 82 27.197 5.300 33.219 1.00 21.57 O ATOM 1223 CG2 THR A 82 29.571 5.457 33.749 1.00 20.13 C ATOM 1224 HA THR A 82 28.554 6.889 31.656 1.00 0.00 H ATOM 1225 HB THR A 82 28.624 3.983 32.498 1.00 0.00 H ATOM 1226 HG1 THR A 82 26.525 5.018 32.549 1.00 0.00 H ATOM 1227 HG23 THR A 82 30.567 5.262 33.352 1.00 0.00 H ATOM 1228 HG21 THR A 82 29.468 6.520 33.969 1.00 0.00 H ATOM 1229 HG22 THR A 82 29.422 4.879 34.661 1.00 0.00 H ATOM 1230 H THR A 82 27.929 4.499 29.919 1.00 0.00 H ATOM 1231 N ASP A 83 30.898 6.684 30.766 1.00 22.31 N ATOM 1232 CA ASP A 83 32.265 6.608 30.286 1.00 23.97 C ATOM 1233 C ASP A 83 33.204 6.429 31.469 1.00 22.92 C ATOM 1234 O ASP A 83 33.060 7.096 32.493 1.00 21.02 O ATOM 1235 CB ASP A 83 32.652 7.885 29.537 1.00 25.52 C ATOM 1236 CG ASP A 83 32.257 7.853 28.071 1.00 27.24 C ATOM 1237 OD1 ASP A 83 32.233 6.749 27.475 1.00 27.06 O ATOM 1238 OD2 ASP A 83 31.979 8.946 27.518 1.00 29.77 O ATOM 1239 HA ASP A 83 32.344 5.761 29.604 1.00 0.00 H ATOM 1240 HB2 ASP A 83 32.156 8.731 30.013 1.00 0.00 H ATOM 1241 HB3 ASP A 83 33.732 8.014 29.604 1.00 0.00 H ATOM 1242 H ASP A 83 30.507 7.608 31.040 1.00 0.00 H ATOM 1243 N CYS A 84 34.158 5.517 31.320 1.00 23.78 N ATOM 1244 CA CYS A 84 35.152 5.266 32.354 1.00 25.76 C ATOM 1245 C CYS A 84 36.552 5.598 31.800 1.00 27.82 C ATOM 1246 O CYS A 84 37.047 4.912 30.890 1.00 25.70 O ATOM 1247 CB CYS A 84 35.104 3.799 32.792 1.00 26.21 C ATOM 1248 SG CYS A 84 33.595 3.307 33.688 1.00 22.57 S ATOM 1249 HA CYS A 84 34.938 5.895 33.218 1.00 0.00 H ATOM 1250 HB2 CYS A 84 35.959 3.613 33.442 1.00 0.00 H ATOM 1251 HB3 CYS A 84 35.185 3.177 31.900 1.00 0.00 H ATOM 1252 H CYS A 84 34.196 4.966 30.439 1.00 0.00 H ATOM 1253 N ARG A 85 37.172 6.655 32.333 1.00 29.21 N ATOM 1254 CA ARG A 85 38.517 7.051 31.900 1.00 31.87 C ATOM 1255 C ARG A 85 39.517 6.979 33.048 1.00 30.85 C ATOM 1256 O ARG A 85 39.290 7.536 34.122 1.00 29.40 O ATOM 1257 CB ARG A 85 38.537 8.471 31.338 1.00 34.83 C ATOM 1258 CG ARG A 85 39.959 8.919 30.945 1.00 39.54 C ATOM 1259 CD ARG A 85 40.074 10.432 30.794 1.00 44.05 C ATOM 1260 NE ARG A 85 38.848 11.125 31.199 1.00 50.10 N ATOM 1261 CZ ARG A 85 38.108 11.879 30.388 1.00 51.57 C ATOM 1262 NH1 ARG A 85 38.474 12.038 29.122 1.00 51.23 N ATOM 1263 NH2 ARG A 85 37.007 12.474 30.839 1.00 50.21 N ATOM 1264 HA ARG A 85 38.801 6.347 31.118 1.00 0.00 H ATOM 1265 HB2 ARG A 85 37.900 8.509 30.455 1.00 0.00 H ATOM 1266 HB3 ARG A 85 38.149 9.154 32.094 1.00 0.00 H ATOM 1267 HG2 ARG A 85 40.655 8.591 31.717 1.00 0.00 H ATOM 1268 HG3 ARG A 85 40.223 8.452 29.996 1.00 0.00 H ATOM 1269 HD2 ARG A 85 40.281 10.666 29.750 1.00 0.00 H ATOM 1270 HD3 ARG A 85 40.898 10.785 31.414 1.00 0.00 H ATOM 1271 HE ARG A 85 38.535 11.021 32.185 1.00 0.00 H ATOM 1272 HH12 ARG A 85 37.900 12.626 28.485 1.00 0.00 H ATOM 1273 HH11 ARG A 85 39.335 11.575 28.768 1.00 0.00 H ATOM 1274 HH22 ARG A 85 36.434 13.061 30.200 1.00 0.00 H ATOM 1275 HH21 ARG A 85 36.719 12.352 31.831 1.00 0.00 H ATOM 1276 H ARG A 85 36.691 7.209 33.070 1.00 0.00 H ATOM 1277 N GLU A 86 40.636 6.310 32.807 1.00 31.42 N ATOM 1278 CA GLU A 86 41.658 6.164 33.837 1.00 32.83 C ATOM 1279 C GLU A 86 42.278 7.490 34.284 1.00 31.90 C ATOM 1280 O GLU A 86 42.717 8.297 33.446 1.00 31.24 O ATOM 1281 CB GLU A 86 42.754 5.228 33.346 1.00 31.95 C ATOM 1282 CG GLU A 86 43.500 4.555 34.477 1.00 40.39 C ATOM 1283 CD GLU A 86 44.871 4.064 34.054 1.00 43.35 C ATOM 1284 OE1 GLU A 86 45.320 4.471 32.954 1.00 47.02 O ATOM 1285 OE2 GLU A 86 45.486 3.280 34.817 1.00 40.59 O ATOM 1286 HA GLU A 86 41.156 5.747 34.710 1.00 0.00 H ATOM 1287 HB2 GLU A 86 42.301 4.459 32.721 1.00 0.00 H ATOM 1288 HB3 GLU A 86 43.465 5.804 32.754 1.00 0.00 H ATOM 1289 HG2 GLU A 86 43.620 5.269 35.292 1.00 0.00 H ATOM 1290 HG3 GLU A 86 42.915 3.704 34.825 1.00 0.00 H ATOM 1291 H GLU A 86 40.787 5.883 31.871 1.00 0.00 H ATOM 1292 N THR A 87 42.292 7.715 35.602 1.00 31.07 N ATOM 1293 CA THR A 87 42.874 8.936 36.161 1.00 33.75 C ATOM 1294 C THR A 87 44.394 8.884 35.950 1.00 34.67 C ATOM 1295 O THR A 87 44.958 7.820 35.682 1.00 34.01 O ATOM 1296 CB THR A 87 42.594 9.087 37.706 1.00 34.80 C ATOM 1297 OG1 THR A 87 43.193 8.000 38.427 1.00 35.39 O ATOM 1298 CG2 THR A 87 41.108 9.104 37.995 1.00 33.69 C ATOM 1299 HA THR A 87 42.417 9.786 35.654 1.00 0.00 H ATOM 1300 HB THR A 87 43.029 10.033 38.028 1.00 0.00 H ATOM 1301 HG1 THR A 87 43.010 8.107 39.394 1.00 0.00 H ATOM 1302 HG23 THR A 87 40.643 9.927 37.452 1.00 0.00 H ATOM 1303 HG21 THR A 87 40.666 8.160 37.676 1.00 0.00 H ATOM 1304 HG22 THR A 87 40.949 9.237 39.065 1.00 0.00 H ATOM 1305 H THR A 87 41.881 7.007 36.244 1.00 0.00 H ATOM 1306 N GLY A 88 45.053 10.032 36.032 1.00 37.23 N ATOM 1307 CA GLY A 88 46.498 10.027 35.892 1.00 40.32 C ATOM 1308 C GLY A 88 47.038 9.455 37.197 1.00 42.84 C ATOM 1309 O GLY A 88 48.052 8.750 37.238 1.00 43.42 O ATOM 1310 HA3 GLY A 88 46.869 11.041 35.739 1.00 0.00 H ATOM 1311 HA2 GLY A 88 46.796 9.402 35.051 1.00 0.00 H ATOM 1312 H GLY A 88 44.542 10.923 36.194 1.00 0.00 H ATOM 1313 N SER A 89 46.328 9.767 38.277 1.00 43.29 N ATOM 1314 CA SER A 89 46.681 9.299 39.599 1.00 44.44 C ATOM 1315 C SER A 89 46.552 7.779 39.666 1.00 45.25 C ATOM 1316 O SER A 89 47.112 7.153 40.567 1.00 46.61 O ATOM 1317 CB SER A 89 45.757 9.937 40.639 1.00 45.38 C ATOM 1318 OG SER A 89 46.189 9.642 41.958 1.00 48.35 O ATOM 1319 HA SER A 89 47.712 9.581 39.810 1.00 0.00 H ATOM 1320 HB2 SER A 89 44.746 9.552 40.501 1.00 0.00 H ATOM 1321 HB3 SER A 89 45.755 11.018 40.498 1.00 0.00 H ATOM 1322 HG SER A 89 46.188 8.661 42.093 1.00 0.00 H ATOM 1323 H SER A 89 45.488 10.370 38.167 1.00 0.00 H ATOM 1324 N SER A 90 45.821 7.187 38.716 1.00 43.95 N ATOM 1325 CA SER A 90 45.615 5.735 38.681 1.00 40.08 C ATOM 1326 C SER A 90 46.911 4.935 38.676 1.00 39.91 C ATOM 1327 O SER A 90 47.876 5.289 38.011 1.00 40.56 O ATOM 1328 CB SER A 90 44.794 5.327 37.473 1.00 36.85 C ATOM 1329 OG SER A 90 44.636 3.922 37.476 1.00 33.82 O ATOM 1330 HA SER A 90 45.081 5.503 39.602 1.00 0.00 H ATOM 1331 HB2 SER A 90 45.306 5.635 36.562 1.00 0.00 H ATOM 1332 HB3 SER A 90 43.815 5.805 37.518 1.00 0.00 H ATOM 1333 HG SER A 90 44.100 3.650 36.689 1.00 0.00 H ATOM 1334 H SER A 90 45.384 7.775 37.978 1.00 0.00 H ATOM 1335 N LYS A 91 46.882 3.813 39.378 1.00 41.66 N ATOM 1336 CA LYS A 91 48.045 2.966 39.556 1.00 40.92 C ATOM 1337 C LYS A 91 47.748 1.463 39.648 1.00 40.17 C ATOM 1338 O LYS A 91 47.174 0.987 40.625 1.00 41.48 O ATOM 1339 CB LYS A 91 48.755 3.425 40.831 1.00 44.39 C ATOM 1340 CG LYS A 91 47.852 3.488 42.110 1.00 43.55 C ATOM 1341 CD LYS A 91 46.408 3.959 41.863 1.00 46.72 C ATOM 1342 CE LYS A 91 46.117 5.292 42.538 1.00 47.65 C ATOM 1343 NZ LYS A 91 45.086 6.083 41.810 1.00 53.05 N ATOM 1344 HA LYS A 91 48.661 3.076 38.663 1.00 0.00 H ATOM 1345 HB2 LYS A 91 49.574 2.733 41.029 1.00 0.00 H ATOM 1346 HB3 LYS A 91 49.158 4.422 40.653 1.00 0.00 H ATOM 1347 HG2 LYS A 91 47.813 2.490 42.546 1.00 0.00 H ATOM 1348 HG3 LYS A 91 48.316 4.175 42.818 1.00 0.00 H ATOM 1349 HD2 LYS A 91 46.252 4.067 40.790 1.00 0.00 H ATOM 1350 HD3 LYS A 91 45.721 3.209 42.255 1.00 0.00 H ATOM 1351 HE2 LYS A 91 47.039 5.872 42.580 1.00 0.00 H ATOM 1352 HE3 LYS A 91 45.762 5.102 43.551 1.00 0.00 H ATOM 1353 HZ1 LYS A 91 45.418 6.277 40.844 1.00 0.00 H ATOM 1354 HZ2 LYS A 91 44.199 5.541 41.771 1.00 0.00 H ATOM 1355 HZ3 LYS A 91 44.924 6.981 42.309 1.00 0.00 H ATOM 1356 H LYS A 91 45.986 3.527 39.821 1.00 0.00 H ATOM 1357 N TYR A 92 48.165 0.722 38.635 1.00 39.21 N ATOM 1358 CA TYR A 92 47.961 -0.722 38.600 1.00 40.43 C ATOM 1359 C TYR A 92 48.683 -1.353 39.779 1.00 42.11 C ATOM 1360 O TYR A 92 49.828 -1.003 40.057 1.00 41.65 O ATOM 1361 CB TYR A 92 48.522 -1.275 37.292 1.00 40.20 C ATOM 1362 CG TYR A 92 48.340 -2.758 37.095 1.00 38.68 C ATOM 1363 CD1 TYR A 92 47.326 -3.241 36.280 1.00 38.60 C ATOM 1364 CD2 TYR A 92 49.230 -3.676 37.655 1.00 40.01 C ATOM 1365 CE1 TYR A 92 47.201 -4.592 36.009 1.00 39.57 C ATOM 1366 CE2 TYR A 92 49.116 -5.037 37.390 1.00 41.43 C ATOM 1367 CZ TYR A 92 48.098 -5.486 36.556 1.00 39.91 C ATOM 1368 OH TYR A 92 48.005 -6.813 36.211 1.00 39.61 O ATOM 1369 HA TYR A 92 46.897 -0.952 38.662 1.00 0.00 H ATOM 1370 HB3 TYR A 92 49.590 -1.059 37.264 1.00 0.00 H ATOM 1371 HB2 TYR A 92 48.027 -0.761 36.468 1.00 0.00 H ATOM 1372 HD2 TYR A 92 50.026 -3.321 38.310 1.00 0.00 H ATOM 1373 HE2 TYR A 92 49.818 -5.744 37.832 1.00 0.00 H ATOM 1374 HE1 TYR A 92 46.397 -4.949 35.366 1.00 0.00 H ATOM 1375 HD1 TYR A 92 46.613 -2.541 35.844 1.00 0.00 H ATOM 1376 HH TYR A 92 47.225 -6.944 35.616 1.00 0.00 H ATOM 1377 H TYR A 92 48.653 1.182 37.840 1.00 0.00 H ATOM 1378 N PRO A 93 48.036 -2.298 40.490 1.00 44.80 N ATOM 1379 CA PRO A 93 46.692 -2.886 40.362 1.00 44.18 C ATOM 1380 C PRO A 93 45.525 -2.056 40.931 1.00 43.65 C ATOM 1381 O PRO A 93 44.369 -2.474 40.859 1.00 42.51 O ATOM 1382 CB PRO A 93 46.824 -4.209 41.103 1.00 44.23 C ATOM 1383 CG PRO A 93 47.740 -3.866 42.235 1.00 44.89 C ATOM 1384 CD PRO A 93 48.770 -2.920 41.612 1.00 46.29 C ATOM 1385 HA PRO A 93 46.422 -2.963 39.309 1.00 0.00 H ATOM 1386 HD3 PRO A 93 49.093 -2.167 42.331 1.00 0.00 H ATOM 1387 HD2 PRO A 93 49.638 -3.472 41.251 1.00 0.00 H ATOM 1388 HG3 PRO A 93 48.224 -4.761 42.626 1.00 0.00 H ATOM 1389 HG2 PRO A 93 47.194 -3.369 43.037 1.00 0.00 H ATOM 1390 HB2 PRO A 93 45.857 -4.552 41.470 1.00 0.00 H ATOM 1391 HB3 PRO A 93 47.260 -4.976 40.463 1.00 0.00 H ATOM 1392 N ASN A 94 45.823 -0.906 41.523 1.00 42.27 N ATOM 1393 CA ASN A 94 44.765 -0.066 42.056 1.00 41.31 C ATOM 1394 C ASN A 94 44.299 0.896 40.971 1.00 39.04 C ATOM 1395 O ASN A 94 44.364 2.119 41.117 1.00 38.19 O ATOM 1396 CB ASN A 94 45.243 0.720 43.275 1.00 44.05 C ATOM 1397 CG ASN A 94 44.306 0.580 44.456 1.00 47.21 C ATOM 1398 OD1 ASN A 94 44.303 -0.450 45.133 1.00 50.23 O ATOM 1399 ND2 ASN A 94 43.502 1.615 44.712 1.00 47.67 N ATOM 1400 HA ASN A 94 43.939 -0.704 42.372 1.00 0.00 H ATOM 1401 HB2 ASN A 94 46.228 0.353 43.564 1.00 0.00 H ATOM 1402 HB3 ASN A 94 45.313 1.774 43.007 1.00 0.00 H ATOM 1403 HD22 ASN A 94 43.540 2.464 44.112 1.00 0.00 H ATOM 1404 HD21 ASN A 94 42.838 1.572 45.511 1.00 0.00 H ATOM 1405 H ASN A 94 46.815 -0.606 41.605 1.00 0.00 H ATOM 1406 N CYS A 95 43.845 0.325 39.868 1.00 35.87 N ATOM 1407 CA CYS A 95 43.330 1.102 38.763 1.00 33.00 C ATOM 1408 C CYS A 95 42.275 2.091 39.267 1.00 31.51 C ATOM 1409 O CYS A 95 41.369 1.717 40.005 1.00 32.36 O ATOM 1410 CB CYS A 95 42.718 0.151 37.746 1.00 33.90 C ATOM 1411 SG CYS A 95 43.979 -0.919 36.992 1.00 29.86 S ATOM 1412 HA CYS A 95 44.136 1.669 38.297 1.00 0.00 H ATOM 1413 HB2 CYS A 95 42.233 0.734 36.963 1.00 0.00 H ATOM 1414 HB3 CYS A 95 41.976 -0.473 38.245 1.00 0.00 H ATOM 1415 H CYS A 95 43.859 -0.712 39.793 1.00 0.00 H ATOM 1416 N ALA A 96 42.404 3.357 38.883 1.00 30.01 N ATOM 1417 CA ALA A 96 41.456 4.391 39.304 1.00 28.30 C ATOM 1418 C ALA A 96 40.796 5.016 38.073 1.00 28.04 C ATOM 1419 O ALA A 96 41.454 5.235 37.052 1.00 25.71 O ATOM 1420 CB ALA A 96 42.174 5.464 40.134 1.00 30.48 C ATOM 1421 HA ALA A 96 40.684 3.938 39.926 1.00 0.00 H ATOM 1422 HB1 ALA A 96 42.615 5.003 41.018 1.00 0.00 H ATOM 1423 HB2 ALA A 96 42.958 5.923 39.532 1.00 0.00 H ATOM 1424 HB3 ALA A 96 41.457 6.226 40.440 1.00 0.00 H ATOM 1425 H ALA A 96 43.199 3.620 38.267 1.00 0.00 H ATOM 1426 N TYR A 97 39.500 5.316 38.179 1.00 25.94 N ATOM 1427 CA TYR A 97 38.756 5.861 37.053 1.00 24.59 C ATOM 1428 C TYR A 97 37.878 7.054 37.366 1.00 25.24 C ATOM 1429 O TYR A 97 37.434 7.257 38.502 1.00 25.49 O ATOM 1430 CB TYR A 97 37.870 4.765 36.433 1.00 22.94 C ATOM 1431 CG TYR A 97 38.650 3.621 35.830 1.00 23.46 C ATOM 1432 CD1 TYR A 97 39.052 2.529 36.612 1.00 22.83 C ATOM 1433 CD2 TYR A 97 39.053 3.661 34.491 1.00 26.15 C ATOM 1434 CE1 TYR A 97 39.845 1.509 36.069 1.00 23.29 C ATOM 1435 CE2 TYR A 97 39.848 2.645 33.939 1.00 26.43 C ATOM 1436 CZ TYR A 97 40.239 1.578 34.734 1.00 25.24 C ATOM 1437 OH TYR A 97 41.028 0.596 34.186 1.00 28.13 O ATOM 1438 HA TYR A 97 39.523 6.216 36.365 1.00 0.00 H ATOM 1439 HB3 TYR A 97 37.261 5.217 35.650 1.00 0.00 H ATOM 1440 HB2 TYR A 97 37.220 4.366 37.212 1.00 0.00 H ATOM 1441 HD2 TYR A 97 38.744 4.497 33.864 1.00 0.00 H ATOM 1442 HE2 TYR A 97 40.156 2.694 32.894 1.00 0.00 H ATOM 1443 HE1 TYR A 97 40.152 0.666 36.688 1.00 0.00 H ATOM 1444 HD1 TYR A 97 38.744 2.473 37.656 1.00 0.00 H ATOM 1445 HH TYR A 97 40.553 0.179 33.424 1.00 0.00 H ATOM 1446 H TYR A 97 39.012 5.157 39.084 1.00 0.00 H ATOM 1447 N LYS A 98 37.645 7.856 36.337 1.00 24.68 N ATOM 1448 CA LYS A 98 36.764 8.998 36.461 1.00 26.34 C ATOM 1449 C LYS A 98 35.453 8.484 35.860 1.00 25.13 C ATOM 1450 O LYS A 98 35.469 7.760 34.865 1.00 26.12 O ATOM 1451 CB LYS A 98 37.289 10.189 35.655 1.00 25.30 C ATOM 1452 CG LYS A 98 36.272 11.304 35.495 1.00 25.12 C ATOM 1453 CD LYS A 98 36.654 12.225 34.362 1.00 30.91 C ATOM 1454 CE LYS A 98 36.438 13.692 34.746 1.00 37.78 C ATOM 1455 NZ LYS A 98 36.839 14.644 33.652 1.00 41.16 N ATOM 1456 HA LYS A 98 36.667 9.352 37.487 1.00 0.00 H ATOM 1457 HB2 LYS A 98 38.166 10.591 36.163 1.00 0.00 H ATOM 1458 HB3 LYS A 98 37.575 9.837 34.664 1.00 0.00 H ATOM 1459 HG2 LYS A 98 35.295 10.868 35.287 1.00 0.00 H ATOM 1460 HG3 LYS A 98 36.223 11.878 36.420 1.00 0.00 H ATOM 1461 HD2 LYS A 98 37.705 12.072 34.118 1.00 0.00 H ATOM 1462 HD3 LYS A 98 36.042 11.991 33.491 1.00 0.00 H ATOM 1463 HE2 LYS A 98 37.031 13.911 35.634 1.00 0.00 H ATOM 1464 HE3 LYS A 98 35.382 13.842 34.970 1.00 0.00 H ATOM 1465 HZ1 LYS A 98 37.848 14.516 33.435 1.00 0.00 H ATOM 1466 HZ2 LYS A 98 36.273 14.450 32.801 1.00 0.00 H ATOM 1467 HZ3 LYS A 98 36.672 15.621 33.966 1.00 0.00 H ATOM 1468 H LYS A 98 38.103 7.661 35.424 1.00 0.00 H ATOM 1469 N THR A 99 34.330 8.826 36.481 1.00 25.16 N ATOM 1470 CA THR A 99 33.034 8.393 35.979 1.00 25.78 C ATOM 1471 C THR A 99 32.288 9.591 35.373 1.00 24.12 C ATOM 1472 O THR A 99 32.163 10.634 35.990 1.00 25.34 O ATOM 1473 CB THR A 99 32.162 7.742 37.108 1.00 25.45 C ATOM 1474 OG1 THR A 99 32.784 6.543 37.595 1.00 23.24 O ATOM 1475 CG2 THR A 99 30.803 7.366 36.563 1.00 27.53 C ATOM 1476 HA THR A 99 33.207 7.637 35.213 1.00 0.00 H ATOM 1477 HB THR A 99 32.064 8.469 37.914 1.00 0.00 H ATOM 1478 HG1 THR A 99 32.882 5.898 36.851 1.00 0.00 H ATOM 1479 HG23 THR A 99 30.305 8.259 36.185 1.00 0.00 H ATOM 1480 HG21 THR A 99 30.924 6.646 35.754 1.00 0.00 H ATOM 1481 HG22 THR A 99 30.204 6.924 37.359 1.00 0.00 H ATOM 1482 H THR A 99 34.377 9.412 37.339 1.00 0.00 H ATOM 1483 N THR A 100 31.816 9.433 34.146 1.00 24.90 N ATOM 1484 CA THR A 100 31.081 10.486 33.463 1.00 25.80 C ATOM 1485 C THR A 100 29.807 9.915 32.831 1.00 25.22 C ATOM 1486 O THR A 100 29.855 9.003 32.002 1.00 23.22 O ATOM 1487 CB THR A 100 31.921 11.134 32.344 1.00 25.69 C ATOM 1488 OG1 THR A 100 33.194 11.522 32.861 1.00 27.55 O ATOM 1489 CG2 THR A 100 31.221 12.359 31.804 1.00 29.13 C ATOM 1490 HA THR A 100 30.837 11.241 34.210 1.00 0.00 H ATOM 1491 HB THR A 100 32.049 10.407 31.542 1.00 0.00 H ATOM 1492 HG1 THR A 100 33.666 10.723 33.206 1.00 0.00 H ATOM 1493 HG23 THR A 100 30.247 12.074 31.406 1.00 0.00 H ATOM 1494 HG21 THR A 100 31.089 13.084 32.607 1.00 0.00 H ATOM 1495 HG22 THR A 100 31.824 12.800 31.010 1.00 0.00 H ATOM 1496 H THR A 100 31.976 8.529 33.656 1.00 0.00 H ATOM 1497 N GLN A 101 28.665 10.452 33.238 1.00 25.17 N ATOM 1498 CA GLN A 101 27.392 10.014 32.693 1.00 23.46 C ATOM 1499 C GLN A 101 27.054 10.907 31.533 1.00 20.98 C ATOM 1500 O GLN A 101 27.296 12.108 31.599 1.00 21.18 O ATOM 1501 CB GLN A 101 26.282 10.146 33.723 1.00 25.70 C ATOM 1502 CG GLN A 101 24.896 9.887 33.144 1.00 29.66 C ATOM 1503 CD GLN A 101 24.742 8.491 32.533 1.00 27.10 C ATOM 1504 OE1 GLN A 101 23.959 8.295 31.595 1.00 24.32 O ATOM 1505 NE2 GLN A 101 25.486 7.518 33.070 1.00 24.83 N ATOM 1506 HA GLN A 101 27.476 8.969 32.394 1.00 0.00 H ATOM 1507 HB2 GLN A 101 26.464 9.429 34.523 1.00 0.00 H ATOM 1508 HB3 GLN A 101 26.305 11.157 34.131 1.00 0.00 H ATOM 1509 HG2 GLN A 101 24.162 9.998 33.942 1.00 0.00 H ATOM 1510 HG3 GLN A 101 24.702 10.627 32.368 1.00 0.00 H ATOM 1511 HE22 GLN A 101 26.131 7.731 33.858 1.00 0.00 H ATOM 1512 HE21 GLN A 101 25.420 6.548 32.700 1.00 0.00 H ATOM 1513 H GLN A 101 28.681 11.200 33.960 1.00 0.00 H ATOM 1514 N ALA A 102 26.482 10.319 30.484 1.00 20.04 N ATOM 1515 CA ALA A 102 26.092 11.061 29.286 1.00 19.81 C ATOM 1516 C ALA A 102 24.970 10.363 28.509 1.00 19.51 C ATOM 1517 O ALA A 102 24.687 9.179 28.691 1.00 17.81 O ATOM 1518 CB ALA A 102 27.316 11.254 28.366 1.00 20.28 C ATOM 1519 HA ALA A 102 25.713 12.029 29.614 1.00 0.00 H ATOM 1520 HB1 ALA A 102 28.086 11.811 28.900 1.00 0.00 H ATOM 1521 HB2 ALA A 102 27.707 10.279 28.074 1.00 0.00 H ATOM 1522 HB3 ALA A 102 27.016 11.808 27.476 1.00 0.00 H ATOM 1523 H ALA A 102 26.306 9.295 30.518 1.00 0.00 H ATOM 1524 N ASN A 103 24.308 11.115 27.650 1.00 21.10 N ATOM 1525 CA ASN A 103 23.275 10.527 26.819 1.00 23.19 C ATOM 1526 C ASN A 103 23.730 10.803 25.410 1.00 21.07 C ATOM 1527 O ASN A 103 23.671 11.939 24.939 1.00 22.01 O ATOM 1528 CB ASN A 103 21.927 11.171 27.105 1.00 24.63 C ATOM 1529 CG ASN A 103 21.314 10.641 28.366 1.00 26.91 C ATOM 1530 OD1 ASN A 103 20.760 9.538 28.392 1.00 28.57 O ATOM 1531 ND2 ASN A 103 21.424 11.411 29.435 1.00 31.44 N ATOM 1532 HA ASN A 103 23.140 9.461 27.003 1.00 0.00 H ATOM 1533 HB2 ASN A 103 22.064 12.248 27.204 1.00 0.00 H ATOM 1534 HB3 ASN A 103 21.254 10.967 26.272 1.00 0.00 H ATOM 1535 HD22 ASN A 103 21.900 12.333 29.365 1.00 0.00 H ATOM 1536 HD21 ASN A 103 21.035 11.094 30.346 1.00 0.00 H ATOM 1537 H ASN A 103 24.527 12.128 27.569 1.00 0.00 H ATOM 1538 N LYS A 104 24.221 9.771 24.737 1.00 21.21 N ATOM 1539 CA LYS A 104 24.729 9.983 23.385 1.00 19.63 C ATOM 1540 C LYS A 104 24.486 8.827 22.447 1.00 16.30 C ATOM 1541 O LYS A 104 24.042 7.761 22.863 1.00 17.75 O ATOM 1542 CB LYS A 104 26.234 10.272 23.439 1.00 20.85 C ATOM 1543 CG LYS A 104 26.683 11.119 24.593 1.00 18.31 C ATOM 1544 CD LYS A 104 27.856 11.977 24.186 1.00 24.91 C ATOM 1545 CE LYS A 104 29.166 11.362 24.626 1.00 28.74 C ATOM 1546 NZ LYS A 104 30.329 12.197 24.217 1.00 34.94 N ATOM 1547 HA LYS A 104 24.174 10.832 22.986 1.00 0.00 H ATOM 1548 HB2 LYS A 104 26.759 9.318 23.497 1.00 0.00 H ATOM 1549 HB3 LYS A 104 26.512 10.783 22.517 1.00 0.00 H ATOM 1550 HG2 LYS A 104 25.861 11.760 24.910 1.00 0.00 H ATOM 1551 HG3 LYS A 104 26.979 10.473 25.420 1.00 0.00 H ATOM 1552 HD2 LYS A 104 27.860 12.082 23.101 1.00 0.00 H ATOM 1553 HD3 LYS A 104 27.753 12.960 24.645 1.00 0.00 H ATOM 1554 HE2 LYS A 104 29.263 10.375 24.174 1.00 0.00 H ATOM 1555 HE3 LYS A 104 29.164 11.265 25.712 1.00 0.00 H ATOM 1556 HZ1 LYS A 104 30.341 12.289 23.181 1.00 0.00 H ATOM 1557 HZ2 LYS A 104 30.247 13.139 24.649 1.00 0.00 H ATOM 1558 HZ3 LYS A 104 31.209 11.744 24.536 1.00 0.00 H ATOM 1559 H LYS A 104 24.244 8.824 25.166 1.00 0.00 H ATOM 1560 N HIS A 105 24.774 9.045 21.168 1.00 13.36 N ATOM 1561 CA HIS A 105 24.611 7.994 20.184 1.00 13.84 C ATOM 1562 C HIS A 105 25.827 7.116 20.335 1.00 14.47 C ATOM 1563 O HIS A 105 26.930 7.613 20.524 1.00 18.39 O ATOM 1564 CB HIS A 105 24.556 8.581 18.773 1.00 16.56 C ATOM 1565 CG HIS A 105 23.394 9.503 18.557 1.00 19.37 C ATOM 1566 ND1 HIS A 105 22.142 9.050 18.197 1.00 17.18 N ATOM 1567 CD2 HIS A 105 23.273 10.840 18.733 1.00 19.50 C ATOM 1568 CE1 HIS A 105 21.300 10.067 18.163 1.00 16.57 C ATOM 1569 NE2 HIS A 105 21.960 11.165 18.485 1.00 17.78 N ATOM 1570 HA HIS A 105 23.684 7.441 20.335 1.00 0.00 H ATOM 1571 HB2 HIS A 105 25.476 9.137 18.593 1.00 0.00 H ATOM 1572 HB3 HIS A 105 24.484 7.760 18.059 1.00 0.00 H ATOM 1573 HD2 HIS A 105 24.068 11.530 19.018 1.00 0.00 H ATOM 1574 HE1 HIS A 105 20.241 10.010 17.912 1.00 0.00 H ATOM 1575 H HIS A 105 25.120 9.980 20.870 1.00 0.00 H ATOM 1576 N ILE A 106 25.648 5.808 20.302 1.00 15.77 N ATOM 1577 CA ILE A 106 26.813 4.941 20.409 1.00 16.14 C ATOM 1578 C ILE A 106 27.145 4.400 19.026 1.00 15.24 C ATOM 1579 O ILE A 106 26.283 4.332 18.127 1.00 13.84 O ATOM 1580 CB ILE A 106 26.577 3.741 21.379 1.00 15.87 C ATOM 1581 CG1 ILE A 106 25.435 2.865 20.858 1.00 18.79 C ATOM 1582 CG2 ILE A 106 26.248 4.242 22.770 1.00 16.64 C ATOM 1583 CD1 ILE A 106 25.301 1.533 21.568 1.00 17.87 C ATOM 1584 HA ILE A 106 27.634 5.533 20.813 1.00 0.00 H ATOM 1585 HB ILE A 106 27.490 3.148 21.428 1.00 0.00 H ATOM 1586 HG12 ILE A 106 24.501 3.413 20.979 1.00 0.00 H ATOM 1587 HG13 ILE A 106 25.607 2.673 19.799 1.00 0.00 H ATOM 1588 HD11 ILE A 106 26.223 0.964 21.447 1.00 0.00 H ATOM 1589 HD12 ILE A 106 25.115 1.705 22.628 1.00 0.00 H ATOM 1590 HD13 ILE A 106 24.469 0.975 21.138 1.00 0.00 H ATOM 1591 HG21 ILE A 106 27.077 4.843 23.144 1.00 0.00 H ATOM 1592 HG22 ILE A 106 25.345 4.851 22.731 1.00 0.00 H ATOM 1593 HG23 ILE A 106 26.087 3.392 23.432 1.00 0.00 H ATOM 1594 H ILE A 106 24.694 5.405 20.202 1.00 0.00 H ATOM 1595 N ILE A 107 28.408 4.037 18.848 1.00 14.81 N ATOM 1596 CA ILE A 107 28.847 3.468 17.587 1.00 15.71 C ATOM 1597 C ILE A 107 29.532 2.167 17.955 1.00 16.59 C ATOM 1598 O ILE A 107 30.506 2.155 18.710 1.00 17.96 O ATOM 1599 CB ILE A 107 29.837 4.393 16.824 1.00 14.46 C ATOM 1600 CG1 ILE A 107 29.120 5.659 16.347 1.00 13.73 C ATOM 1601 CG2 ILE A 107 30.365 3.681 15.605 1.00 12.19 C ATOM 1602 CD1 ILE A 107 30.032 6.840 16.157 1.00 14.03 C ATOM 1603 HA ILE A 107 27.999 3.329 16.917 1.00 0.00 H ATOM 1604 HB ILE A 107 30.650 4.652 17.502 1.00 0.00 H ATOM 1605 HG12 ILE A 107 28.636 5.442 15.395 1.00 0.00 H ATOM 1606 HG13 ILE A 107 28.363 5.924 17.085 1.00 0.00 H ATOM 1607 HD11 ILE A 107 30.516 7.080 17.104 1.00 0.00 H ATOM 1608 HD12 ILE A 107 30.789 6.597 15.412 1.00 0.00 H ATOM 1609 HD13 ILE A 107 29.449 7.697 15.818 1.00 0.00 H ATOM 1610 HG21 ILE A 107 30.884 2.773 15.912 1.00 0.00 H ATOM 1611 HG22 ILE A 107 29.534 3.422 14.949 1.00 0.00 H ATOM 1612 HG23 ILE A 107 31.058 4.335 15.075 1.00 0.00 H ATOM 1613 H ILE A 107 29.092 4.162 19.621 1.00 0.00 H ATOM 1614 N VAL A 108 28.992 1.067 17.445 1.00 18.37 N ATOM 1615 CA VAL A 108 29.566 -0.244 17.723 1.00 18.22 C ATOM 1616 C VAL A 108 29.874 -1.001 16.416 1.00 18.05 C ATOM 1617 O VAL A 108 29.279 -0.722 15.356 1.00 15.34 O ATOM 1618 CB VAL A 108 28.603 -1.093 18.621 1.00 16.00 C ATOM 1619 CG1 VAL A 108 28.379 -0.382 19.954 1.00 14.45 C ATOM 1620 CG2 VAL A 108 27.267 -1.312 17.904 1.00 14.65 C ATOM 1621 HA VAL A 108 30.501 -0.089 18.261 1.00 0.00 H ATOM 1622 HB VAL A 108 29.058 -2.065 18.810 1.00 0.00 H ATOM 1623 HG11 VAL A 108 29.334 -0.259 20.464 1.00 0.00 H ATOM 1624 HG12 VAL A 108 27.935 0.597 19.772 1.00 0.00 H ATOM 1625 HG13 VAL A 108 27.709 -0.977 20.574 1.00 0.00 H ATOM 1626 HG21 VAL A 108 26.805 -0.347 17.697 1.00 0.00 H ATOM 1627 HG22 VAL A 108 27.441 -1.841 16.967 1.00 0.00 H ATOM 1628 HG23 VAL A 108 26.608 -1.903 18.539 1.00 0.00 H ATOM 1629 H VAL A 108 28.149 1.141 16.840 1.00 0.00 H ATOM 1630 N ALA A 109 30.820 -1.938 16.510 1.00 16.33 N ATOM 1631 CA ALA A 109 31.210 -2.778 15.384 1.00 16.15 C ATOM 1632 C ALA A 109 30.539 -4.129 15.582 1.00 15.00 C ATOM 1633 O ALA A 109 30.612 -4.720 16.666 1.00 15.64 O ATOM 1634 CB ALA A 109 32.713 -2.954 15.344 1.00 14.73 C ATOM 1635 HA ALA A 109 30.905 -2.319 14.444 1.00 0.00 H ATOM 1636 HB1 ALA A 109 33.189 -1.979 15.239 1.00 0.00 H ATOM 1637 HB2 ALA A 109 33.047 -3.425 16.268 1.00 0.00 H ATOM 1638 HB3 ALA A 109 32.981 -3.584 14.496 1.00 0.00 H ATOM 1639 H ALA A 109 31.298 -2.074 17.423 1.00 0.00 H ATOM 1640 N CYS A 110 29.890 -4.619 14.535 1.00 14.15 N ATOM 1641 CA CYS A 110 29.200 -5.900 14.612 1.00 14.41 C ATOM 1642 C CYS A 110 29.796 -6.941 13.661 1.00 14.85 C ATOM 1643 O CYS A 110 30.333 -6.605 12.604 1.00 14.97 O ATOM 1644 CB CYS A 110 27.706 -5.705 14.323 1.00 16.29 C ATOM 1645 SG CYS A 110 26.930 -4.291 15.176 1.00 17.78 S ATOM 1646 HA CYS A 110 29.330 -6.283 15.624 1.00 0.00 H ATOM 1647 HB2 CYS A 110 27.182 -6.611 14.626 1.00 0.00 H ATOM 1648 HB3 CYS A 110 27.586 -5.559 13.249 1.00 0.00 H ATOM 1649 H CYS A 110 29.873 -4.081 13.645 1.00 0.00 H ATOM 1650 N GLU A 111 29.697 -8.206 14.057 1.00 13.90 N ATOM 1651 CA GLU A 111 30.243 -9.310 13.272 1.00 14.71 C ATOM 1652 C GLU A 111 29.428 -10.576 13.486 1.00 16.91 C ATOM 1653 O GLU A 111 28.696 -10.700 14.480 1.00 17.56 O ATOM 1654 CB GLU A 111 31.688 -9.637 13.707 1.00 16.01 C ATOM 1655 CG GLU A 111 32.742 -8.581 13.438 1.00 16.60 C ATOM 1656 CD GLU A 111 34.158 -9.165 13.457 1.00 20.94 C ATOM 1657 OE1 GLU A 111 34.587 -9.664 14.513 1.00 23.05 O ATOM 1658 OE2 GLU A 111 34.838 -9.127 12.414 1.00 23.14 O ATOM 1659 HA GLU A 111 30.215 -8.997 12.228 1.00 0.00 H ATOM 1660 HB2 GLU A 111 31.675 -9.823 14.781 1.00 0.00 H ATOM 1661 HB3 GLU A 111 31.991 -10.545 13.186 1.00 0.00 H ATOM 1662 HG2 GLU A 111 32.556 -8.140 12.459 1.00 0.00 H ATOM 1663 HG3 GLU A 111 32.670 -7.808 14.203 1.00 0.00 H ATOM 1664 H GLU A 111 29.215 -8.416 14.954 1.00 0.00 H ATOM 1665 N GLY A 112 29.583 -11.510 12.548 1.00 17.64 N ATOM 1666 CA GLY A 112 28.947 -12.805 12.650 1.00 20.11 C ATOM 1667 C GLY A 112 27.486 -12.997 12.331 1.00 20.76 C ATOM 1668 O GLY A 112 26.816 -12.112 11.799 1.00 20.22 O ATOM 1669 HA3 GLY A 112 29.082 -13.133 13.681 1.00 0.00 H ATOM 1670 HA2 GLY A 112 29.497 -13.470 11.984 1.00 0.00 H ATOM 1671 H GLY A 112 30.177 -11.302 11.720 1.00 0.00 H ATOM 1672 N ASN A 113 27.022 -14.200 12.663 1.00 22.53 N ATOM 1673 CA ASN A 113 25.643 -14.636 12.457 1.00 25.28 C ATOM 1674 C ASN A 113 25.194 -15.469 13.666 1.00 24.90 C ATOM 1675 O ASN A 113 25.605 -16.626 13.819 1.00 23.80 O ATOM 1676 CB ASN A 113 25.547 -15.480 11.189 1.00 29.39 C ATOM 1677 CG ASN A 113 24.134 -15.558 10.658 1.00 32.86 C ATOM 1678 OD1 ASN A 113 23.195 -15.149 11.339 1.00 32.67 O ATOM 1679 ND2 ASN A 113 23.974 -16.075 9.437 1.00 35.92 N ATOM 1680 HA ASN A 113 24.999 -13.763 12.350 1.00 0.00 H ATOM 1681 HB2 ASN A 113 26.185 -15.038 10.424 1.00 0.00 H ATOM 1682 HB3 ASN A 113 25.894 -16.489 11.412 1.00 0.00 H ATOM 1683 HD22 ASN A 113 24.801 -16.407 8.901 1.00 0.00 H ATOM 1684 HD21 ASN A 113 23.023 -16.145 9.023 1.00 0.00 H ATOM 1685 H ASN A 113 27.685 -14.873 13.097 1.00 0.00 H ATOM 1686 N PRO A 114 24.310 -14.909 14.509 1.00 23.39 N ATOM 1687 CA PRO A 114 23.741 -13.570 14.337 1.00 23.06 C ATOM 1688 C PRO A 114 24.735 -12.408 14.361 1.00 19.92 C ATOM 1689 O PRO A 114 25.781 -12.474 15.003 1.00 19.26 O ATOM 1690 CB PRO A 114 22.696 -13.464 15.459 1.00 23.93 C ATOM 1691 CG PRO A 114 22.600 -14.830 16.060 1.00 24.66 C ATOM 1692 CD PRO A 114 23.878 -15.521 15.776 1.00 22.25 C ATOM 1693 HA PRO A 114 23.325 -13.471 13.335 1.00 0.00 H ATOM 1694 HD3 PRO A 114 24.606 -15.340 16.567 1.00 0.00 H ATOM 1695 HD2 PRO A 114 23.727 -16.594 15.662 1.00 0.00 H ATOM 1696 HG3 PRO A 114 21.771 -15.378 15.613 1.00 0.00 H ATOM 1697 HG2 PRO A 114 22.446 -14.755 17.136 1.00 0.00 H ATOM 1698 HB2 PRO A 114 23.017 -12.741 16.209 1.00 0.00 H ATOM 1699 HB3 PRO A 114 21.732 -13.160 15.052 1.00 0.00 H ATOM 1700 N TYR A 115 24.370 -11.352 13.642 1.00 18.53 N ATOM 1701 CA TYR A 115 25.142 -10.112 13.508 1.00 15.61 C ATOM 1702 C TYR A 115 24.917 -9.269 14.764 1.00 17.01 C ATOM 1703 O TYR A 115 23.941 -8.523 14.862 1.00 15.78 O ATOM 1704 CB TYR A 115 24.648 -9.353 12.271 1.00 15.23 C ATOM 1705 CG TYR A 115 25.640 -8.368 11.715 1.00 14.17 C ATOM 1706 CD1 TYR A 115 26.927 -8.775 11.355 1.00 13.31 C ATOM 1707 CD2 TYR A 115 25.287 -7.035 11.520 1.00 13.75 C ATOM 1708 CE1 TYR A 115 27.848 -7.871 10.808 1.00 14.27 C ATOM 1709 CE2 TYR A 115 26.199 -6.122 10.973 1.00 16.78 C ATOM 1710 CZ TYR A 115 27.480 -6.556 10.621 1.00 17.18 C ATOM 1711 OH TYR A 115 28.386 -5.670 10.081 1.00 17.76 O ATOM 1712 HA TYR A 115 26.205 -10.326 13.395 1.00 0.00 H ATOM 1713 HB3 TYR A 115 23.742 -8.811 12.542 1.00 0.00 H ATOM 1714 HB2 TYR A 115 24.416 -10.081 11.493 1.00 0.00 H ATOM 1715 HD2 TYR A 115 24.288 -6.697 11.796 1.00 0.00 H ATOM 1716 HE2 TYR A 115 25.911 -5.081 10.823 1.00 0.00 H ATOM 1717 HE1 TYR A 115 28.848 -8.206 10.532 1.00 0.00 H ATOM 1718 HD1 TYR A 115 27.220 -9.814 11.502 1.00 0.00 H ATOM 1719 HH TYR A 115 28.020 -5.298 9.240 1.00 0.00 H ATOM 1720 H TYR A 115 23.465 -11.409 13.134 1.00 0.00 H ATOM 1721 N VAL A 116 25.841 -9.382 15.713 1.00 18.06 N ATOM 1722 CA VAL A 116 25.742 -8.704 17.002 1.00 16.78 C ATOM 1723 C VAL A 116 26.973 -7.858 17.334 1.00 16.69 C ATOM 1724 O VAL A 116 28.014 -8.010 16.714 1.00 15.41 O ATOM 1725 CB VAL A 116 25.538 -9.759 18.102 1.00 17.80 C ATOM 1726 CG1 VAL A 116 24.187 -10.451 17.896 1.00 16.04 C ATOM 1727 CG2 VAL A 116 26.687 -10.791 18.041 1.00 16.42 C ATOM 1728 HA VAL A 116 24.895 -8.020 16.946 1.00 0.00 H ATOM 1729 HB VAL A 116 25.545 -9.282 19.082 1.00 0.00 H ATOM 1730 HG11 VAL A 116 23.389 -9.710 17.948 1.00 0.00 H ATOM 1731 HG12 VAL A 116 24.173 -10.934 16.919 1.00 0.00 H ATOM 1732 HG13 VAL A 116 24.041 -11.199 18.675 1.00 0.00 H ATOM 1733 HG21 VAL A 116 26.686 -11.276 17.065 1.00 0.00 H ATOM 1734 HG22 VAL A 116 27.639 -10.283 18.195 1.00 0.00 H ATOM 1735 HG23 VAL A 116 26.543 -11.539 18.820 1.00 0.00 H ATOM 1736 H VAL A 116 26.672 -9.980 15.529 1.00 0.00 H ATOM 1737 N PRO A 117 26.857 -6.944 18.318 1.00 18.72 N ATOM 1738 CA PRO A 117 27.996 -6.091 18.693 1.00 18.32 C ATOM 1739 C PRO A 117 29.170 -6.858 19.306 1.00 18.04 C ATOM 1740 O PRO A 117 28.989 -7.714 20.179 1.00 16.90 O ATOM 1741 CB PRO A 117 27.380 -5.067 19.664 1.00 18.23 C ATOM 1742 CG PRO A 117 25.849 -5.162 19.431 1.00 16.74 C ATOM 1743 CD PRO A 117 25.652 -6.620 19.114 1.00 17.06 C ATOM 1744 HA PRO A 117 28.453 -5.624 17.821 1.00 0.00 H ATOM 1745 HD3 PRO A 117 25.609 -7.218 20.024 1.00 0.00 H ATOM 1746 HD2 PRO A 117 24.743 -6.777 18.534 1.00 0.00 H ATOM 1747 HG3 PRO A 117 25.538 -4.533 18.597 1.00 0.00 H ATOM 1748 HG2 PRO A 117 25.296 -4.876 20.326 1.00 0.00 H ATOM 1749 HB2 PRO A 117 27.627 -5.320 20.695 1.00 0.00 H ATOM 1750 HB3 PRO A 117 27.740 -4.063 19.441 1.00 0.00 H ATOM 1751 N VAL A 118 30.372 -6.563 18.818 1.00 16.26 N ATOM 1752 CA VAL A 118 31.573 -7.226 19.313 1.00 15.77 C ATOM 1753 C VAL A 118 32.615 -6.203 19.733 1.00 16.36 C ATOM 1754 O VAL A 118 33.612 -6.548 20.360 1.00 18.45 O ATOM 1755 CB VAL A 118 32.192 -8.177 18.245 1.00 16.80 C ATOM 1756 CG1 VAL A 118 31.232 -9.298 17.934 1.00 15.82 C ATOM 1757 CG2 VAL A 118 32.542 -7.412 16.966 1.00 14.94 C ATOM 1758 HA VAL A 118 31.274 -7.822 20.175 1.00 0.00 H ATOM 1759 HB VAL A 118 33.112 -8.596 18.652 1.00 0.00 H ATOM 1760 HG11 VAL A 118 31.029 -9.863 18.844 1.00 0.00 H ATOM 1761 HG12 VAL A 118 30.302 -8.881 17.548 1.00 0.00 H ATOM 1762 HG13 VAL A 118 31.674 -9.957 17.187 1.00 0.00 H ATOM 1763 HG21 VAL A 118 31.638 -6.963 16.554 1.00 0.00 H ATOM 1764 HG22 VAL A 118 33.264 -6.629 17.198 1.00 0.00 H ATOM 1765 HG23 VAL A 118 32.972 -8.100 16.239 1.00 0.00 H ATOM 1766 H VAL A 118 30.457 -5.846 18.069 1.00 0.00 H ATOM 1767 N HIS A 119 32.359 -4.937 19.417 1.00 14.50 N ATOM 1768 CA HIS A 119 33.292 -3.876 19.743 1.00 15.76 C ATOM 1769 C HIS A 119 32.575 -2.521 19.905 1.00 15.78 C ATOM 1770 O HIS A 119 31.634 -2.211 19.143 1.00 17.21 O ATOM 1771 CB HIS A 119 34.359 -3.832 18.615 1.00 13.93 C ATOM 1772 CG HIS A 119 35.113 -2.540 18.506 1.00 8.43 C ATOM 1773 ND1 HIS A 119 36.216 -2.253 19.279 1.00 12.15 N ATOM 1774 CD2 HIS A 119 34.940 -1.473 17.689 1.00 9.88 C ATOM 1775 CE1 HIS A 119 36.691 -1.063 18.945 1.00 12.37 C ATOM 1776 NE2 HIS A 119 35.935 -0.568 17.981 1.00 12.21 N ATOM 1777 HA HIS A 119 33.770 -4.075 20.702 1.00 0.00 H ATOM 1778 HB2 HIS A 119 35.079 -4.630 18.799 1.00 0.00 H ATOM 1779 HB3 HIS A 119 33.855 -4.011 17.665 1.00 0.00 H ATOM 1780 HD2 HIS A 119 34.158 -1.354 16.939 1.00 0.00 H ATOM 1781 HE1 HIS A 119 37.558 -0.575 19.390 1.00 0.00 H ATOM 1782 H HIS A 119 31.472 -4.703 18.926 1.00 0.00 H ATOM 1783 N PHE A 120 32.998 -1.739 20.912 1.00 16.39 N ATOM 1784 CA PHE A 120 32.455 -0.386 21.132 1.00 14.16 C ATOM 1785 C PHE A 120 33.437 0.580 20.491 1.00 14.85 C ATOM 1786 O PHE A 120 34.555 0.755 20.980 1.00 15.73 O ATOM 1787 CB PHE A 120 32.346 -0.031 22.612 1.00 16.13 C ATOM 1788 CG PHE A 120 31.625 1.282 22.862 1.00 17.79 C ATOM 1789 CD1 PHE A 120 30.266 1.290 23.204 1.00 18.12 C ATOM 1790 CD2 PHE A 120 32.295 2.500 22.725 1.00 14.14 C ATOM 1791 CE1 PHE A 120 29.589 2.486 23.402 1.00 14.76 C ATOM 1792 CE2 PHE A 120 31.627 3.711 22.923 1.00 14.15 C ATOM 1793 CZ PHE A 120 30.271 3.704 23.262 1.00 15.89 C ATOM 1794 HA PHE A 120 31.452 -0.334 20.708 1.00 0.00 H ATOM 1795 HB2 PHE A 120 31.802 -0.827 23.120 1.00 0.00 H ATOM 1796 HB3 PHE A 120 33.352 0.042 23.026 1.00 0.00 H ATOM 1797 HD2 PHE A 120 33.352 2.506 22.460 1.00 0.00 H ATOM 1798 HE2 PHE A 120 32.160 4.655 22.814 1.00 0.00 H ATOM 1799 HZ PHE A 120 29.743 4.645 23.418 1.00 0.00 H ATOM 1800 HE1 PHE A 120 28.531 2.479 23.665 1.00 0.00 H ATOM 1801 HD1 PHE A 120 29.734 0.345 23.316 1.00 0.00 H ATOM 1802 H PHE A 120 33.731 -2.099 21.556 1.00 0.00 H ATOM 1803 N ASP A 121 33.021 1.217 19.407 1.00 14.56 N ATOM 1804 CA ASP A 121 33.914 2.117 18.708 1.00 16.46 C ATOM 1805 C ASP A 121 33.946 3.541 19.218 1.00 17.80 C ATOM 1806 O ASP A 121 35.030 4.111 19.445 1.00 20.02 O ATOM 1807 CB ASP A 121 33.588 2.119 17.218 1.00 16.28 C ATOM 1808 CG ASP A 121 34.828 2.339 16.352 1.00 17.43 C ATOM 1809 OD1 ASP A 121 35.855 1.663 16.594 1.00 17.28 O ATOM 1810 OD2 ASP A 121 34.773 3.183 15.440 1.00 14.87 O ATOM 1811 HA ASP A 121 34.911 1.722 18.901 1.00 0.00 H ATOM 1812 HB2 ASP A 121 33.143 1.159 16.955 1.00 0.00 H ATOM 1813 HB3 ASP A 121 32.874 2.917 17.016 1.00 0.00 H ATOM 1814 H ASP A 121 32.052 1.071 19.058 1.00 0.00 H ATOM 1815 N ALA A 122 32.769 4.125 19.409 1.00 17.12 N ATOM 1816 CA ALA A 122 32.719 5.500 19.868 1.00 17.55 C ATOM 1817 C ALA A 122 31.320 5.938 20.277 1.00 17.47 C ATOM 1818 O ALA A 122 30.348 5.221 20.061 1.00 14.34 O ATOM 1819 CB ALA A 122 33.246 6.421 18.752 1.00 17.33 C ATOM 1820 HA ALA A 122 33.344 5.572 20.758 1.00 0.00 H ATOM 1821 HB1 ALA A 122 34.275 6.150 18.514 1.00 0.00 H ATOM 1822 HB2 ALA A 122 32.624 6.307 17.864 1.00 0.00 H ATOM 1823 HB3 ALA A 122 33.211 7.457 19.091 1.00 0.00 H ATOM 1824 H ALA A 122 31.889 3.600 19.231 1.00 0.00 H ATOM 1825 N SER A 123 31.244 7.117 20.889 1.00 17.57 N ATOM 1826 CA SER A 123 29.969 7.709 21.284 1.00 19.04 C ATOM 1827 C SER A 123 30.052 9.125 20.707 1.00 17.70 C ATOM 1828 O SER A 123 31.124 9.718 20.678 1.00 18.03 O ATOM 1829 CB SER A 123 29.806 7.710 22.816 1.00 18.31 C ATOM 1830 OG SER A 123 30.253 8.913 23.410 1.00 23.21 O ATOM 1831 HA SER A 123 29.102 7.160 20.918 1.00 0.00 H ATOM 1832 HB2 SER A 123 30.381 6.882 23.229 1.00 0.00 H ATOM 1833 HB3 SER A 123 28.751 7.573 23.055 1.00 0.00 H ATOM 1834 HG SER A 123 30.127 8.862 24.391 1.00 0.00 H ATOM 1835 H SER A 123 32.123 7.635 21.093 1.00 0.00 H ATOM 1836 N VAL A 124 28.934 9.653 20.216 1.00 19.10 N ATOM 1837 CA VAL A 124 28.938 10.973 19.605 1.00 18.48 C ATOM 1838 C VAL A 124 27.730 11.811 19.992 1.00 20.05 C ATOM 1839 O VAL A 124 26.782 11.241 20.567 1.00 18.38 O ATOM 1840 CB VAL A 124 28.964 10.865 18.055 1.00 19.55 C ATOM 1841 CG1 VAL A 124 30.337 10.415 17.592 1.00 19.59 C ATOM 1842 CG2 VAL A 124 27.875 9.880 17.565 1.00 16.58 C ATOM 1843 HA VAL A 124 29.837 11.464 19.977 1.00 0.00 H ATOM 1844 OXT VAL A 124 27.750 13.023 19.684 1.00 17.81 O ATOM 1845 HB VAL A 124 28.754 11.846 17.628 1.00 0.00 H ATOM 1846 HG11 VAL A 124 31.084 11.140 17.915 1.00 0.00 H ATOM 1847 HG12 VAL A 124 30.564 9.441 18.025 1.00 0.00 H ATOM 1848 HG13 VAL A 124 30.346 10.342 16.504 1.00 0.00 H ATOM 1849 HG21 VAL A 124 28.059 8.895 17.993 1.00 0.00 H ATOM 1850 HG22 VAL A 124 26.895 10.238 17.880 1.00 0.00 H ATOM 1851 HG23 VAL A 124 27.907 9.816 16.477 1.00 0.00 H ATOM 1852 H VAL A 124 28.046 9.115 20.270 1.00 0.00 H TER 1853 VAL A 124 HETATM 1854 O HOH 1 13.837 -2.931 25.043 1.00 23.37 O HETATM 1855 O HOH 2 14.095 -4.182 21.213 1.00 28.88 O HETATM 1856 O HOH 3 17.216 -6.237 19.168 1.00 22.56 O HETATM 1857 O HOH 4 17.571 -2.339 14.350 1.00 39.93 O HETATM 1858 O HOH 5 17.862 0.401 19.397 1.00 20.81 O HETATM 1859 O HOH 6 17.346 3.283 20.712 1.00 22.10 O HETATM 1860 O HOH 7 18.222 3.657 18.136 1.00 25.23 O HETATM 1861 O HOH 8 19.464 13.898 20.102 1.00 58.22 O HETATM 1862 O HOH 9 22.799 16.705 21.059 1.00 43.81 O HETATM 1863 O HOH 10 23.875 14.478 23.123 1.00 43.76 O HETATM 1864 O HOH 11 26.426 14.385 22.330 1.00 36.65 O HETATM 1865 O HOH 12 29.498 14.947 17.839 1.00 58.22 O HETATM 1866 O HOH 13 33.144 13.070 20.172 1.00 59.82 O HETATM 1867 O HOH 14 34.047 8.447 21.537 1.00 28.83 O HETATM 1868 O HOH 15 32.276 7.264 24.783 1.00 20.31 O HETATM 1869 O HOH 16 38.475 7.241 22.739 1.00 66.69 O HETATM 1870 O HOH 17 39.676 7.647 20.632 1.00 30.14 O HETATM 1871 O HOH 18 38.005 10.755 20.432 1.00 68.98 O HETATM 1872 O HOH 19 40.684 7.640 15.132 1.00 43.86 O HETATM 1873 O HOH 20 43.308 3.783 13.251 1.00 80.60 O HETATM 1874 O HOH 21 39.962 1.389 16.400 1.00 30.00 O HETATM 1875 O HOH 22 37.725 0.706 14.589 1.00 17.65 O HETATM 1876 O HOH 23 42.080 -0.867 15.788 1.00 49.62 O HETATM 1877 O HOH 24 41.952 -3.065 13.603 1.00 25.20 O HETATM 1878 O HOH 25 38.770 -6.462 12.861 1.00 26.03 O HETATM 1879 O HOH 26 37.163 -8.246 13.961 1.00 28.50 O HETATM 1880 O HOH 27 34.379 -7.919 10.328 1.00 22.48 O HETATM 1881 O HOH 28 34.433 -11.242 16.491 1.00 31.48 O HETATM 1882 O HOH 29 33.734 -14.882 19.073 1.00 45.94 O HETATM 1883 O HOH 30 36.592 -12.923 21.644 1.00 47.04 O HETATM 1884 O HOH 31 36.432 -9.917 20.593 1.00 30.91 O HETATM 1885 O HOH 32 34.148 -8.587 21.643 1.00 22.96 O HETATM 1886 O HOH 33 33.690 -5.956 23.518 1.00 23.69 O HETATM 1887 O HOH 34 27.284 -8.747 21.994 1.00 18.08 O HETATM 1888 O HOH 35 25.369 -10.560 22.211 1.00 29.14 O HETATM 1889 O HOH 36 24.513 -12.785 20.679 1.00 27.05 O HETATM 1890 O HOH 37 22.410 -13.904 20.156 1.00 41.64 O HETATM 1891 O HOH 38 20.485 -12.510 22.667 1.00 25.55 O HETATM 1892 O HOH 39 23.355 -13.436 24.434 1.00 44.38 O HETATM 1893 O HOH 40 26.758 -14.085 24.766 1.00 39.32 O HETATM 1894 O HOH 41 30.586 -17.236 25.349 1.00 25.93 O HETATM 1895 O HOH 42 34.180 -20.562 27.778 1.00 38.46 O HETATM 1896 O HOH 43 35.898 -23.524 25.922 1.00 62.80 O HETATM 1897 O HOH 44 38.717 -18.457 24.168 1.00 42.01 O HETATM 1898 O HOH 45 40.894 -20.694 23.810 1.00 72.83 O HETATM 1899 O HOH 46 39.247 -16.198 22.024 1.00 34.49 O HETATM 1900 O HOH 47 39.353 -11.720 26.502 1.00 64.53 O HETATM 1901 O HOH 48 41.193 -8.145 26.458 1.00 46.90 O HETATM 1902 O HOH 49 40.946 -5.581 28.872 1.00 49.52 O HETATM 1903 O HOH 50 42.555 -7.119 32.472 1.00 30.15 O HETATM 1904 O HOH 51 42.938 -5.349 39.400 1.00 43.03 O HETATM 1905 O HOH 52 39.067 -0.325 39.602 1.00 28.89 O HETATM 1906 O HOH 53 40.693 2.365 42.823 1.00 27.99 O HETATM 1907 O HOH 54 37.978 0.584 44.798 1.00 41.08 O HETATM 1908 O HOH 55 38.118 -3.745 45.608 1.00 71.46 O HETATM 1909 O HOH 56 34.682 -10.671 39.662 1.00 48.74 O HETATM 1910 O HOH 57 36.391 -12.749 33.074 1.00 36.46 O HETATM 1911 O HOH 58 31.590 -13.422 32.828 1.00 45.83 O HETATM 1912 O HOH 59 31.319 -13.564 29.663 1.00 32.43 O HETATM 1913 O HOH 60 29.020 -11.750 28.884 1.00 28.56 O HETATM 1914 O HOH 61 26.098 -8.030 30.122 1.00 52.95 O HETATM 1915 O HOH 62 25.060 -2.158 37.752 1.00 32.38 O HETATM 1916 O HOH 63 30.688 0.643 42.978 1.00 37.62 O HETATM 1917 O HOH 64 31.101 3.537 46.089 1.00 52.29 O HETATM 1918 O HOH 65 35.111 5.688 39.536 1.00 23.49 O HETATM 1919 O HOH 66 37.946 7.549 41.525 1.00 29.71 O HETATM 1920 O HOH 67 34.560 9.791 39.123 1.00 37.01 O HETATM 1921 O HOH 68 34.919 9.678 32.222 1.00 27.99 O HETATM 1922 O HOH 69 33.575 14.010 29.805 1.00 55.06 O HETATM 1923 O HOH 70 38.802 9.488 28.633 1.00 34.78 O HETATM 1924 O HOH 71 42.826 7.238 29.524 1.00 38.34 O HETATM 1925 O HOH 72 46.702 4.823 29.240 1.00 42.92 O HETATM 1926 O HOH 73 47.556 1.786 29.594 1.00 38.10 O HETATM 1927 O HOH 74 40.855 1.179 26.468 1.00 17.73 O HETATM 1928 O HOH 75 42.017 3.418 24.436 1.00 47.40 O HETATM 1929 O HOH 76 43.469 0.673 20.418 1.00 64.22 O HETATM 1930 O HOH 77 42.032 -2.727 21.968 1.00 34.67 O HETATM 1931 O HOH 78 40.249 -2.228 19.567 1.00 37.89 O HETATM 1932 O HOH 79 33.186 5.368 14.406 1.00 13.29 O HETATM 1933 O HOH 80 32.409 7.462 11.060 1.00 13.22 O HETATM 1934 O HOH 81 30.544 6.676 7.780 1.00 22.44 O HETATM 1935 O HOH 82 29.039 4.427 5.658 1.00 55.51 O HETATM 1936 O HOH 83 30.986 1.940 6.534 1.00 32.66 O HETATM 1937 O HOH 84 30.645 2.175 2.951 1.00 39.87 O HETATM 1938 O HOH 85 28.810 0.399 3.611 1.00 38.38 O HETATM 1939 O HOH 86 25.855 0.470 3.836 1.00 25.97 O HETATM 1940 O HOH 87 22.450 5.661 6.667 1.00 35.17 O HETATM 1941 O HOH 88 23.155 3.436 6.918 1.00 23.19 O HETATM 1942 O HOH 89 24.916 5.201 6.183 1.00 46.10 O HETATM 1943 O HOH 90 25.682 -3.442 6.540 1.00 38.04 O HETATM 1944 O HOH 91 25.652 -12.169 9.195 1.00 18.52 O HETATM 1945 O HOH 92 22.052 -11.547 12.153 1.00 27.36 O HETATM 1946 O HOH 93 20.591 -9.902 17.206 1.00 47.16 O HETATM 1947 O HOH 94 16.733 0.084 26.491 1.00 18.43 O HETATM 1948 O HOH 95 18.495 7.324 27.252 1.00 31.99 O HETATM 1949 O HOH 96 41.783 -7.067 21.413 1.00 34.43 O HETATM 1950 O HOH 97 22.474 13.762 12.057 1.00 45.11 O HETATM 1951 O HOH 98 22.400 9.250 15.065 1.00 22.53 O HETATM 1952 O HOH 99 29.094 9.941 13.417 1.00 18.10 O HETATM 1953 O HOH 100 20.709 14.983 25.117 1.00 57.61 O HETATM 1954 O HOH 101 22.536 11.220 31.800 1.00 37.29 O HETATM 1955 O HOH 102 22.019 5.703 38.346 1.00 39.61 O HETATM 1956 O HOH 103 26.136 10.258 40.464 1.00 20.29 O HETATM 1957 O HOH 104 40.015 11.730 33.110 1.00 33.92 O HETATM 1958 O HOH 105 43.466 12.384 34.392 1.00 49.19 O HETATM 1959 O HOH 106 44.930 14.793 36.793 1.00 54.08 O HETATM 1960 O HOH 107 44.837 11.820 38.509 1.00 42.18 O HETATM 1961 O HOH 108 42.607 13.249 39.253 1.00 49.84 O HETATM 1962 O HOH 109 43.000 11.657 41.680 1.00 58.01 O HETATM 1963 O HOH 110 42.712 7.955 41.882 1.00 43.54 O HETATM 1964 O HOH 111 47.073 3.693 44.907 1.00 40.54 O HETATM 1965 O HOH 112 48.034 -0.342 43.147 1.00 37.07 O HETATM 1966 O HOH 113 49.880 0.115 42.904 1.00 49.03 O HETATM 1967 O HOH 114 51.735 5.949 37.309 1.00 35.62 O HETATM 1968 O HOH 115 49.887 7.125 36.030 1.00 18.30 O HETATM 1969 O HOH 116 44.433 -14.310 33.743 1.00 62.33 O HETATM 1970 O HOH 117 29.868 -12.720 16.641 1.00 45.09 O HETATM 1971 O HOH 118 27.271 -14.320 16.039 1.00 27.98 O HETATM 1972 O HOH 119 26.302 -14.438 19.434 1.00 43.21 O HETATM 1973 O HOH 120 29.290 -19.694 14.523 1.00 21.25 O HETATM 1974 O HOH 121 22.858 -18.302 8.624 1.00 33.88 O HETATM 1975 O HOH 122 40.166 0.992 5.040 1.00 22.85 O HETATM 1976 O HOH 123 42.999 1.245 7.429 1.00 36.11 O HETATM 1977 PA UNN A 124 38.292 -4.569 21.304 1.00 0.30 P HETATM 1978 O1A UNN A 124 39.518 -5.432 21.605 1.00 -0.61 O HETATM 1979 O2A UNN A 124 38.631 -3.184 20.830 1.00 -0.61 O HETATM 1980 O5'A UNN A 124 37.317 -5.244 20.229 1.00 -0.25 O HETATM 1981 C5'A UNN A 124 36.923 -6.614 20.356 1.00 0.11 C HETATM 1982 C4'A UNN A 124 37.074 -7.342 19.034 1.00 0.12 C HETATM 1983 O4'A UNN A 124 36.136 -6.802 18.074 1.00 -0.34 O HETATM 1984 C1'A UNN A 124 36.609 -7.094 16.774 1.00 0.20 C HETATM 1985 N9A UNN A 124 36.208 -6.037 15.832 1.00 -0.19 N HETATM 1986 C4A UNN A 124 36.704 -4.759 15.650 1.00 0.16 C HETATM 1987 N3A UNN A 124 37.688 -4.134 16.347 1.00 -0.27 N HETATM 1988 C2A UNN A 124 37.897 -2.886 15.874 1.00 0.05 C HETATM 1989 N1A UNN A 124 37.273 -2.250 14.857 1.00 -0.27 N HETATM 1990 C6A UNN A 124 36.303 -2.917 14.170 1.00 0.13 C HETATM 1991 N6A UNN A 124 35.703 -2.314 13.143 1.00 -0.32 N HETATM 1992 H2 UNN A 124 34.968 -2.806 12.615 1.00 0.18 H HETATM 1993 H3 UNN A 124 35.974 -1.356 12.878 1.00 0.18 H HETATM 1994 C5A UNN A 124 35.984 -4.233 14.578 1.00 0.10 C HETATM 1995 N7A UNN A 124 35.054 -5.148 14.108 1.00 -0.30 N HETATM 1996 C8A UNN A 124 35.217 -6.188 14.888 1.00 0.11 C HETATM 1997 H4 UNN A 124 34.620 -7.094 14.797 1.00 0.13 H HETATM 1998 H1 UNN A 124 38.670 -2.317 16.378 1.00 0.10 H HETATM 1999 C2'A UNN A 124 38.086 -7.509 16.865 1.00 0.14 C HETATM 2000 O2'A UNN A 124 38.247 -8.882 16.528 1.00 -0.38 O HETATM 2001 H10 UNN A 124 37.942 -9.027 15.640 1.00 0.21 H HETATM 2002 C3'A UNN A 124 38.421 -7.204 18.329 1.00 0.11 C HETATM 2003 O3'A UNN A 124 39.473 -8.063 18.826 1.00 -0.39 O HETATM 2004 H12 UNN A 124 39.196 -8.970 18.764 1.00 0.21 H HETATM 2005 H11 UNN A 124 38.771 -6.165 18.423 1.00 0.06 H HETATM 2006 H9 UNN A 124 38.709 -6.902 16.192 1.00 0.07 H HETATM 2007 H8 UNN A 124 36.077 -7.994 16.432 1.00 0.10 H HETATM 2008 H7 UNN A 124 36.871 -8.408 19.212 1.00 0.07 H HETATM 2009 H5 UNN A 124 35.871 -6.659 20.674 1.00 0.06 H HETATM 2010 H6 UNN A 124 37.556 -7.103 21.111 1.00 0.06 H HETATM 2011 O3A UNN A 124 37.446 -4.387 22.644 1.00 -0.13 O HETATM 2012 PB UNN A 124 36.671 -3.178 23.340 1.00 0.30 P HETATM 2013 O1B UNN A 124 35.704 -2.635 22.329 1.00 -0.61 O HETATM 2014 O2B UNN A 124 36.152 -3.713 24.628 1.00 -0.61 O HETATM 2015 O3'U UNN A 124 37.855 -2.131 23.749 1.00 -0.24 O HETATM 2016 C3'U UNN A 124 38.107 -0.951 22.957 1.00 0.13 C HETATM 2017 C4'U UNN A 124 39.194 -0.086 23.609 1.00 0.12 C HETATM 2018 C5'U UNN A 124 40.174 0.540 22.643 1.00 0.07 C HETATM 2019 O5'U UNN A 124 39.547 1.613 21.919 1.00 -0.39 O HETATM 2020 H13 UNN A 124 39.249 2.275 22.532 1.00 0.21 H HETATM 2021 H14 UNN A 124 41.034 0.935 23.204 1.00 0.06 H HETATM 2022 H15 UNN A 124 40.520 -0.224 21.931 1.00 0.06 H HETATM 2023 O4'U UNN A 124 38.501 0.977 24.321 1.00 -0.34 O HETATM 2024 C1'U UNN A 124 37.097 0.816 24.178 1.00 0.18 C HETATM 2025 C2'U UNN A 124 36.905 -0.022 22.925 1.00 0.04 C HETATM 2026 H18 UNN A 124 36.913 0.607 22.022 1.00 0.03 H HETATM 2027 H19 UNN A 124 35.964 -0.590 22.968 1.00 0.03 H HETATM 2028 N1U UNN A 124 36.463 2.146 24.096 1.00 -0.16 N HETATM 2029 C6U UNN A 124 36.977 3.157 23.286 1.00 0.06 C HETATM 2030 C5U UNN A 124 36.368 4.345 23.135 1.00 0.01 C HETATM 2031 C4U UNN A 124 35.133 4.611 23.843 1.00 0.18 C HETATM 2032 N3U UNN A 124 34.706 3.583 24.672 1.00 -0.19 N HETATM 2033 C2U UNN A 124 35.293 2.349 24.840 1.00 0.33 C HETATM 2034 O2U UNN A 124 34.810 1.503 25.572 1.00 -0.38 O HETATM 2035 H22 UNN A 124 33.880 3.758 25.207 1.00 0.23 H HETATM 2036 O4U UNN A 124 34.372 5.560 23.634 1.00 -0.41 O HETATM 2037 H23 UNN A 124 36.800 5.103 22.484 1.00 0.03 H HETATM 2038 H21 UNN A 124 37.910 2.977 22.754 1.00 0.12 H HETATM 2039 H17 UNN A 124 36.684 0.279 25.045 1.00 0.10 H HETATM 2040 H16 UNN A 124 39.759 -0.707 24.319 1.00 0.07 H HETATM 2041 H20 UNN A 124 38.397 -1.251 21.939 1.00 0.07 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 367 366 1248 CONECT 604 603 1411 CONECT 872 871 1645 CONECT 972 971 1070 CONECT 1070 972 1069 CONECT 1248 367 1247 CONECT 1411 604 1410 CONECT 1645 872 1644 CONECT 1977 1978 1979 1980 2011 CONECT 1978 1977 CONECT 1979 1977 CONECT 1980 1977 1981 CONECT 1981 1980 1982 2009 2010 CONECT 1982 1981 1983 2002 2008 CONECT 1983 1982 1984 CONECT 1984 1983 1985 1999 2007 CONECT 1985 1984 1986 1996 CONECT 1986 1985 1987 1994 CONECT 1987 1986 1988 CONECT 1988 1987 1989 1998 CONECT 1989 1988 1990 CONECT 1990 1989 1991 1994 CONECT 1991 1990 1992 1993 CONECT 1992 1991 CONECT 1993 1991 CONECT 1994 1986 1990 1995 CONECT 1995 1994 1996 CONECT 1996 1985 1995 1997 CONECT 1997 1996 CONECT 1998 1988 CONECT 1999 1984 2000 2002 2006 CONECT 2000 1999 2001 CONECT 2001 2000 CONECT 2002 1982 1999 2003 2005 CONECT 2003 2002 2004 CONECT 2004 2003 CONECT 2005 2002 CONECT 2006 1999 CONECT 2007 1984 CONECT 2008 1982 CONECT 2009 1981 CONECT 2010 1981 CONECT 2011 1977 2012 CONECT 2012 2011 2013 2014 2015 CONECT 2013 2012 CONECT 2014 2012 CONECT 2015 2012 2016 CONECT 2016 2015 2017 2025 2041 CONECT 2017 2016 2018 2023 2040 CONECT 2018 2017 2019 2021 2022 CONECT 2019 2018 2020 CONECT 2020 2019 CONECT 2021 2018 CONECT 2022 2018 CONECT 2023 2017 2024 CONECT 2024 2023 2025 2028 2039 CONECT 2025 2016 2024 2026 2027 CONECT 2026 2025 CONECT 2027 2025 CONECT 2028 2024 2029 2033 CONECT 2029 2028 2030 2038 CONECT 2030 2029 2031 2037 CONECT 2031 2030 2032 2036 CONECT 2032 2031 2033 2035 CONECT 2033 2028 2032 2034 CONECT 2034 2033 CONECT 2035 2032 CONECT 2036 2031 CONECT 2037 2030 CONECT 2038 2029 CONECT 2039 2024 CONECT 2040 2017 CONECT 2041 2016 MASTER 0 0 0 0 0 0 0 0 2040 1 77 10 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1jn4
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ribonuclease a
Ligand Name
139
EC.Number
E.C.3.1.27.5
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=11.3uM
Release Year
2003
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v40 pp. 10262-72, 2001
Ligand Properties
Formula
C
1
9
H
2
7
N
7
O
1
4
P
2
Molecular Weight
639.404
Exact Mass
639.109
No. of atoms
69
No. of bonds
73
Polar Surface Area
339.42
LOGP Value
-5.70 (
Computed with XLOGP3
)
-2.82 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 21
No. of Rings: 5
Canonical SMILES
OC[C@H]1O[C@H](C[C@@H]1OP(OP(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)(O)O)(O)O)n1ccc(=O)[nH]c1=O
InChI String
InChI=1S/C19H29N7O14P2/c20-16-13-17(22-6-21-16)26(7-23-13)18-15(30)14(29)10(38-18)5-36-41(32,33)40-42(34,35)39-8-3-12(37-9(8)4-27)25-2-1-11(28)24-19(25)31/h1-2,6-10,12,14-15,18,27,29-30,32-35,41-42H,3-5H2,(H2,20,21,22)(H,24,28,31)/t8-,9+,10+,12+,14+,15+,18+/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):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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