Browse entries in the PDBbind-CN Database
HEADER 3VZG_COMPLEX COMPND 3VZG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 138 ARG SER SER SER TYR SER GLY GLU TYR GLY SER GLY GLY SEQRES 2 A 138 GLY LYS ARG PHE SER HIS SER GLY ASN GLN LEU ASP GLY SEQRES 3 A 138 PRO ILE THR ALA LEU ARG VAL ARG VAL ASN THR TYR TYR SEQRES 4 A 138 ILE VAL GLY LEU GLN VAL ARG TYR GLY LYS VAL TRP SER SEQRES 5 A 138 ASP TYR VAL GLY GLY ARG ASN GLY ASP LEU GLU GLU ILE SEQRES 6 A 138 PHE LEU HIS PRO GLY GLU SER VAL ILE GLN VAL SER GLY SEQRES 7 A 138 LYS TYR LYS TRP TYR LEU LYS LYS LEU VAL PHE VAL THR SEQRES 8 A 138 ASP LYS GLY ARG TYR LEU SER PHE GLY LYS ASP SER GLY SEQRES 9 A 138 THR SER PHE ASN ALA VAL PRO LEU HIS PRO ASN THR VAL SEQRES 10 A 138 LEU ARG PHE ILE SER GLY ARG SER GLY SER LEU ILE ASP SEQRES 11 A 138 ALA ILE GLY LEU HIS TRP ASP VAL HET THR A 190 38 ATOM 1 N ARG A 22 0.440 33.133 14.693 1.00 38.10 N ATOM 2 CA ARG A 22 1.393 32.025 14.398 1.00 38.08 C ATOM 3 C ARG A 22 1.373 31.684 12.908 1.00 37.86 C ATOM 4 O ARG A 22 0.352 31.239 12.374 1.00 37.90 O ATOM 5 CB ARG A 22 1.052 30.787 15.238 1.00 38.21 C ATOM 6 CG ARG A 22 2.119 29.689 15.229 1.00 38.76 C ATOM 7 CD ARG A 22 3.182 29.896 16.311 1.00 39.75 C ATOM 8 NE ARG A 22 2.639 29.771 17.667 1.00 40.38 N ATOM 9 CZ ARG A 22 2.432 28.616 18.300 1.00 40.64 C ATOM 10 NH1 ARG A 22 1.935 28.618 19.530 1.00 40.78 N ATOM 11 NH2 ARG A 22 2.712 27.460 17.710 1.00 40.80 N ATOM 12 HE ARG A 22 2.398 30.647 18.172 1.00 0.00 H ATOM 13 HH12 ARG A 22 1.772 27.719 20.027 1.00 0.00 H ATOM 14 HH11 ARG A 22 1.708 29.519 19.998 1.00 0.00 H ATOM 15 HH22 ARG A 22 2.546 26.565 18.214 1.00 0.00 H ATOM 16 HH21 ARG A 22 3.097 27.449 16.744 1.00 0.00 H ATOM 17 HN3 ARG A 22 -0.522 32.842 14.425 1.00 0.00 H ATOM 18 HN2 ARG A 22 0.712 33.977 14.149 1.00 0.00 H ATOM 19 HN1 ARG A 22 0.467 33.351 15.710 1.00 0.00 H ATOM 20 N SER A 23 2.508 31.901 12.248 1.00 37.55 N ATOM 21 CA SER A 23 2.644 31.634 10.817 1.00 37.22 C ATOM 22 C SER A 23 3.323 30.296 10.541 1.00 36.93 C ATOM 23 O SER A 23 3.073 29.669 9.510 1.00 36.93 O ATOM 24 CB SER A 23 3.415 32.765 10.132 1.00 37.25 C ATOM 25 OG SER A 23 2.677 33.975 10.160 1.00 37.38 O ATOM 26 HG SER A 23 3.197 34.688 9.712 1.00 0.00 H ATOM 27 H SER A 23 3.327 32.274 12.769 1.00 0.00 H ATOM 28 N SER A 24 4.179 29.866 11.466 1.00 36.56 N ATOM 29 CA SER A 24 4.944 28.630 11.309 1.00 36.24 C ATOM 30 C SER A 24 4.098 27.380 11.544 1.00 36.01 C ATOM 31 O SER A 24 3.194 27.374 12.384 1.00 36.00 O ATOM 32 CB SER A 24 6.164 28.627 12.235 1.00 36.22 C ATOM 33 OG SER A 24 5.778 28.702 13.597 1.00 36.30 O ATOM 34 HG SER A 24 5.210 27.923 13.821 1.00 0.00 H ATOM 35 H SER A 24 4.308 30.429 12.331 1.00 0.00 H ATOM 36 N SER A 25 4.401 26.328 10.788 1.00 35.68 N ATOM 37 CA SER A 25 3.732 25.037 10.933 1.00 35.38 C ATOM 38 C SER A 25 4.677 23.884 10.598 1.00 35.18 C ATOM 39 O SER A 25 5.713 24.083 9.959 1.00 35.09 O ATOM 40 CB SER A 25 2.472 24.975 10.064 1.00 35.36 C ATOM 41 OG SER A 25 2.772 25.216 8.702 1.00 35.25 O ATOM 42 HG SER A 25 3.175 26.115 8.608 1.00 0.00 H ATOM 43 H SER A 25 5.143 26.428 10.066 1.00 0.00 H ATOM 44 N TYR A 26 4.313 22.682 11.037 1.00 34.99 N ATOM 45 CA TYR A 26 5.145 21.498 10.841 1.00 34.80 C ATOM 46 C TYR A 26 4.341 20.310 10.318 1.00 34.71 C ATOM 47 O TYR A 26 3.273 19.987 10.843 1.00 34.68 O ATOM 48 CB TYR A 26 5.865 21.130 12.146 1.00 34.74 C ATOM 49 CG TYR A 26 6.608 19.810 12.112 1.00 34.68 C ATOM 50 CD1 TYR A 26 6.105 18.689 12.770 1.00 34.67 C ATOM 51 CD2 TYR A 26 7.813 19.682 11.422 1.00 34.61 C ATOM 52 CE1 TYR A 26 6.782 17.474 12.744 1.00 34.57 C ATOM 53 CE2 TYR A 26 8.499 18.473 11.391 1.00 34.61 C ATOM 54 CZ TYR A 26 7.978 17.374 12.054 1.00 34.62 C ATOM 55 OH TYR A 26 8.651 16.174 12.025 1.00 34.57 O ATOM 56 HH TYR A 26 9.550 16.292 12.422 1.00 0.00 H ATOM 57 H TYR A 26 3.406 22.582 11.536 1.00 0.00 H ATOM 58 N SER A 27 4.871 19.670 9.280 1.00 34.63 N ATOM 59 CA SER A 27 4.280 18.462 8.717 1.00 34.55 C ATOM 60 C SER A 27 5.190 17.267 8.974 1.00 34.51 C ATOM 61 O SER A 27 6.362 17.274 8.588 1.00 34.51 O ATOM 62 CB SER A 27 4.038 18.631 7.217 1.00 34.54 C ATOM 63 OG SER A 27 3.095 19.657 6.962 1.00 34.57 O ATOM 64 HG SER A 27 2.235 19.429 7.397 1.00 0.00 H ATOM 65 H SER A 27 5.742 20.046 8.853 1.00 0.00 H ATOM 66 N GLY A 28 4.645 16.249 9.634 1.00 34.48 N ATOM 67 CA GLY A 28 5.401 15.045 9.972 1.00 34.43 C ATOM 68 C GLY A 28 5.058 14.481 11.342 1.00 34.41 C ATOM 69 O GLY A 28 4.061 14.876 11.946 1.00 34.43 O ATOM 70 H GLY A 28 3.647 16.312 9.919 1.00 0.00 H ATOM 71 N GLU A 29 5.877 13.558 11.843 1.00 34.40 N ATOM 72 CA GLU A 29 7.071 13.085 11.147 1.00 34.41 C ATOM 73 C GLU A 29 6.745 11.872 10.277 1.00 34.43 C ATOM 74 O GLU A 29 6.098 10.927 10.733 1.00 34.46 O ATOM 75 CB GLU A 29 8.168 12.739 12.156 1.00 34.35 C ATOM 76 CG GLU A 29 9.565 12.666 11.560 1.00 34.46 C ATOM 77 CD GLU A 29 10.624 12.310 12.588 1.00 34.53 C ATOM 78 OE1 GLU A 29 11.579 13.100 12.751 1.00 34.80 O ATOM 79 OE2 GLU A 29 10.504 11.246 13.234 1.00 34.56 O ATOM 80 H GLU A 29 5.656 13.154 12.775 1.00 0.00 H ATOM 81 N TYR A 30 7.194 11.912 9.024 1.00 34.42 N ATOM 82 CA TYR A 30 6.911 10.847 8.065 1.00 34.42 C ATOM 83 C TYR A 30 8.059 9.843 7.980 1.00 34.49 C ATOM 84 O TYR A 30 9.116 10.139 7.418 1.00 34.50 O ATOM 85 CB TYR A 30 6.602 11.427 6.679 1.00 34.37 C ATOM 86 CG TYR A 30 5.538 12.505 6.674 1.00 34.31 C ATOM 87 CD1 TYR A 30 4.202 12.197 6.933 1.00 34.17 C ATOM 88 CD2 TYR A 30 5.867 13.832 6.400 1.00 34.15 C ATOM 89 CE1 TYR A 30 3.222 13.184 6.927 1.00 34.20 C ATOM 90 CE2 TYR A 30 4.894 14.826 6.388 1.00 34.14 C ATOM 91 CZ TYR A 30 3.575 14.495 6.653 1.00 34.24 C ATOM 92 OH TYR A 30 2.607 15.473 6.644 1.00 34.36 O ATOM 93 HH TYR A 30 1.728 15.068 6.851 1.00 0.00 H ATOM 94 H TYR A 30 7.764 12.727 8.719 1.00 0.00 H ATOM 95 N GLY A 31 7.837 8.657 8.540 1.00 34.56 N ATOM 96 CA GLY A 31 8.840 7.594 8.561 1.00 34.61 C ATOM 97 C GLY A 31 8.820 6.809 9.858 1.00 34.67 C ATOM 98 O GLY A 31 7.815 6.804 10.575 1.00 34.67 O ATOM 99 H GLY A 31 6.912 8.479 8.981 1.00 0.00 H ATOM 100 N SER A 32 9.932 6.142 10.158 1.00 34.73 N ATOM 101 CA SER A 32 10.068 5.376 11.397 1.00 34.80 C ATOM 102 C SER A 32 11.097 6.002 12.338 1.00 34.80 C ATOM 103 O SER A 32 11.746 6.993 11.992 1.00 34.83 O ATOM 104 CB SER A 32 10.425 3.918 11.095 1.00 34.84 C ATOM 105 OG SER A 32 10.306 3.113 12.257 1.00 35.07 O ATOM 106 HG SER A 32 10.542 2.178 12.035 1.00 0.00 H ATOM 107 H SER A 32 10.729 6.166 9.491 1.00 0.00 H ATOM 108 N GLY A 33 11.236 5.419 13.527 1.00 34.83 N ATOM 109 CA GLY A 33 12.107 5.960 14.568 1.00 34.80 C ATOM 110 C GLY A 33 13.509 5.381 14.597 1.00 34.77 C ATOM 111 O GLY A 33 14.081 5.181 15.671 1.00 34.82 O ATOM 112 H GLY A 33 10.705 4.546 13.722 1.00 0.00 H ATOM 113 N GLY A 34 14.061 5.113 13.417 1.00 34.74 N ATOM 114 CA GLY A 34 15.431 4.625 13.295 1.00 34.68 C ATOM 115 C GLY A 34 16.414 5.760 13.084 1.00 34.65 C ATOM 116 O GLY A 34 16.014 6.909 12.890 1.00 34.65 O ATOM 117 H GLY A 34 13.499 5.256 12.554 1.00 0.00 H ATOM 118 N GLY A 35 17.703 5.434 13.126 1.00 34.63 N ATOM 119 CA GLY A 35 18.762 6.413 12.898 1.00 34.66 C ATOM 120 C GLY A 35 18.857 7.475 13.976 1.00 34.69 C ATOM 121 O GLY A 35 18.492 7.238 15.130 1.00 34.73 O ATOM 122 H GLY A 35 17.965 4.448 13.328 1.00 0.00 H ATOM 123 N LYS A 36 19.347 8.651 13.591 1.00 34.67 N ATOM 124 CA LYS A 36 19.536 9.763 14.519 1.00 34.65 C ATOM 125 C LYS A 36 18.884 11.054 14.029 1.00 34.54 C ATOM 126 O LYS A 36 18.771 11.293 12.825 1.00 34.55 O ATOM 127 CB LYS A 36 21.029 9.988 14.798 1.00 34.71 C ATOM 128 CG LYS A 36 21.667 8.954 15.729 1.00 35.04 C ATOM 129 CD LYS A 36 21.274 9.181 17.190 1.00 35.54 C ATOM 130 CE LYS A 36 21.821 8.088 18.103 1.00 35.81 C ATOM 131 NZ LYS A 36 21.095 6.792 17.951 1.00 35.96 N ATOM 132 HZ1 LYS A 36 20.091 6.929 18.184 1.00 0.00 H ATOM 133 HZ2 LYS A 36 21.182 6.460 16.969 1.00 0.00 H ATOM 134 HZ3 LYS A 36 21.508 6.087 18.594 1.00 0.00 H ATOM 135 H LYS A 36 19.605 8.783 12.592 1.00 0.00 H ATOM 136 N ARG A 37 18.465 11.876 14.989 1.00 34.42 N ATOM 137 CA ARG A 37 17.787 13.148 14.746 1.00 34.26 C ATOM 138 C ARG A 37 18.670 14.130 13.975 1.00 34.01 C ATOM 139 O ARG A 37 19.872 14.228 14.230 1.00 34.02 O ATOM 140 CB ARG A 37 17.371 13.749 16.097 1.00 34.36 C ATOM 141 CG ARG A 37 16.458 14.973 16.057 1.00 34.94 C ATOM 142 CD ARG A 37 17.249 16.285 16.012 1.00 36.00 C ATOM 143 NE ARG A 37 16.519 17.410 16.601 1.00 36.75 N ATOM 144 CZ ARG A 37 15.494 18.040 16.029 1.00 37.30 C ATOM 145 NH1 ARG A 37 15.039 17.662 14.838 1.00 37.34 N ATOM 146 NH2 ARG A 37 14.911 19.052 16.660 1.00 37.58 N ATOM 147 HE ARG A 37 16.824 17.743 17.538 1.00 0.00 H ATOM 148 HH12 ARG A 37 14.238 18.164 14.404 1.00 0.00 H ATOM 149 HH11 ARG A 37 15.484 16.865 14.340 1.00 0.00 H ATOM 150 HH22 ARG A 37 14.110 19.548 16.219 1.00 0.00 H ATOM 151 HH21 ARG A 37 15.255 19.349 17.596 1.00 0.00 H ATOM 152 H ARG A 37 18.631 11.595 15.976 1.00 0.00 H ATOM 153 N PHE A 38 18.065 14.842 13.024 1.00 33.71 N ATOM 154 CA PHE A 38 18.713 15.975 12.362 1.00 33.42 C ATOM 155 C PHE A 38 17.716 17.105 12.098 1.00 33.24 C ATOM 156 O PHE A 38 16.533 16.857 11.853 1.00 33.14 O ATOM 157 CB PHE A 38 19.433 15.544 11.071 1.00 33.42 C ATOM 158 CG PHE A 38 18.533 15.429 9.867 1.00 33.43 C ATOM 159 CD1 PHE A 38 18.379 16.502 8.991 1.00 33.31 C ATOM 160 CD2 PHE A 38 17.854 14.244 9.599 1.00 33.40 C ATOM 161 CE1 PHE A 38 17.551 16.402 7.877 1.00 33.43 C ATOM 162 CE2 PHE A 38 17.025 14.133 8.483 1.00 33.36 C ATOM 163 CZ PHE A 38 16.873 15.213 7.622 1.00 33.42 C ATOM 164 H PHE A 38 17.098 14.583 12.742 1.00 0.00 H ATOM 165 N SER A 39 18.202 18.342 12.159 1.00 33.09 N ATOM 166 CA SER A 39 17.373 19.520 11.910 1.00 32.96 C ATOM 167 C SER A 39 18.151 20.602 11.175 1.00 32.88 C ATOM 168 O SER A 39 19.339 20.811 11.431 1.00 32.97 O ATOM 169 CB SER A 39 16.819 20.081 13.220 1.00 33.00 C ATOM 170 OG SER A 39 15.912 21.145 12.978 1.00 33.05 O ATOM 171 HG SER A 39 15.570 21.488 13.841 1.00 0.00 H ATOM 172 H SER A 39 19.207 18.476 12.392 1.00 0.00 H ATOM 173 N HIS A 40 17.465 21.286 10.264 1.00 32.70 N ATOM 174 CA HIS A 40 18.044 22.394 9.510 1.00 32.53 C ATOM 175 C HIS A 40 17.501 23.726 10.031 1.00 32.40 C ATOM 176 O HIS A 40 17.386 24.699 9.282 1.00 32.37 O ATOM 177 CB HIS A 40 17.733 22.232 8.018 1.00 32.54 C ATOM 178 CG HIS A 40 18.450 21.090 7.363 1.00 32.55 C ATOM 179 ND1 HIS A 40 18.716 21.060 6.011 1.00 32.48 N ATOM 180 CD2 HIS A 40 18.966 19.945 7.872 1.00 32.55 C ATOM 181 CE1 HIS A 40 19.356 19.943 5.714 1.00 32.49 C ATOM 182 NE2 HIS A 40 19.522 19.250 6.825 1.00 32.72 N ATOM 183 H HIS A 40 16.476 21.021 10.081 1.00 0.00 H ATOM 184 N SER A 41 17.183 23.754 11.325 1.00 32.27 N ATOM 185 CA SER A 41 16.531 24.897 11.969 1.00 32.16 C ATOM 186 C SER A 41 17.360 26.181 11.942 1.00 32.03 C ATOM 187 O SER A 41 16.809 27.276 11.833 1.00 32.07 O ATOM 188 CB SER A 41 16.146 24.546 13.409 1.00 32.20 C ATOM 189 OG SER A 41 15.267 25.515 13.953 1.00 32.42 O ATOM 190 HG SER A 41 15.711 26.400 13.950 1.00 0.00 H ATOM 191 H SER A 41 17.409 22.922 11.907 1.00 0.00 H ATOM 192 N GLY A 42 18.679 26.041 12.048 1.00 31.83 N ATOM 193 CA GLY A 42 19.583 27.186 11.991 1.00 31.60 C ATOM 194 C GLY A 42 19.963 27.573 10.573 1.00 31.45 C ATOM 195 O GLY A 42 20.408 28.696 10.329 1.00 31.51 O ATOM 196 H GLY A 42 19.077 25.089 12.175 1.00 0.00 H ATOM 197 N ASN A 43 19.779 26.640 9.640 1.00 31.23 N ATOM 198 CA ASN A 43 20.163 26.832 8.240 1.00 31.05 C ATOM 199 C ASN A 43 19.332 27.875 7.487 1.00 30.90 C ATOM 200 O ASN A 43 19.791 28.434 6.490 1.00 30.86 O ATOM 201 CB ASN A 43 20.127 25.498 7.489 1.00 31.06 C ATOM 202 CG ASN A 43 21.134 24.500 8.023 1.00 31.10 C ATOM 203 OD1 ASN A 43 21.021 24.028 9.156 1.00 31.17 O ATOM 204 ND2 ASN A 43 22.123 24.166 7.204 1.00 31.12 N ATOM 205 HD22 ASN A 43 22.179 24.590 6.256 1.00 0.00 H ATOM 206 HD21 ASN A 43 22.843 23.480 7.510 1.00 0.00 H ATOM 207 H ASN A 43 19.344 25.737 9.918 1.00 0.00 H ATOM 208 N GLN A 44 18.118 28.130 7.973 1.00 30.74 N ATOM 209 CA GLN A 44 17.202 29.096 7.354 1.00 30.58 C ATOM 210 C GLN A 44 17.706 30.543 7.428 1.00 30.45 C ATOM 211 O GLN A 44 17.220 31.413 6.703 1.00 30.45 O ATOM 212 CB GLN A 44 15.797 28.976 7.962 1.00 30.57 C ATOM 213 CG GLN A 44 15.728 29.221 9.468 1.00 30.60 C ATOM 214 CD GLN A 44 14.364 28.912 10.064 1.00 30.66 C ATOM 215 OE1 GLN A 44 13.331 29.072 9.412 1.00 30.79 O ATOM 216 NE2 GLN A 44 14.355 28.476 11.319 1.00 30.74 N ATOM 217 HE22 GLN A 44 15.250 28.355 11.834 1.00 0.00 H ATOM 218 HE21 GLN A 44 13.452 28.256 11.787 1.00 0.00 H ATOM 219 H GLN A 44 17.806 27.624 8.826 1.00 0.00 H ATOM 220 N LEU A 45 18.682 30.787 8.301 1.00 30.30 N ATOM 221 CA LEU A 45 19.313 32.100 8.435 1.00 30.15 C ATOM 222 C LEU A 45 20.210 32.436 7.240 1.00 30.00 C ATOM 223 O LEU A 45 20.394 33.608 6.908 1.00 30.05 O ATOM 224 CB LEU A 45 20.119 32.181 9.739 1.00 30.20 C ATOM 225 CG LEU A 45 19.401 31.936 11.074 1.00 30.32 C ATOM 226 CD1 LEU A 45 20.411 31.731 12.197 1.00 30.44 C ATOM 227 CD2 LEU A 45 18.431 33.064 11.420 1.00 30.37 C ATOM 228 H LEU A 45 19.009 30.012 8.913 1.00 0.00 H ATOM 229 N ASP A 46 20.760 31.402 6.603 1.00 29.77 N ATOM 230 CA ASP A 46 21.624 31.563 5.429 1.00 29.61 C ATOM 231 C ASP A 46 20.867 32.061 4.194 1.00 29.33 C ATOM 232 O ASP A 46 21.458 32.667 3.296 1.00 29.30 O ATOM 233 CB ASP A 46 22.344 30.248 5.107 1.00 29.69 C ATOM 234 CG ASP A 46 23.403 29.888 6.139 1.00 30.16 C ATOM 235 OD1 ASP A 46 24.184 30.778 6.546 1.00 30.56 O ATOM 236 OD2 ASP A 46 23.465 28.703 6.532 1.00 30.67 O ATOM 237 H ASP A 46 20.568 30.442 6.953 1.00 0.00 H ATOM 238 N GLY A 47 19.563 31.795 4.154 1.00 28.98 N ATOM 239 CA GLY A 47 18.715 32.216 3.044 1.00 28.55 C ATOM 240 C GLY A 47 17.563 31.262 2.782 1.00 28.24 C ATOM 241 O GLY A 47 17.337 30.330 3.559 1.00 28.24 O ATOM 242 H GLY A 47 19.134 31.269 4.942 1.00 0.00 H ATOM 243 N PRO A 48 16.815 31.495 1.688 1.00 27.96 N ATOM 244 CA PRO A 48 15.750 30.578 1.288 1.00 27.70 C ATOM 245 C PRO A 48 16.314 29.352 0.574 1.00 27.41 C ATOM 246 O PRO A 48 17.476 29.362 0.157 1.00 27.43 O ATOM 247 CB PRO A 48 14.917 31.421 0.321 1.00 27.70 C ATOM 248 CG PRO A 48 15.901 32.351 -0.294 1.00 27.87 C ATOM 249 CD PRO A 48 16.928 32.644 0.768 1.00 27.95 C ATOM 250 N ILE A 49 15.498 28.308 0.439 1.00 27.05 N ATOM 251 CA ILE A 49 15.894 27.102 -0.289 1.00 26.67 C ATOM 252 C ILE A 49 16.092 27.431 -1.771 1.00 26.47 C ATOM 253 O ILE A 49 15.175 27.919 -2.436 1.00 26.49 O ATOM 254 CB ILE A 49 14.871 25.951 -0.102 1.00 26.69 C ATOM 255 CG1 ILE A 49 14.818 25.526 1.372 1.00 26.58 C ATOM 256 CG2 ILE A 49 15.219 24.760 -1.002 1.00 26.51 C ATOM 257 CD1 ILE A 49 13.583 24.734 1.762 1.00 26.44 C ATOM 258 H ILE A 49 14.550 28.351 0.864 1.00 0.00 H ATOM 259 N THR A 50 17.301 27.173 -2.269 1.00 26.14 N ATOM 260 CA THR A 50 17.669 27.508 -3.646 1.00 25.84 C ATOM 261 C THR A 50 17.973 26.278 -4.502 1.00 25.63 C ATOM 262 O THR A 50 17.922 26.350 -5.733 1.00 25.66 O ATOM 263 CB THR A 50 18.881 28.467 -3.701 1.00 25.86 C ATOM 264 OG1 THR A 50 19.985 27.888 -2.995 1.00 25.97 O ATOM 265 CG2 THR A 50 18.534 29.819 -3.086 1.00 25.75 C ATOM 266 HG1 THR A 50 20.759 28.504 -3.032 1.00 0.00 H ATOM 267 H THR A 50 18.008 26.717 -1.658 1.00 0.00 H ATOM 268 N ALA A 51 18.297 25.161 -3.851 1.00 25.27 N ATOM 269 CA ALA A 51 18.601 23.906 -4.545 1.00 24.94 C ATOM 270 C ALA A 51 18.360 22.684 -3.659 1.00 24.73 C ATOM 271 O ALA A 51 18.272 22.799 -2.433 1.00 24.77 O ATOM 272 CB ALA A 51 20.036 23.914 -5.067 1.00 24.93 C ATOM 273 H ALA A 51 18.336 25.180 -2.812 1.00 0.00 H ATOM 274 N LEU A 52 18.258 21.516 -4.291 1.00 24.38 N ATOM 275 CA LEU A 52 18.017 20.262 -3.581 1.00 24.10 C ATOM 276 C LEU A 52 18.923 19.134 -4.071 1.00 23.88 C ATOM 277 O LEU A 52 19.112 18.954 -5.275 1.00 23.87 O ATOM 278 CB LEU A 52 16.546 19.844 -3.707 1.00 24.11 C ATOM 279 CG LEU A 52 15.468 20.734 -3.077 1.00 24.13 C ATOM 280 CD1 LEU A 52 14.105 20.408 -3.664 1.00 24.15 C ATOM 281 CD2 LEU A 52 15.449 20.616 -1.553 1.00 24.03 C ATOM 282 H LEU A 52 18.353 21.496 -5.326 1.00 0.00 H ATOM 283 N ARG A 53 19.481 18.386 -3.122 1.00 23.65 N ATOM 284 CA ARG A 53 20.276 17.195 -3.419 1.00 23.40 C ATOM 285 C ARG A 53 19.669 15.975 -2.742 1.00 23.35 C ATOM 286 O ARG A 53 19.464 15.964 -1.525 1.00 23.34 O ATOM 287 CB ARG A 53 21.723 17.369 -2.958 1.00 23.32 C ATOM 288 CG ARG A 53 22.658 17.961 -3.988 1.00 22.85 C ATOM 289 CD ARG A 53 24.035 18.151 -3.379 1.00 22.32 C ATOM 290 NE ARG A 53 24.931 18.917 -4.239 1.00 21.76 N ATOM 291 CZ ARG A 53 26.072 19.467 -3.835 1.00 21.40 C ATOM 292 NH1 ARG A 53 26.469 19.348 -2.574 1.00 21.27 N ATOM 293 NH2 ARG A 53 26.819 20.144 -4.695 1.00 21.33 N ATOM 294 HE ARG A 53 24.659 19.041 -5.235 1.00 0.00 H ATOM 295 HH12 ARG A 53 27.363 19.782 -2.267 1.00 0.00 H ATOM 296 HH11 ARG A 53 25.886 18.821 -1.893 1.00 0.00 H ATOM 297 HH22 ARG A 53 27.712 20.575 -4.381 1.00 0.00 H ATOM 298 HH21 ARG A 53 26.512 20.244 -5.684 1.00 0.00 H ATOM 299 H ARG A 53 19.346 18.660 -2.128 1.00 0.00 H ATOM 300 N VAL A 54 19.380 14.952 -3.539 1.00 23.31 N ATOM 301 CA VAL A 54 18.790 13.716 -3.034 1.00 23.28 C ATOM 302 C VAL A 54 19.565 12.521 -3.579 1.00 23.22 C ATOM 303 O VAL A 54 19.684 12.357 -4.794 1.00 23.28 O ATOM 304 CB VAL A 54 17.285 13.590 -3.423 1.00 23.31 C ATOM 305 CG1 VAL A 54 16.668 12.339 -2.813 1.00 23.26 C ATOM 306 CG2 VAL A 54 16.495 14.827 -2.996 1.00 23.23 C ATOM 307 H VAL A 54 19.581 15.035 -4.556 1.00 0.00 H ATOM 308 N ARG A 55 20.106 11.703 -2.679 1.00 23.16 N ATOM 309 CA ARG A 55 20.745 10.451 -3.078 1.00 23.15 C ATOM 310 C ARG A 55 19.742 9.305 -2.981 1.00 23.25 C ATOM 311 O ARG A 55 19.100 9.118 -1.947 1.00 23.22 O ATOM 312 CB ARG A 55 21.989 10.159 -2.235 1.00 23.10 C ATOM 313 CG ARG A 55 22.922 9.139 -2.878 1.00 23.02 C ATOM 314 CD ARG A 55 24.115 8.776 -2.001 1.00 23.06 C ATOM 315 NE ARG A 55 25.038 9.894 -1.803 1.00 23.12 N ATOM 316 CZ ARG A 55 25.990 10.259 -2.661 1.00 23.06 C ATOM 317 NH1 ARG A 55 26.163 9.605 -3.804 1.00 23.15 N ATOM 318 NH2 ARG A 55 26.770 11.290 -2.376 1.00 23.08 N ATOM 319 HE ARG A 55 24.944 10.445 -0.926 1.00 0.00 H ATOM 320 HH12 ARG A 55 26.910 9.901 -4.464 1.00 0.00 H ATOM 321 HH11 ARG A 55 25.551 8.797 -4.039 1.00 0.00 H ATOM 322 HH22 ARG A 55 27.514 11.579 -3.042 1.00 0.00 H ATOM 323 HH21 ARG A 55 26.638 11.811 -1.486 1.00 0.00 H ATOM 324 H ARG A 55 20.073 11.960 -1.672 1.00 0.00 H ATOM 325 N VAL A 56 19.610 8.548 -4.067 1.00 23.40 N ATOM 326 CA VAL A 56 18.616 7.475 -4.151 1.00 23.55 C ATOM 327 C VAL A 56 19.176 6.213 -4.819 1.00 23.63 C ATOM 328 O VAL A 56 19.788 6.286 -5.888 1.00 23.65 O ATOM 329 CB VAL A 56 17.308 7.962 -4.854 1.00 23.49 C ATOM 330 CG1 VAL A 56 17.621 8.825 -6.066 1.00 23.54 C ATOM 331 CG2 VAL A 56 16.406 6.790 -5.235 1.00 23.61 C ATOM 332 H VAL A 56 20.232 8.723 -4.882 1.00 0.00 H ATOM 333 N ASN A 57 18.974 5.067 -4.167 1.00 23.70 N ATOM 334 CA ASN A 57 19.363 3.773 -4.729 1.00 23.79 C ATOM 335 C ASN A 57 18.183 3.047 -5.388 1.00 23.85 C ATOM 336 O ASN A 57 17.338 3.682 -6.022 1.00 23.94 O ATOM 337 CB ASN A 57 20.078 2.894 -3.683 1.00 23.81 C ATOM 338 CG ASN A 57 19.229 2.616 -2.444 1.00 23.92 C ATOM 339 OD1 ASN A 57 18.017 2.410 -2.528 1.00 24.16 O ATOM 340 ND2 ASN A 57 19.877 2.585 -1.287 1.00 23.97 N ATOM 341 HD22 ASN A 57 20.901 2.765 -1.260 1.00 0.00 H ATOM 342 HD21 ASN A 57 19.361 2.381 -0.407 1.00 0.00 H ATOM 343 H ASN A 57 18.526 5.094 -3.229 1.00 0.00 H ATOM 344 N THR A 58 18.132 1.726 -5.233 1.00 23.86 N ATOM 345 CA THR A 58 17.100 0.897 -5.854 1.00 23.86 C ATOM 346 C THR A 58 15.718 1.104 -5.227 1.00 23.81 C ATOM 347 O THR A 58 14.720 1.182 -5.943 1.00 23.84 O ATOM 348 CB THR A 58 17.475 -0.605 -5.795 1.00 23.91 C ATOM 349 OG1 THR A 58 18.863 -0.769 -6.111 1.00 24.15 O ATOM 350 CG2 THR A 58 16.634 -1.419 -6.775 1.00 23.91 C ATOM 351 HG1 THR A 58 19.098 -1.730 -6.072 1.00 0.00 H ATOM 352 H THR A 58 18.856 1.265 -4.646 1.00 0.00 H ATOM 353 N TYR A 59 15.664 1.198 -3.899 1.00 23.75 N ATOM 354 CA TYR A 59 14.388 1.239 -3.184 1.00 23.63 C ATOM 355 C TYR A 59 14.177 2.471 -2.305 1.00 23.56 C ATOM 356 O TYR A 59 13.066 3.001 -2.239 1.00 23.69 O ATOM 357 CB TYR A 59 14.201 -0.034 -2.349 1.00 23.72 C ATOM 358 CG TYR A 59 14.222 -1.318 -3.154 1.00 23.85 C ATOM 359 CD1 TYR A 59 13.205 -1.611 -4.065 1.00 23.93 C ATOM 360 CD2 TYR A 59 15.252 -2.244 -2.998 1.00 23.99 C ATOM 361 CE1 TYR A 59 13.219 -2.786 -4.805 1.00 23.94 C ATOM 362 CE2 TYR A 59 15.273 -3.427 -3.732 1.00 24.03 C ATOM 363 CZ TYR A 59 14.254 -3.691 -4.633 1.00 24.02 C ATOM 364 OH TYR A 59 14.269 -4.858 -5.364 1.00 23.87 O ATOM 365 HH TYR A 59 15.091 -4.891 -5.914 1.00 0.00 H ATOM 366 H TYR A 59 16.551 1.243 -3.357 1.00 0.00 H ATOM 367 N TYR A 60 15.234 2.927 -1.635 1.00 23.38 N ATOM 368 CA TYR A 60 15.105 3.997 -0.641 1.00 23.22 C ATOM 369 C TYR A 60 15.732 5.323 -1.063 1.00 23.02 C ATOM 370 O TYR A 60 16.438 5.403 -2.072 1.00 23.04 O ATOM 371 CB TYR A 60 15.712 3.561 0.698 1.00 23.32 C ATOM 372 CG TYR A 60 15.354 2.157 1.126 1.00 23.40 C ATOM 373 CD1 TYR A 60 14.073 1.850 1.583 1.00 23.34 C ATOM 374 CD2 TYR A 60 16.302 1.136 1.083 1.00 23.37 C ATOM 375 CE1 TYR A 60 13.743 0.560 1.978 1.00 23.55 C ATOM 376 CE2 TYR A 60 15.984 -0.157 1.479 1.00 23.54 C ATOM 377 CZ TYR A 60 14.703 -0.438 1.925 1.00 23.57 C ATOM 378 OH TYR A 60 14.384 -1.717 2.317 1.00 23.68 O ATOM 379 HH TYR A 60 13.437 -1.746 2.605 1.00 0.00 H ATOM 380 H TYR A 60 16.171 2.515 -1.821 1.00 0.00 H ATOM 381 N ILE A 61 15.450 6.363 -0.281 1.00 22.76 N ATOM 382 CA ILE A 61 16.179 7.622 -0.364 1.00 22.53 C ATOM 383 C ILE A 61 17.334 7.551 0.633 1.00 22.34 C ATOM 384 O ILE A 61 17.125 7.447 1.845 1.00 22.30 O ATOM 385 CB ILE A 61 15.263 8.849 -0.116 1.00 22.50 C ATOM 386 CG1 ILE A 61 14.338 9.057 -1.321 1.00 22.54 C ATOM 387 CG2 ILE A 61 16.094 10.108 0.142 1.00 22.43 C ATOM 388 CD1 ILE A 61 13.282 10.124 -1.134 1.00 22.59 C ATOM 389 H ILE A 61 14.682 6.274 0.414 1.00 0.00 H ATOM 390 N VAL A 62 18.551 7.587 0.098 1.00 22.14 N ATOM 391 CA VAL A 62 19.770 7.369 0.873 1.00 21.95 C ATOM 392 C VAL A 62 20.162 8.618 1.661 1.00 21.86 C ATOM 393 O VAL A 62 20.345 8.558 2.876 1.00 21.86 O ATOM 394 CB VAL A 62 20.948 6.935 -0.041 1.00 21.92 C ATOM 395 CG1 VAL A 62 22.076 6.328 0.780 1.00 21.86 C ATOM 396 CG2 VAL A 62 20.474 5.948 -1.095 1.00 21.93 C ATOM 397 H VAL A 62 18.639 7.779 -0.920 1.00 0.00 H ATOM 398 N GLY A 63 20.286 9.745 0.966 1.00 21.77 N ATOM 399 CA GLY A 63 20.748 10.975 1.595 1.00 21.75 C ATOM 400 C GLY A 63 20.048 12.235 1.133 1.00 21.70 C ATOM 401 O GLY A 63 19.457 12.274 0.050 1.00 21.71 O ATOM 402 H GLY A 63 20.048 9.748 -0.047 1.00 0.00 H ATOM 403 N LEU A 64 20.126 13.268 1.968 1.00 21.61 N ATOM 404 CA LEU A 64 19.536 14.568 1.673 1.00 21.54 C ATOM 405 C LEU A 64 20.520 15.701 1.935 1.00 21.48 C ATOM 406 O LEU A 64 21.338 15.633 2.856 1.00 21.42 O ATOM 407 CB LEU A 64 18.270 14.788 2.506 1.00 21.55 C ATOM 408 CG LEU A 64 16.989 14.058 2.098 1.00 21.66 C ATOM 409 CD1 LEU A 64 15.983 14.094 3.234 1.00 21.58 C ATOM 410 CD2 LEU A 64 16.389 14.653 0.827 1.00 21.84 C ATOM 411 H LEU A 64 20.629 13.143 2.869 1.00 0.00 H ATOM 412 N GLN A 65 20.427 16.741 1.111 1.00 21.46 N ATOM 413 CA GLN A 65 21.217 17.955 1.277 1.00 21.45 C ATOM 414 C GLN A 65 20.455 19.117 0.648 1.00 21.45 C ATOM 415 O GLN A 65 20.073 19.055 -0.523 1.00 21.47 O ATOM 416 CB GLN A 65 22.594 17.790 0.631 1.00 21.44 C ATOM 417 CG GLN A 65 23.650 18.760 1.137 1.00 21.45 C ATOM 418 CD GLN A 65 25.054 18.416 0.661 1.00 21.46 C ATOM 419 OE1 GLN A 65 25.239 17.626 -0.268 1.00 21.60 O ATOM 420 NE2 GLN A 65 26.053 19.012 1.299 1.00 21.38 N ATOM 421 HE22 GLN A 65 25.853 19.672 2.078 1.00 0.00 H ATOM 422 HE21 GLN A 65 27.036 18.819 1.021 1.00 0.00 H ATOM 423 H GLN A 65 19.762 16.686 0.314 1.00 0.00 H ATOM 424 N VAL A 66 20.217 20.162 1.435 1.00 21.48 N ATOM 425 CA VAL A 66 19.434 21.312 0.976 1.00 21.57 C ATOM 426 C VAL A 66 20.277 22.591 0.981 1.00 21.69 C ATOM 427 O VAL A 66 20.972 22.885 1.957 1.00 21.73 O ATOM 428 CB VAL A 66 18.140 21.502 1.819 1.00 21.52 C ATOM 429 CG1 VAL A 66 17.305 22.656 1.288 1.00 21.51 C ATOM 430 CG2 VAL A 66 17.307 20.222 1.834 1.00 21.45 C ATOM 431 H VAL A 66 20.597 20.163 2.403 1.00 0.00 H ATOM 432 N ARG A 67 20.214 23.338 -0.119 1.00 21.83 N ATOM 433 CA ARG A 67 20.963 24.585 -0.263 1.00 21.98 C ATOM 434 C ARG A 67 20.126 25.770 0.213 1.00 22.13 C ATOM 435 O ARG A 67 19.089 26.086 -0.372 1.00 22.14 O ATOM 436 CB ARG A 67 21.390 24.781 -1.721 1.00 21.91 C ATOM 437 CG ARG A 67 22.471 25.828 -1.955 1.00 21.70 C ATOM 438 CD ARG A 67 22.883 25.827 -3.421 1.00 21.44 C ATOM 439 NE ARG A 67 23.886 26.840 -3.744 1.00 21.25 N ATOM 440 CZ ARG A 67 23.629 27.995 -4.356 1.00 20.97 C ATOM 441 NH1 ARG A 67 22.392 28.311 -4.722 1.00 20.54 N ATOM 442 NH2 ARG A 67 24.618 28.839 -4.606 1.00 20.90 N ATOM 443 HE ARG A 67 24.872 26.645 -3.477 1.00 0.00 H ATOM 444 HH12 ARG A 67 22.206 29.216 -5.199 1.00 0.00 H ATOM 445 HH11 ARG A 67 21.609 27.653 -4.532 1.00 0.00 H ATOM 446 HH22 ARG A 67 24.423 29.742 -5.084 1.00 0.00 H ATOM 447 HH21 ARG A 67 25.590 28.599 -4.325 1.00 0.00 H ATOM 448 H ARG A 67 19.610 23.023 -0.905 1.00 0.00 H ATOM 449 N TYR A 68 20.586 26.414 1.283 1.00 22.35 N ATOM 450 CA TYR A 68 19.923 27.593 1.831 1.00 22.56 C ATOM 451 C TYR A 68 20.715 28.837 1.451 1.00 22.83 C ATOM 452 O TYR A 68 21.837 29.044 1.924 1.00 22.86 O ATOM 453 CB TYR A 68 19.776 27.477 3.351 1.00 22.42 C ATOM 454 CG TYR A 68 18.984 26.266 3.793 1.00 22.33 C ATOM 455 CD1 TYR A 68 17.611 26.350 4.016 1.00 22.12 C ATOM 456 CD2 TYR A 68 19.608 25.033 3.984 1.00 22.20 C ATOM 457 CE1 TYR A 68 16.879 25.239 4.418 1.00 22.14 C ATOM 458 CE2 TYR A 68 18.886 23.919 4.386 1.00 22.26 C ATOM 459 CZ TYR A 68 17.521 24.028 4.601 1.00 22.28 C ATOM 460 OH TYR A 68 16.800 22.924 4.998 1.00 22.21 O ATOM 461 HH TYR A 68 17.155 22.592 5.861 1.00 0.00 H ATOM 462 H TYR A 68 21.449 26.064 1.745 1.00 0.00 H ATOM 463 N GLY A 69 20.122 29.657 0.586 1.00 23.12 N ATOM 464 CA GLY A 69 20.823 30.783 -0.016 1.00 23.52 C ATOM 465 C GLY A 69 21.940 30.260 -0.898 1.00 23.84 C ATOM 466 O GLY A 69 21.697 29.491 -1.830 1.00 23.86 O ATOM 467 H GLY A 69 19.128 29.488 0.332 1.00 0.00 H ATOM 468 N LYS A 70 23.169 30.659 -0.584 1.00 24.14 N ATOM 469 CA LYS A 70 24.344 30.212 -1.330 1.00 24.44 C ATOM 470 C LYS A 70 25.082 29.069 -0.622 1.00 24.55 C ATOM 471 O LYS A 70 26.068 28.542 -1.144 1.00 24.65 O ATOM 472 CB LYS A 70 25.290 31.394 -1.581 1.00 24.50 C ATOM 473 CG LYS A 70 24.825 32.353 -2.677 1.00 24.87 C ATOM 474 CD LYS A 70 25.408 31.974 -4.038 1.00 25.42 C ATOM 475 CE LYS A 70 24.545 32.475 -5.192 1.00 25.78 C ATOM 476 NZ LYS A 70 23.263 31.715 -5.326 1.00 25.70 N ATOM 477 HZ1 LYS A 70 23.473 30.711 -5.497 1.00 0.00 H ATOM 478 HZ2 LYS A 70 22.711 31.811 -4.450 1.00 0.00 H ATOM 479 HZ3 LYS A 70 22.717 32.097 -6.124 1.00 0.00 H ATOM 480 H LYS A 70 23.298 31.309 0.217 1.00 0.00 H ATOM 481 N VAL A 71 24.587 28.682 0.553 1.00 24.67 N ATOM 482 CA VAL A 71 25.262 27.700 1.405 1.00 24.78 C ATOM 483 C VAL A 71 24.540 26.349 1.419 1.00 24.86 C ATOM 484 O VAL A 71 23.343 26.278 1.711 1.00 24.86 O ATOM 485 CB VAL A 71 25.405 28.214 2.867 1.00 24.82 C ATOM 486 CG1 VAL A 71 26.338 27.313 3.671 1.00 24.78 C ATOM 487 CG2 VAL A 71 25.908 29.658 2.896 1.00 24.78 C ATOM 488 H VAL A 71 23.688 29.092 0.877 1.00 0.00 H ATOM 489 N TRP A 72 25.278 25.286 1.103 1.00 24.93 N ATOM 490 CA TRP A 72 24.767 23.920 1.218 1.00 25.01 C ATOM 491 C TRP A 72 24.817 23.449 2.667 1.00 25.21 C ATOM 492 O TRP A 72 25.782 23.727 3.387 1.00 25.26 O ATOM 493 CB TRP A 72 25.579 22.954 0.354 1.00 24.84 C ATOM 494 CG TRP A 72 25.226 22.953 -1.101 1.00 24.64 C ATOM 495 CD1 TRP A 72 25.938 23.521 -2.118 1.00 24.53 C ATOM 496 CD2 TRP A 72 24.083 22.337 -1.708 1.00 24.54 C ATOM 497 NE1 TRP A 72 25.307 23.304 -3.320 1.00 24.41 N ATOM 498 CE2 TRP A 72 24.166 22.580 -3.097 1.00 24.38 C ATOM 499 CE3 TRP A 72 22.994 21.605 -1.212 1.00 24.52 C ATOM 500 CZ2 TRP A 72 23.200 22.121 -3.998 1.00 24.50 C ATOM 501 CZ3 TRP A 72 22.034 21.149 -2.109 1.00 24.59 C ATOM 502 CH2 TRP A 72 22.145 21.411 -3.487 1.00 24.60 C ATOM 503 HE1 TRP A 72 25.641 23.636 -4.247 1.00 0.00 H ATOM 504 H TRP A 72 26.250 25.432 0.763 1.00 0.00 H ATOM 505 N SER A 73 23.781 22.727 3.085 1.00 25.46 N ATOM 506 CA SER A 73 23.729 22.146 4.426 1.00 25.74 C ATOM 507 C SER A 73 24.675 20.952 4.535 1.00 25.92 C ATOM 508 O SER A 73 25.164 20.447 3.524 1.00 25.95 O ATOM 509 CB SER A 73 22.301 21.718 4.769 1.00 25.67 C ATOM 510 OG SER A 73 21.832 20.733 3.866 1.00 25.78 O ATOM 511 HG SER A 73 21.841 21.099 2.946 1.00 0.00 H ATOM 512 H SER A 73 22.982 22.571 2.437 1.00 0.00 H ATOM 513 N ASP A 74 24.938 20.512 5.764 1.00 26.19 N ATOM 514 CA ASP A 74 25.748 19.318 5.983 1.00 26.44 C ATOM 515 C ASP A 74 24.968 18.091 5.525 1.00 26.46 C ATOM 516 O ASP A 74 23.772 17.965 5.803 1.00 26.50 O ATOM 517 CB ASP A 74 26.158 19.186 7.453 1.00 26.54 C ATOM 518 CG ASP A 74 27.309 18.204 7.658 1.00 27.07 C ATOM 519 OD1 ASP A 74 28.011 17.873 6.675 1.00 27.48 O ATOM 520 OD2 ASP A 74 27.518 17.765 8.811 1.00 27.65 O ATOM 521 H ASP A 74 24.559 21.029 6.583 1.00 0.00 H ATOM 522 N TYR A 75 25.649 17.204 4.805 1.00 26.52 N ATOM 523 CA TYR A 75 25.021 16.019 4.229 1.00 26.54 C ATOM 524 C TYR A 75 24.571 15.040 5.308 1.00 26.56 C ATOM 525 O TYR A 75 25.339 14.695 6.208 1.00 26.63 O ATOM 526 CB TYR A 75 25.976 15.336 3.244 1.00 26.51 C ATOM 527 CG TYR A 75 25.403 14.118 2.552 1.00 26.51 C ATOM 528 CD1 TYR A 75 24.729 14.236 1.337 1.00 26.50 C ATOM 529 CD2 TYR A 75 25.545 12.845 3.107 1.00 26.41 C ATOM 530 CE1 TYR A 75 24.204 13.118 0.696 1.00 26.55 C ATOM 531 CE2 TYR A 75 25.024 11.724 2.476 1.00 26.38 C ATOM 532 CZ TYR A 75 24.356 11.866 1.272 1.00 26.52 C ATOM 533 OH TYR A 75 23.842 10.756 0.645 1.00 26.50 O ATOM 534 HH TYR A 75 24.576 10.123 0.443 1.00 0.00 H ATOM 535 H TYR A 75 26.665 17.360 4.647 1.00 0.00 H ATOM 536 N VAL A 76 23.319 14.607 5.208 1.00 26.65 N ATOM 537 CA VAL A 76 22.761 13.608 6.118 1.00 26.75 C ATOM 538 C VAL A 76 22.317 12.362 5.353 1.00 26.81 C ATOM 539 O VAL A 76 21.647 12.462 4.323 1.00 26.86 O ATOM 540 CB VAL A 76 21.592 14.173 6.980 1.00 26.75 C ATOM 541 CG1 VAL A 76 22.135 14.997 8.142 1.00 26.64 C ATOM 542 CG2 VAL A 76 20.615 14.996 6.133 1.00 26.63 C ATOM 543 H VAL A 76 22.714 14.993 4.455 1.00 0.00 H ATOM 544 N GLY A 77 22.706 11.194 5.859 1.00 26.85 N ATOM 545 CA GLY A 77 22.390 9.923 5.213 1.00 26.99 C ATOM 546 C GLY A 77 23.629 9.135 4.836 1.00 27.13 C ATOM 547 O GLY A 77 24.738 9.469 5.258 1.00 27.13 O ATOM 548 H GLY A 77 23.253 11.186 6.744 1.00 0.00 H ATOM 549 N GLY A 78 23.438 8.090 4.035 1.00 27.30 N ATOM 550 CA GLY A 78 24.530 7.204 3.635 1.00 27.55 C ATOM 551 C GLY A 78 25.127 7.512 2.275 1.00 27.77 C ATOM 552 O GLY A 78 24.796 8.523 1.653 1.00 27.75 O ATOM 553 H GLY A 78 22.479 7.897 3.681 1.00 0.00 H ATOM 554 N ARG A 79 26.006 6.625 1.814 1.00 28.00 N ATOM 555 CA ARG A 79 26.734 6.826 0.561 1.00 28.27 C ATOM 556 C ARG A 79 26.299 5.874 -0.553 1.00 28.30 C ATOM 557 O ARG A 79 26.659 6.068 -1.716 1.00 28.31 O ATOM 558 CB ARG A 79 28.245 6.709 0.796 1.00 28.37 C ATOM 559 CG ARG A 79 28.839 7.857 1.600 1.00 28.88 C ATOM 560 CD ARG A 79 30.360 7.834 1.582 1.00 29.85 C ATOM 561 NE ARG A 79 30.927 6.876 2.533 1.00 30.47 N ATOM 562 CZ ARG A 79 31.640 5.801 2.199 1.00 30.86 C ATOM 563 NH1 ARG A 79 31.897 5.525 0.925 1.00 31.01 N ATOM 564 NH2 ARG A 79 32.108 5.000 3.148 1.00 30.93 N ATOM 565 HE ARG A 79 30.761 7.047 3.545 1.00 0.00 H ATOM 566 HH12 ARG A 79 32.455 4.683 0.678 1.00 0.00 H ATOM 567 HH11 ARG A 79 31.540 6.151 0.175 1.00 0.00 H ATOM 568 HH22 ARG A 79 32.665 4.160 2.892 1.00 0.00 H ATOM 569 HH21 ARG A 79 31.918 5.212 4.148 1.00 0.00 H ATOM 570 H ARG A 79 26.181 5.759 2.363 1.00 0.00 H ATOM 571 N ASN A 80 25.520 4.856 -0.194 1.00 28.37 N ATOM 572 CA ASN A 80 25.109 3.818 -1.137 1.00 28.45 C ATOM 573 C ASN A 80 23.960 4.254 -2.049 1.00 28.51 C ATOM 574 O ASN A 80 22.809 3.861 -1.847 1.00 28.57 O ATOM 575 CB ASN A 80 24.758 2.525 -0.386 1.00 28.40 C ATOM 576 CG ASN A 80 24.541 1.342 -1.318 1.00 28.54 C ATOM 577 OD1 ASN A 80 25.138 1.259 -2.393 1.00 28.86 O ATOM 578 ND2 ASN A 80 23.683 0.417 -0.904 1.00 28.60 N ATOM 579 HD22 ASN A 80 23.201 0.527 0.011 1.00 0.00 H ATOM 580 HD21 ASN A 80 23.493 -0.418 -1.495 1.00 0.00 H ATOM 581 H ASN A 80 25.193 4.797 0.791 1.00 0.00 H ATOM 582 N GLY A 81 24.281 5.061 -3.057 1.00 28.57 N ATOM 583 CA GLY A 81 23.283 5.526 -4.019 1.00 28.72 C ATOM 584 C GLY A 81 23.786 6.595 -4.972 1.00 28.81 C ATOM 585 O GLY A 81 24.886 7.123 -4.803 1.00 28.86 O ATOM 586 H GLY A 81 25.269 5.369 -3.163 1.00 0.00 H ATOM 587 N ASP A 82 22.970 6.910 -5.975 1.00 28.89 N ATOM 588 CA ASP A 82 23.293 7.952 -6.945 1.00 28.99 C ATOM 589 C ASP A 82 22.709 9.301 -6.537 1.00 28.95 C ATOM 590 O ASP A 82 21.543 9.392 -6.145 1.00 28.98 O ATOM 591 CB ASP A 82 22.804 7.566 -8.345 1.00 29.08 C ATOM 592 CG ASP A 82 23.826 6.752 -9.123 1.00 29.51 C ATOM 593 OD1 ASP A 82 25.030 7.092 -9.082 1.00 29.82 O ATOM 594 OD2 ASP A 82 23.421 5.779 -9.793 1.00 30.11 O ATOM 595 H ASP A 82 22.071 6.396 -6.071 1.00 0.00 H ATOM 596 N LEU A 83 23.532 10.341 -6.639 1.00 28.90 N ATOM 597 CA LEU A 83 23.124 11.698 -6.294 1.00 28.84 C ATOM 598 C LEU A 83 22.300 12.328 -7.411 1.00 28.90 C ATOM 599 O LEU A 83 22.677 12.270 -8.584 1.00 28.90 O ATOM 600 CB LEU A 83 24.353 12.566 -6.002 1.00 28.80 C ATOM 601 CG LEU A 83 24.120 13.974 -5.445 1.00 28.71 C ATOM 602 CD1 LEU A 83 24.058 13.962 -3.922 1.00 28.60 C ATOM 603 CD2 LEU A 83 25.209 14.913 -5.925 1.00 28.70 C ATOM 604 H LEU A 83 24.502 10.181 -6.977 1.00 0.00 H ATOM 605 N GLU A 84 21.172 12.922 -7.033 1.00 28.94 N ATOM 606 CA GLU A 84 20.358 13.710 -7.953 1.00 29.02 C ATOM 607 C GLU A 84 20.293 15.150 -7.459 1.00 28.94 C ATOM 608 O GLU A 84 19.970 15.402 -6.295 1.00 28.95 O ATOM 609 CB GLU A 84 18.954 13.117 -8.093 1.00 29.01 C ATOM 610 CG GLU A 84 18.897 11.838 -8.922 1.00 29.20 C ATOM 611 CD GLU A 84 17.506 11.221 -8.981 1.00 29.35 C ATOM 612 OE1 GLU A 84 16.504 11.967 -8.913 1.00 29.94 O ATOM 613 OE2 GLU A 84 17.416 9.981 -9.108 1.00 29.74 O ATOM 614 H GLU A 84 20.859 12.821 -6.046 1.00 0.00 H ATOM 615 N GLU A 85 20.612 16.087 -8.347 1.00 28.92 N ATOM 616 CA GLU A 85 20.699 17.501 -7.994 1.00 28.91 C ATOM 617 C GLU A 85 19.802 18.353 -8.888 1.00 28.86 C ATOM 618 O GLU A 85 19.862 18.254 -10.116 1.00 28.85 O ATOM 619 CB GLU A 85 22.152 17.977 -8.089 1.00 28.91 C ATOM 620 CG GLU A 85 22.410 19.368 -7.523 1.00 28.91 C ATOM 621 CD GLU A 85 23.854 19.809 -7.688 1.00 29.03 C ATOM 622 OE1 GLU A 85 24.360 19.801 -8.832 1.00 29.21 O ATOM 623 OE2 GLU A 85 24.483 20.171 -6.673 1.00 29.37 O ATOM 624 H GLU A 85 20.807 15.802 -9.328 1.00 0.00 H ATOM 625 N ILE A 86 18.969 19.180 -8.259 1.00 28.84 N ATOM 626 CA ILE A 86 18.095 20.110 -8.974 1.00 28.87 C ATOM 627 C ILE A 86 18.187 21.511 -8.364 1.00 28.86 C ATOM 628 O ILE A 86 17.966 21.691 -7.165 1.00 28.82 O ATOM 629 CB ILE A 86 16.615 19.620 -9.000 1.00 28.89 C ATOM 630 CG1 ILE A 86 16.487 18.334 -9.827 1.00 28.91 C ATOM 631 CG2 ILE A 86 15.686 20.710 -9.551 1.00 28.80 C ATOM 632 CD1 ILE A 86 15.114 17.676 -9.785 1.00 28.95 C ATOM 633 H ILE A 86 18.939 19.164 -7.220 1.00 0.00 H ATOM 634 N PHE A 87 18.530 22.490 -9.199 1.00 28.87 N ATOM 635 CA PHE A 87 18.559 23.893 -8.788 1.00 28.88 C ATOM 636 C PHE A 87 17.208 24.562 -9.030 1.00 28.85 C ATOM 637 O PHE A 87 16.559 24.324 -10.052 1.00 28.82 O ATOM 638 CB PHE A 87 19.667 24.654 -9.524 1.00 28.90 C ATOM 639 CG PHE A 87 21.035 24.469 -8.925 1.00 29.03 C ATOM 640 CD1 PHE A 87 21.533 25.385 -8.004 1.00 29.17 C ATOM 641 CD2 PHE A 87 21.828 23.382 -9.284 1.00 29.21 C ATOM 642 CE1 PHE A 87 22.800 25.218 -7.442 1.00 29.22 C ATOM 643 CE2 PHE A 87 23.098 23.208 -8.729 1.00 29.19 C ATOM 644 CZ PHE A 87 23.583 24.128 -7.807 1.00 29.06 C ATOM 645 H PHE A 87 18.786 22.248 -10.178 1.00 0.00 H ATOM 646 N LEU A 88 16.790 25.390 -8.076 1.00 28.82 N ATOM 647 CA LEU A 88 15.541 26.140 -8.188 1.00 28.84 C ATOM 648 C LEU A 88 15.786 27.514 -8.800 1.00 28.81 C ATOM 649 O LEU A 88 16.860 28.095 -8.630 1.00 28.85 O ATOM 650 CB LEU A 88 14.867 26.290 -6.818 1.00 28.82 C ATOM 651 CG LEU A 88 13.933 25.188 -6.303 1.00 28.87 C ATOM 652 CD1 LEU A 88 14.691 23.931 -5.889 1.00 29.16 C ATOM 653 CD2 LEU A 88 13.114 25.712 -5.134 1.00 28.88 C ATOM 654 H LEU A 88 17.372 25.507 -7.222 1.00 0.00 H ATOM 655 N HIS A 89 14.783 28.022 -9.512 1.00 28.83 N ATOM 656 CA HIS A 89 14.842 29.356 -10.110 1.00 28.86 C ATOM 657 C HIS A 89 14.805 30.430 -9.020 1.00 28.77 C ATOM 658 O HIS A 89 14.318 30.170 -7.917 1.00 28.81 O ATOM 659 CB HIS A 89 13.679 29.556 -11.086 1.00 28.94 C ATOM 660 CG HIS A 89 13.591 28.504 -12.147 1.00 29.31 C ATOM 661 ND1 HIS A 89 14.458 28.451 -13.217 1.00 29.73 N ATOM 662 CD2 HIS A 89 12.736 27.466 -12.304 1.00 29.55 C ATOM 663 CE1 HIS A 89 14.143 27.424 -13.986 1.00 29.79 C ATOM 664 NE2 HIS A 89 13.100 26.811 -13.456 1.00 29.78 N ATOM 665 H HIS A 89 13.925 27.450 -9.648 1.00 0.00 H ATOM 666 N PRO A 90 15.334 31.636 -9.313 1.00 28.69 N ATOM 667 CA PRO A 90 15.248 32.722 -8.333 1.00 28.60 C ATOM 668 C PRO A 90 13.799 33.043 -7.971 1.00 28.49 C ATOM 669 O PRO A 90 12.942 33.128 -8.854 1.00 28.48 O ATOM 670 CB PRO A 90 15.900 33.909 -9.058 1.00 28.60 C ATOM 671 CG PRO A 90 15.883 33.546 -10.505 1.00 28.64 C ATOM 672 CD PRO A 90 16.039 32.063 -10.535 1.00 28.70 C ATOM 673 N GLY A 91 13.534 33.190 -6.676 1.00 28.40 N ATOM 674 CA GLY A 91 12.196 33.516 -6.186 1.00 28.29 C ATOM 675 C GLY A 91 11.224 32.350 -6.184 1.00 28.22 C ATOM 676 O GLY A 91 10.057 32.513 -5.819 1.00 28.26 O ATOM 677 H GLY A 91 14.305 33.069 -5.989 1.00 0.00 H ATOM 678 N GLU A 92 11.703 31.176 -6.594 1.00 28.10 N ATOM 679 CA GLU A 92 10.893 29.960 -6.601 1.00 27.93 C ATOM 680 C GLU A 92 10.998 29.256 -5.252 1.00 27.88 C ATOM 681 O GLU A 92 12.100 28.989 -4.763 1.00 27.89 O ATOM 682 CB GLU A 92 11.334 29.025 -7.730 1.00 27.94 C ATOM 683 CG GLU A 92 10.476 27.775 -7.893 1.00 27.90 C ATOM 684 CD GLU A 92 11.038 26.789 -8.909 1.00 27.95 C ATOM 685 OE1 GLU A 92 12.274 26.616 -8.968 1.00 28.12 O ATOM 686 OE2 GLU A 92 10.239 26.177 -9.647 1.00 27.91 O ATOM 687 H GLU A 92 12.689 31.123 -6.921 1.00 0.00 H ATOM 688 N SER A 93 9.843 28.964 -4.658 1.00 27.73 N ATOM 689 CA SER A 93 9.783 28.302 -3.358 1.00 27.59 C ATOM 690 C SER A 93 8.847 27.093 -3.372 1.00 27.47 C ATOM 691 O SER A 93 7.874 27.061 -4.128 1.00 27.40 O ATOM 692 CB SER A 93 9.370 29.297 -2.268 1.00 27.62 C ATOM 693 OG SER A 93 8.195 29.999 -2.629 1.00 27.55 O ATOM 694 HG SER A 93 8.356 30.499 -3.468 1.00 0.00 H ATOM 695 H SER A 93 8.954 29.216 -5.136 1.00 0.00 H ATOM 696 N VAL A 94 9.158 26.105 -2.534 1.00 27.33 N ATOM 697 CA VAL A 94 8.372 24.873 -2.436 1.00 27.22 C ATOM 698 C VAL A 94 7.094 25.119 -1.631 1.00 27.20 C ATOM 699 O VAL A 94 7.139 25.673 -0.529 1.00 27.16 O ATOM 700 CB VAL A 94 9.198 23.707 -1.823 1.00 27.24 C ATOM 701 CG1 VAL A 94 8.352 22.450 -1.676 1.00 27.13 C ATOM 702 CG2 VAL A 94 10.430 23.413 -2.675 1.00 27.21 C ATOM 703 H VAL A 94 9.993 26.213 -1.924 1.00 0.00 H ATOM 704 N ILE A 95 5.962 24.705 -2.196 1.00 27.17 N ATOM 705 CA ILE A 95 4.644 24.965 -1.608 1.00 27.12 C ATOM 706 C ILE A 95 3.871 23.695 -1.219 1.00 27.14 C ATOM 707 O ILE A 95 2.896 23.765 -0.466 1.00 27.05 O ATOM 708 CB ILE A 95 3.776 25.877 -2.522 1.00 27.13 C ATOM 709 CG1 ILE A 95 3.629 25.271 -3.925 1.00 27.01 C ATOM 710 CG2 ILE A 95 4.371 27.287 -2.585 1.00 27.13 C ATOM 711 CD1 ILE A 95 2.544 25.912 -4.776 1.00 27.09 C ATOM 712 H ILE A 95 6.014 24.176 -3.090 1.00 0.00 H ATOM 713 N GLN A 96 4.306 22.549 -1.741 1.00 27.10 N ATOM 714 CA GLN A 96 3.743 21.244 -1.383 1.00 27.20 C ATOM 715 C GLN A 96 4.837 20.189 -1.384 1.00 27.21 C ATOM 716 O GLN A 96 5.731 20.214 -2.235 1.00 27.26 O ATOM 717 CB GLN A 96 2.661 20.811 -2.375 1.00 27.18 C ATOM 718 CG GLN A 96 1.345 21.559 -2.297 1.00 27.41 C ATOM 719 CD GLN A 96 0.411 21.201 -3.439 1.00 27.44 C ATOM 720 OE1 GLN A 96 0.155 20.024 -3.708 1.00 27.41 O ATOM 721 NE2 GLN A 96 -0.104 22.221 -4.120 1.00 27.82 N ATOM 722 HE22 GLN A 96 0.140 23.197 -3.858 1.00 0.00 H ATOM 723 HE21 GLN A 96 -0.751 22.042 -4.915 1.00 0.00 H ATOM 724 H GLN A 96 5.081 22.582 -2.434 1.00 0.00 H ATOM 725 N VAL A 97 4.764 19.260 -0.434 1.00 27.21 N ATOM 726 CA VAL A 97 5.681 18.122 -0.396 1.00 27.22 C ATOM 727 C VAL A 97 4.899 16.824 -0.210 1.00 27.27 C ATOM 728 O VAL A 97 4.176 16.658 0.773 1.00 27.23 O ATOM 729 CB VAL A 97 6.754 18.255 0.723 1.00 27.23 C ATOM 730 CG1 VAL A 97 7.734 17.085 0.673 1.00 27.29 C ATOM 731 CG2 VAL A 97 7.510 19.572 0.609 1.00 27.18 C ATOM 732 H VAL A 97 4.034 19.346 0.302 1.00 0.00 H ATOM 733 N SER A 98 5.039 15.914 -1.168 1.00 27.34 N ATOM 734 CA SER A 98 4.453 14.583 -1.057 1.00 27.42 C ATOM 735 C SER A 98 5.547 13.522 -1.132 1.00 27.52 C ATOM 736 O SER A 98 6.695 13.830 -1.457 1.00 27.55 O ATOM 737 CB SER A 98 3.394 14.358 -2.141 1.00 27.39 C ATOM 738 OG SER A 98 3.957 14.433 -3.438 1.00 27.35 O ATOM 739 HG SER A 98 4.657 13.739 -3.533 1.00 0.00 H ATOM 740 H SER A 98 5.582 16.158 -2.021 1.00 0.00 H ATOM 741 N GLY A 99 5.194 12.280 -0.817 1.00 27.67 N ATOM 742 CA GLY A 99 6.146 11.179 -0.891 1.00 27.88 C ATOM 743 C GLY A 99 5.615 9.858 -0.376 1.00 28.05 C ATOM 744 O GLY A 99 4.425 9.726 -0.087 1.00 28.01 O ATOM 745 H GLY A 99 4.218 12.090 -0.511 1.00 0.00 H ATOM 746 N LYS A 100 6.513 8.880 -0.270 1.00 28.28 N ATOM 747 CA LYS A 100 6.178 7.542 0.213 1.00 28.57 C ATOM 748 C LYS A 100 7.289 6.978 1.095 1.00 28.72 C ATOM 749 O LYS A 100 8.456 7.341 0.940 1.00 28.80 O ATOM 750 CB LYS A 100 5.895 6.596 -0.960 1.00 28.59 C ATOM 751 CG LYS A 100 4.525 6.786 -1.599 1.00 28.80 C ATOM 752 CD LYS A 100 4.382 5.983 -2.876 1.00 29.14 C ATOM 753 CE LYS A 100 3.054 6.275 -3.559 1.00 29.34 C ATOM 754 NZ LYS A 100 2.834 5.407 -4.750 1.00 29.46 N ATOM 755 HZ1 LYS A 100 3.596 5.567 -5.440 1.00 0.00 H ATOM 756 HZ2 LYS A 100 2.835 4.410 -4.456 1.00 0.00 H ATOM 757 HZ3 LYS A 100 1.918 5.641 -5.183 1.00 0.00 H ATOM 758 H LYS A 100 7.497 9.077 -0.543 1.00 0.00 H ATOM 759 N TYR A 101 6.918 6.091 2.018 1.00 28.95 N ATOM 760 CA TYR A 101 7.869 5.476 2.947 1.00 29.16 C ATOM 761 C TYR A 101 7.367 4.134 3.488 1.00 29.33 C ATOM 762 O TYR A 101 6.170 3.842 3.434 1.00 29.39 O ATOM 763 CB TYR A 101 8.167 6.430 4.115 1.00 29.16 C ATOM 764 CG TYR A 101 6.990 6.679 5.042 1.00 29.28 C ATOM 765 CD1 TYR A 101 6.798 5.897 6.184 1.00 29.33 C ATOM 766 CD2 TYR A 101 6.072 7.698 4.782 1.00 29.26 C ATOM 767 CE1 TYR A 101 5.724 6.121 7.039 1.00 29.16 C ATOM 768 CE2 TYR A 101 4.994 7.930 5.632 1.00 29.15 C ATOM 769 CZ TYR A 101 4.827 7.137 6.757 1.00 29.25 C ATOM 770 OH TYR A 101 3.764 7.360 7.602 1.00 29.42 O ATOM 771 HH TYR A 101 2.917 7.249 7.101 1.00 0.00 H ATOM 772 H TYR A 101 5.915 5.825 2.081 1.00 0.00 H ATOM 773 N LYS A 102 8.291 3.324 4.003 1.00 29.49 N ATOM 774 CA LYS A 102 7.937 2.137 4.783 1.00 29.65 C ATOM 775 C LYS A 102 8.520 2.261 6.199 1.00 29.62 C ATOM 776 O LYS A 102 7.910 2.888 7.069 1.00 29.69 O ATOM 777 CB LYS A 102 8.370 0.840 4.077 1.00 29.77 C ATOM 778 CG LYS A 102 9.877 0.659 3.871 1.00 30.32 C ATOM 779 CD LYS A 102 10.220 -0.811 3.689 1.00 31.40 C ATOM 780 CE LYS A 102 11.605 -1.134 4.226 1.00 31.85 C ATOM 781 NZ LYS A 102 11.899 -2.599 4.166 1.00 32.20 N ATOM 782 HZ1 LYS A 102 11.199 -3.115 4.736 1.00 0.00 H ATOM 783 HZ2 LYS A 102 11.849 -2.921 3.178 1.00 0.00 H ATOM 784 HZ3 LYS A 102 12.853 -2.776 4.541 1.00 0.00 H ATOM 785 H LYS A 102 9.296 3.542 3.846 1.00 0.00 H ATOM 786 N TRP A 103 9.691 1.668 6.419 1.00 29.54 N ATOM 787 CA TRP A 103 10.486 1.912 7.618 1.00 29.42 C ATOM 788 C TRP A 103 11.439 3.070 7.332 1.00 29.22 C ATOM 789 O TRP A 103 11.859 3.787 8.242 1.00 29.19 O ATOM 790 CB TRP A 103 11.278 0.661 8.010 1.00 29.58 C ATOM 791 CG TRP A 103 10.417 -0.526 8.336 1.00 29.73 C ATOM 792 CD1 TRP A 103 10.071 -1.542 7.493 1.00 29.91 C ATOM 793 CD2 TRP A 103 9.792 -0.817 9.594 1.00 29.92 C ATOM 794 NE1 TRP A 103 9.270 -2.449 8.146 1.00 30.02 N ATOM 795 CE2 TRP A 103 9.083 -2.029 9.437 1.00 29.97 C ATOM 796 CE3 TRP A 103 9.763 -0.171 10.839 1.00 30.03 C ATOM 797 CZ2 TRP A 103 8.351 -2.613 10.479 1.00 29.87 C ATOM 798 CZ3 TRP A 103 9.034 -0.752 11.876 1.00 29.91 C ATOM 799 CH2 TRP A 103 8.338 -1.961 11.687 1.00 29.87 C ATOM 800 HE1 TRP A 103 8.871 -3.314 7.728 1.00 0.00 H ATOM 801 H TRP A 103 10.055 1.003 5.707 1.00 0.00 H ATOM 802 N TYR A 104 11.773 3.232 6.052 1.00 28.94 N ATOM 803 CA TYR A 104 12.654 4.297 5.583 1.00 28.64 C ATOM 804 C TYR A 104 11.979 5.070 4.455 1.00 28.46 C ATOM 805 O TYR A 104 11.104 4.537 3.766 1.00 28.44 O ATOM 806 CB TYR A 104 13.989 3.720 5.097 1.00 28.60 C ATOM 807 CG TYR A 104 14.562 2.640 5.988 1.00 28.53 C ATOM 808 CD1 TYR A 104 15.148 2.958 7.213 1.00 28.53 C ATOM 809 CD2 TYR A 104 14.517 1.298 5.607 1.00 28.41 C ATOM 810 CE1 TYR A 104 15.672 1.968 8.037 1.00 28.71 C ATOM 811 CE2 TYR A 104 15.039 0.299 6.423 1.00 28.38 C ATOM 812 CZ TYR A 104 15.616 0.642 7.636 1.00 28.61 C ATOM 813 OH TYR A 104 16.139 -0.335 8.453 1.00 28.55 O ATOM 814 HH TYR A 104 16.507 0.083 9.271 1.00 0.00 H ATOM 815 H TYR A 104 11.387 2.566 5.352 1.00 0.00 H ATOM 816 N LEU A 105 12.392 6.323 4.274 1.00 28.20 N ATOM 817 CA LEU A 105 11.849 7.180 3.223 1.00 27.96 C ATOM 818 C LEU A 105 12.194 6.627 1.843 1.00 27.78 C ATOM 819 O LEU A 105 13.332 6.226 1.593 1.00 27.80 O ATOM 820 CB LEU A 105 12.368 8.614 3.377 1.00 27.98 C ATOM 821 CG LEU A 105 11.707 9.718 2.546 1.00 27.98 C ATOM 822 CD1 LEU A 105 10.289 10.012 3.035 1.00 28.01 C ATOM 823 CD2 LEU A 105 12.556 10.975 2.581 1.00 27.95 C ATOM 824 H LEU A 105 13.127 6.705 4.903 1.00 0.00 H ATOM 825 N LYS A 106 11.201 6.608 0.956 1.00 27.55 N ATOM 826 CA LYS A 106 11.349 6.001 -0.367 1.00 27.36 C ATOM 827 C LYS A 106 11.136 6.986 -1.517 1.00 27.17 C ATOM 828 O LYS A 106 11.788 6.873 -2.556 1.00 27.20 O ATOM 829 CB LYS A 106 10.401 4.806 -0.518 1.00 27.36 C ATOM 830 CG LYS A 106 10.708 3.634 0.412 1.00 27.46 C ATOM 831 CD LYS A 106 9.648 2.543 0.315 1.00 27.54 C ATOM 832 CE LYS A 106 9.916 1.583 -0.837 1.00 28.05 C ATOM 833 NZ LYS A 106 10.962 0.575 -0.496 1.00 28.38 N ATOM 834 HZ1 LYS A 106 11.851 1.064 -0.267 1.00 0.00 H ATOM 835 HZ2 LYS A 106 10.650 0.018 0.325 1.00 0.00 H ATOM 836 HZ3 LYS A 106 11.111 -0.056 -1.309 1.00 0.00 H ATOM 837 H LYS A 106 10.290 7.039 1.212 1.00 0.00 H ATOM 838 N LYS A 107 10.224 7.940 -1.334 1.00 26.93 N ATOM 839 CA LYS A 107 9.905 8.914 -2.379 1.00 26.70 C ATOM 840 C LYS A 107 9.728 10.329 -1.832 1.00 26.47 C ATOM 841 O LYS A 107 9.289 10.513 -0.697 1.00 26.46 O ATOM 842 CB LYS A 107 8.648 8.489 -3.148 1.00 26.70 C ATOM 843 CG LYS A 107 8.526 9.119 -4.528 1.00 26.70 C ATOM 844 CD LYS A 107 7.211 8.776 -5.197 1.00 26.89 C ATOM 845 CE LYS A 107 7.094 9.479 -6.540 1.00 27.40 C ATOM 846 NZ LYS A 107 5.795 9.196 -7.208 1.00 27.87 N ATOM 847 HZ1 LYS A 107 5.705 8.172 -7.368 1.00 0.00 H ATOM 848 HZ2 LYS A 107 5.016 9.523 -6.601 1.00 0.00 H ATOM 849 HZ3 LYS A 107 5.759 9.695 -8.120 1.00 0.00 H ATOM 850 H LYS A 107 9.725 7.994 -0.423 1.00 0.00 H ATOM 851 N LEU A 108 10.088 11.316 -2.653 1.00 26.18 N ATOM 852 CA LEU A 108 9.864 12.731 -2.355 1.00 25.92 C ATOM 853 C LEU A 108 9.507 13.505 -3.621 1.00 25.82 C ATOM 854 O LEU A 108 10.168 13.363 -4.651 1.00 25.86 O ATOM 855 CB LEU A 108 11.099 13.362 -1.705 1.00 25.89 C ATOM 856 CG LEU A 108 11.316 13.252 -0.193 1.00 25.75 C ATOM 857 CD1 LEU A 108 12.661 13.854 0.173 1.00 25.73 C ATOM 858 CD2 LEU A 108 10.201 13.928 0.593 1.00 25.75 C ATOM 859 H LEU A 108 10.551 11.068 -3.550 1.00 0.00 H ATOM 860 N VAL A 109 8.454 14.314 -3.537 1.00 25.65 N ATOM 861 CA VAL A 109 8.053 15.191 -4.635 1.00 25.54 C ATOM 862 C VAL A 109 7.856 16.615 -4.117 1.00 25.53 C ATOM 863 O VAL A 109 6.953 16.877 -3.318 1.00 25.51 O ATOM 864 CB VAL A 109 6.763 14.698 -5.349 1.00 25.50 C ATOM 865 CG1 VAL A 109 6.350 15.670 -6.451 1.00 25.39 C ATOM 866 CG2 VAL A 109 6.956 13.303 -5.925 1.00 25.46 C ATOM 867 H VAL A 109 7.897 14.323 -2.659 1.00 0.00 H ATOM 868 N PHE A 110 8.713 17.522 -4.576 1.00 25.50 N ATOM 869 CA PHE A 110 8.654 18.925 -4.180 1.00 25.49 C ATOM 870 C PHE A 110 7.902 19.745 -5.223 1.00 25.56 C ATOM 871 O PHE A 110 8.349 19.876 -6.365 1.00 25.58 O ATOM 872 CB PHE A 110 10.065 19.487 -3.978 1.00 25.46 C ATOM 873 CG PHE A 110 10.820 18.853 -2.841 1.00 25.42 C ATOM 874 CD1 PHE A 110 10.755 19.392 -1.560 1.00 25.37 C ATOM 875 CD2 PHE A 110 11.605 17.722 -3.051 1.00 25.38 C ATOM 876 CE1 PHE A 110 11.454 18.812 -0.504 1.00 25.29 C ATOM 877 CE2 PHE A 110 12.307 17.134 -2.000 1.00 25.24 C ATOM 878 CZ PHE A 110 12.231 17.681 -0.725 1.00 25.26 C ATOM 879 H PHE A 110 9.453 17.220 -5.242 1.00 0.00 H ATOM 880 N VAL A 111 6.753 20.285 -4.825 1.00 25.65 N ATOM 881 CA VAL A 111 5.935 21.114 -5.709 1.00 25.77 C ATOM 882 C VAL A 111 6.237 22.589 -5.449 1.00 25.95 C ATOM 883 O VAL A 111 6.146 23.059 -4.313 1.00 26.02 O ATOM 884 CB VAL A 111 4.422 20.843 -5.522 1.00 25.69 C ATOM 885 CG1 VAL A 111 3.608 21.557 -6.594 1.00 25.70 C ATOM 886 CG2 VAL A 111 4.134 19.347 -5.546 1.00 25.68 C ATOM 887 H VAL A 111 6.426 20.112 -3.853 1.00 0.00 H ATOM 888 N THR A 112 6.600 23.309 -6.506 1.00 26.12 N ATOM 889 CA THR A 112 6.988 24.714 -6.389 1.00 26.26 C ATOM 890 C THR A 112 5.880 25.648 -6.876 1.00 26.42 C ATOM 891 O THR A 112 4.932 25.206 -7.529 1.00 26.41 O ATOM 892 CB THR A 112 8.287 25.008 -7.169 1.00 26.24 C ATOM 893 OG1 THR A 112 8.046 24.882 -8.576 1.00 26.29 O ATOM 894 CG2 THR A 112 9.406 24.055 -6.753 1.00 26.04 C ATOM 895 HG1 THR A 112 8.882 25.072 -9.071 1.00 0.00 H ATOM 896 H THR A 112 6.608 22.860 -7.444 1.00 0.00 H ATOM 897 N ASP A 113 6.009 26.936 -6.557 1.00 26.63 N ATOM 898 CA ASP A 113 5.027 27.944 -6.971 1.00 26.86 C ATOM 899 C ASP A 113 5.111 28.289 -8.462 1.00 27.01 C ATOM 900 O ASP A 113 4.213 28.939 -9.004 1.00 27.09 O ATOM 901 CB ASP A 113 5.120 29.210 -6.103 1.00 26.86 C ATOM 902 CG ASP A 113 6.505 29.843 -6.114 1.00 27.05 C ATOM 903 OD1 ASP A 113 7.107 29.987 -7.199 1.00 27.38 O ATOM 904 OD2 ASP A 113 6.985 30.220 -5.025 1.00 27.34 O ATOM 905 H ASP A 113 6.832 27.236 -5.997 1.00 0.00 H ATOM 906 N LYS A 114 6.190 27.853 -9.113 1.00 27.16 N ATOM 907 CA LYS A 114 6.348 28.005 -10.561 1.00 27.30 C ATOM 908 C LYS A 114 5.706 26.850 -11.335 1.00 27.38 C ATOM 909 O LYS A 114 5.766 26.807 -12.566 1.00 27.38 O ATOM 910 CB LYS A 114 7.827 28.146 -10.934 1.00 27.32 C ATOM 911 CG LYS A 114 8.372 29.558 -10.785 1.00 27.53 C ATOM 912 CD LYS A 114 9.801 29.658 -11.299 1.00 28.05 C ATOM 913 CE LYS A 114 10.194 31.102 -11.596 1.00 28.48 C ATOM 914 NZ LYS A 114 10.269 31.953 -10.372 1.00 28.92 N ATOM 915 HZ1 LYS A 114 9.340 31.969 -9.905 1.00 0.00 H ATOM 916 HZ2 LYS A 114 10.979 31.560 -9.721 1.00 0.00 H ATOM 917 HZ3 LYS A 114 10.540 32.921 -10.640 1.00 0.00 H ATOM 918 H LYS A 114 6.947 27.388 -8.573 1.00 0.00 H ATOM 919 N GLY A 115 5.093 25.920 -10.604 1.00 27.48 N ATOM 920 CA GLY A 115 4.395 24.784 -11.200 1.00 27.60 C ATOM 921 C GLY A 115 5.319 23.670 -11.653 1.00 27.70 C ATOM 922 O GLY A 115 5.112 23.079 -12.713 1.00 27.77 O ATOM 923 H GLY A 115 5.112 26.006 -9.568 1.00 0.00 H ATOM 924 N ARG A 116 6.340 23.386 -10.848 1.00 27.78 N ATOM 925 CA ARG A 116 7.281 22.307 -11.140 1.00 27.87 C ATOM 926 C ARG A 116 7.172 21.194 -10.108 1.00 27.93 C ATOM 927 O ARG A 116 7.040 21.454 -8.911 1.00 27.98 O ATOM 928 CB ARG A 116 8.720 22.827 -11.199 1.00 27.85 C ATOM 929 CG ARG A 116 9.003 23.783 -12.353 1.00 27.97 C ATOM 930 CD ARG A 116 10.479 23.780 -12.729 1.00 28.04 C ATOM 931 NE ARG A 116 11.332 24.251 -11.640 1.00 28.26 N ATOM 932 CZ ARG A 116 12.649 24.073 -11.581 1.00 28.53 C ATOM 933 NH1 ARG A 116 13.287 23.424 -12.548 1.00 28.55 N ATOM 934 NH2 ARG A 116 13.332 24.542 -10.545 1.00 28.75 N ATOM 935 HE ARG A 116 10.878 24.761 -10.856 1.00 0.00 H ATOM 936 HH12 ARG A 116 14.317 23.290 -12.493 1.00 0.00 H ATOM 937 HH11 ARG A 116 12.757 23.050 -13.361 1.00 0.00 H ATOM 938 HH22 ARG A 116 14.362 24.405 -10.496 1.00 0.00 H ATOM 939 HH21 ARG A 116 12.838 25.047 -9.782 1.00 0.00 H ATOM 940 H ARG A 116 6.472 23.950 -9.984 1.00 0.00 H ATOM 941 N TYR A 117 7.229 19.955 -10.587 1.00 28.03 N ATOM 942 CA TYR A 117 7.146 18.778 -9.728 1.00 28.12 C ATOM 943 C TYR A 117 8.483 18.041 -9.717 1.00 28.12 C ATOM 944 O TYR A 117 8.783 17.254 -10.617 1.00 28.09 O ATOM 945 CB TYR A 117 6.007 17.859 -10.187 1.00 28.21 C ATOM 946 CG TYR A 117 4.620 18.406 -9.914 1.00 28.32 C ATOM 947 CD1 TYR A 117 3.823 17.862 -8.907 1.00 28.51 C ATOM 948 CD2 TYR A 117 4.102 19.466 -10.661 1.00 28.33 C ATOM 949 CE1 TYR A 117 2.547 18.359 -8.649 1.00 28.57 C ATOM 950 CE2 TYR A 117 2.829 19.972 -10.410 1.00 28.38 C ATOM 951 CZ TYR A 117 2.058 19.414 -9.403 1.00 28.49 C ATOM 952 OH TYR A 117 0.798 19.909 -9.151 1.00 28.53 O ATOM 953 HH TYR A 117 0.388 19.401 -8.407 1.00 0.00 H ATOM 954 H TYR A 117 7.337 19.819 -11.612 1.00 0.00 H ATOM 955 N LEU A 118 9.283 18.314 -8.690 1.00 28.22 N ATOM 956 CA LEU A 118 10.628 17.755 -8.575 1.00 28.32 C ATOM 957 C LEU A 118 10.595 16.427 -7.817 1.00 28.42 C ATOM 958 O LEU A 118 10.597 16.400 -6.585 1.00 28.41 O ATOM 959 CB LEU A 118 11.573 18.758 -7.898 1.00 28.27 C ATOM 960 CG LEU A 118 11.488 20.232 -8.324 1.00 28.18 C ATOM 961 CD1 LEU A 118 12.325 21.106 -7.403 1.00 28.14 C ATOM 962 CD2 LEU A 118 11.899 20.433 -9.780 1.00 28.13 C ATOM 963 H LEU A 118 8.939 18.949 -7.941 1.00 0.00 H ATOM 964 N SER A 119 10.568 15.332 -8.573 1.00 28.62 N ATOM 965 CA SER A 119 10.374 13.997 -8.010 1.00 28.84 C ATOM 966 C SER A 119 11.679 13.227 -7.832 1.00 28.94 C ATOM 967 O SER A 119 12.541 13.230 -8.714 1.00 29.01 O ATOM 968 CB SER A 119 9.407 13.191 -8.880 1.00 28.85 C ATOM 969 OG SER A 119 9.103 11.943 -8.283 1.00 29.23 O ATOM 970 HG SER A 119 8.477 11.444 -8.865 1.00 0.00 H ATOM 971 H SER A 119 10.689 15.430 -9.601 1.00 0.00 H ATOM 972 N PHE A 120 11.805 12.570 -6.682 1.00 29.06 N ATOM 973 CA PHE A 120 12.956 11.728 -6.367 1.00 29.16 C ATOM 974 C PHE A 120 12.481 10.418 -5.751 1.00 29.27 C ATOM 975 O PHE A 120 11.542 10.410 -4.952 1.00 29.28 O ATOM 976 CB PHE A 120 13.889 12.420 -5.368 1.00 29.13 C ATOM 977 CG PHE A 120 14.332 13.797 -5.780 1.00 29.22 C ATOM 978 CD1 PHE A 120 15.477 13.973 -6.552 1.00 29.17 C ATOM 979 CD2 PHE A 120 13.621 14.923 -5.370 1.00 29.23 C ATOM 980 CE1 PHE A 120 15.899 15.248 -6.924 1.00 29.20 C ATOM 981 CE2 PHE A 120 14.033 16.202 -5.737 1.00 29.18 C ATOM 982 CZ PHE A 120 15.176 16.364 -6.513 1.00 29.13 C ATOM 983 H PHE A 120 11.048 12.660 -5.974 1.00 0.00 H ATOM 984 N GLY A 121 13.131 9.316 -6.118 1.00 29.41 N ATOM 985 CA GLY A 121 12.900 8.029 -5.461 1.00 29.63 C ATOM 986 C GLY A 121 11.937 7.078 -6.148 1.00 29.75 C ATOM 987 O GLY A 121 11.644 7.221 -7.337 1.00 29.78 O ATOM 988 H GLY A 121 13.822 9.371 -6.893 1.00 0.00 H ATOM 989 N LYS A 122 11.444 6.105 -5.384 1.00 29.89 N ATOM 990 CA LYS A 122 10.615 5.027 -5.926 1.00 30.08 C ATOM 991 C LYS A 122 9.151 5.114 -5.515 1.00 30.05 C ATOM 992 O LYS A 122 8.831 5.358 -4.350 1.00 30.07 O ATOM 993 CB LYS A 122 11.190 3.658 -5.543 1.00 30.19 C ATOM 994 CG LYS A 122 12.407 3.237 -6.364 1.00 30.58 C ATOM 995 CD LYS A 122 12.023 2.800 -7.777 1.00 31.02 C ATOM 996 CE LYS A 122 13.249 2.545 -8.643 1.00 31.28 C ATOM 997 NZ LYS A 122 14.021 3.790 -8.918 1.00 31.55 N ATOM 998 HZ1 LYS A 122 13.412 4.471 -9.415 1.00 0.00 H ATOM 999 HZ2 LYS A 122 14.343 4.203 -8.019 1.00 0.00 H ATOM 1000 HZ3 LYS A 122 14.845 3.562 -9.511 1.00 0.00 H ATOM 1001 H LYS A 122 11.656 6.111 -4.366 1.00 0.00 H ATOM 1002 N ASP A 123 8.274 4.887 -6.489 1.00 30.05 N ATOM 1003 CA ASP A 123 6.830 4.973 -6.302 1.00 30.06 C ATOM 1004 C ASP A 123 6.275 3.704 -5.647 1.00 29.95 C ATOM 1005 O ASP A 123 5.695 2.845 -6.318 1.00 30.01 O ATOM 1006 CB ASP A 123 6.149 5.237 -7.652 1.00 30.17 C ATOM 1007 CG ASP A 123 4.695 5.645 -7.510 1.00 30.49 C ATOM 1008 OD1 ASP A 123 4.394 6.537 -6.685 1.00 30.77 O ATOM 1009 OD2 ASP A 123 3.853 5.079 -8.240 1.00 30.92 O ATOM 1010 H ASP A 123 8.636 4.636 -7.431 1.00 0.00 H ATOM 1011 N SER A 124 6.468 3.597 -4.333 1.00 29.76 N ATOM 1012 CA SER A 124 5.988 2.458 -3.549 1.00 29.59 C ATOM 1013 C SER A 124 5.987 2.791 -2.058 1.00 29.40 C ATOM 1014 O SER A 124 6.921 3.422 -1.558 1.00 29.44 O ATOM 1015 CB SER A 124 6.857 1.219 -3.806 1.00 29.69 C ATOM 1016 OG SER A 124 6.315 0.061 -3.189 1.00 29.76 O ATOM 1017 HG SER A 124 6.900 -0.715 -3.376 1.00 0.00 H ATOM 1018 H SER A 124 6.982 4.356 -3.843 1.00 0.00 H ATOM 1019 N GLY A 125 4.938 2.366 -1.357 1.00 29.14 N ATOM 1020 CA GLY A 125 4.863 2.521 0.097 1.00 28.83 C ATOM 1021 C GLY A 125 3.747 3.421 0.597 1.00 28.62 C ATOM 1022 O GLY A 125 2.872 3.835 -0.171 1.00 28.62 O ATOM 1023 H GLY A 125 4.148 1.910 -1.857 1.00 0.00 H ATOM 1024 N THR A 126 3.789 3.715 1.897 1.00 28.32 N ATOM 1025 CA THR A 126 2.803 4.569 2.562 1.00 28.03 C ATOM 1026 C THR A 126 2.894 6.011 2.061 1.00 27.86 C ATOM 1027 O THR A 126 3.939 6.656 2.179 1.00 27.80 O ATOM 1028 CB THR A 126 2.983 4.542 4.103 1.00 28.04 C ATOM 1029 OG1 THR A 126 2.926 3.189 4.573 1.00 28.07 O ATOM 1030 CG2 THR A 126 1.904 5.367 4.799 1.00 27.98 C ATOM 1031 HG1 THR A 126 2.048 2.796 4.338 1.00 0.00 H ATOM 1032 H THR A 126 4.562 3.317 2.468 1.00 0.00 H ATOM 1033 N SER A 127 1.790 6.502 1.505 1.00 27.60 N ATOM 1034 CA SER A 127 1.721 7.853 0.955 1.00 27.32 C ATOM 1035 C SER A 127 1.526 8.918 2.030 1.00 27.06 C ATOM 1036 O SER A 127 0.939 8.658 3.084 1.00 26.99 O ATOM 1037 CB SER A 127 0.590 7.950 -0.071 1.00 27.34 C ATOM 1038 OG SER A 127 0.852 7.138 -1.201 1.00 27.70 O ATOM 1039 HG SER A 127 0.105 7.221 -1.846 1.00 0.00 H ATOM 1040 H SER A 127 0.943 5.900 1.460 1.00 0.00 H ATOM 1041 N PHE A 128 2.039 10.115 1.753 1.00 26.75 N ATOM 1042 CA PHE A 128 1.751 11.299 2.557 1.00 26.50 C ATOM 1043 C PHE A 128 1.729 12.545 1.678 1.00 26.35 C ATOM 1044 O PHE A 128 2.417 12.604 0.658 1.00 26.34 O ATOM 1045 CB PHE A 128 2.743 11.450 3.722 1.00 26.49 C ATOM 1046 CG PHE A 128 4.131 11.870 3.309 1.00 26.47 C ATOM 1047 CD1 PHE A 128 4.453 13.219 3.157 1.00 26.37 C ATOM 1048 CD2 PHE A 128 5.126 10.919 3.102 1.00 26.50 C ATOM 1049 CE1 PHE A 128 5.737 13.612 2.783 1.00 26.24 C ATOM 1050 CE2 PHE A 128 6.416 11.303 2.732 1.00 26.45 C ATOM 1051 CZ PHE A 128 6.720 12.653 2.572 1.00 26.35 C ATOM 1052 H PHE A 128 2.670 10.210 0.932 1.00 0.00 H ATOM 1053 N ASN A 129 0.931 13.532 2.077 1.00 26.17 N ATOM 1054 CA ASN A 129 0.833 14.792 1.346 1.00 25.99 C ATOM 1055 C ASN A 129 0.842 15.980 2.302 1.00 25.89 C ATOM 1056 O ASN A 129 -0.109 16.189 3.059 1.00 25.92 O ATOM 1057 CB ASN A 129 -0.415 14.804 0.459 1.00 25.94 C ATOM 1058 CG ASN A 129 -0.408 15.937 -0.552 1.00 25.93 C ATOM 1059 OD1 ASN A 129 -0.582 17.105 -0.201 1.00 25.88 O ATOM 1060 ND2 ASN A 129 -0.226 15.593 -1.821 1.00 25.67 N ATOM 1061 HD22 ASN A 129 -0.083 14.594 -2.074 1.00 0.00 H ATOM 1062 HD21 ASN A 129 -0.227 16.322 -2.563 1.00 0.00 H ATOM 1063 H ASN A 129 0.359 13.402 2.936 1.00 0.00 H ATOM 1064 N ALA A 130 1.926 16.748 2.258 1.00 25.73 N ATOM 1065 CA ALA A 130 2.131 17.860 3.181 1.00 25.60 C ATOM 1066 C ALA A 130 1.834 19.210 2.537 1.00 25.46 C ATOM 1067 O ALA A 130 2.353 19.531 1.465 1.00 25.41 O ATOM 1068 CB ALA A 130 3.549 17.834 3.736 1.00 25.61 C ATOM 1069 H ALA A 130 2.653 16.550 1.541 1.00 0.00 H ATOM 1070 N VAL A 131 0.984 19.984 3.205 1.00 25.32 N ATOM 1071 CA VAL A 131 0.662 21.351 2.797 1.00 25.20 C ATOM 1072 C VAL A 131 0.765 22.299 3.997 1.00 25.14 C ATOM 1073 O VAL A 131 0.442 21.905 5.124 1.00 25.09 O ATOM 1074 CB VAL A 131 -0.747 21.462 2.140 1.00 25.19 C ATOM 1075 CG1 VAL A 131 -0.731 20.888 0.728 1.00 25.19 C ATOM 1076 CG2 VAL A 131 -1.821 20.785 2.992 1.00 25.14 C ATOM 1077 H VAL A 131 0.527 19.600 4.057 1.00 0.00 H ATOM 1078 N PRO A 132 1.238 23.542 3.765 1.00 25.08 N ATOM 1079 CA PRO A 132 1.320 24.536 4.838 1.00 25.03 C ATOM 1080 C PRO A 132 -0.044 24.846 5.454 1.00 25.02 C ATOM 1081 O PRO A 132 -1.036 24.989 4.736 1.00 25.04 O ATOM 1082 CB PRO A 132 1.889 25.774 4.132 1.00 24.99 C ATOM 1083 CG PRO A 132 1.638 25.552 2.686 1.00 24.98 C ATOM 1084 CD PRO A 132 1.741 24.080 2.490 1.00 25.02 C ATOM 1085 N LEU A 133 -0.077 24.935 6.780 1.00 25.00 N ATOM 1086 CA LEU A 133 -1.309 25.166 7.527 1.00 25.04 C ATOM 1087 C LEU A 133 -1.793 26.614 7.426 1.00 25.00 C ATOM 1088 O LEU A 133 -2.998 26.868 7.365 1.00 25.00 O ATOM 1089 CB LEU A 133 -1.107 24.769 8.995 1.00 25.09 C ATOM 1090 CG LEU A 133 -2.180 25.046 10.054 1.00 25.25 C ATOM 1091 CD1 LEU A 133 -3.402 24.154 9.866 1.00 25.42 C ATOM 1092 CD2 LEU A 133 -1.593 24.864 11.449 1.00 25.12 C ATOM 1093 H LEU A 133 0.814 24.836 7.308 1.00 0.00 H ATOM 1094 N HIS A 134 -0.850 27.552 7.402 1.00 24.94 N ATOM 1095 CA HIS A 134 -1.169 28.978 7.475 1.00 24.87 C ATOM 1096 C HIS A 134 -1.049 29.702 6.126 1.00 24.74 C ATOM 1097 O HIS A 134 -0.408 29.187 5.206 1.00 24.72 O ATOM 1098 CB HIS A 134 -0.314 29.647 8.556 1.00 24.93 C ATOM 1099 CG HIS A 134 -0.578 29.124 9.934 1.00 25.18 C ATOM 1100 ND1 HIS A 134 -1.785 29.299 10.577 1.00 25.44 N ATOM 1101 CD2 HIS A 134 0.205 28.422 10.787 1.00 25.55 C ATOM 1102 CE1 HIS A 134 -1.733 28.729 11.768 1.00 25.64 C ATOM 1103 NE2 HIS A 134 -0.536 28.191 11.921 1.00 25.64 N ATOM 1104 H HIS A 134 0.146 27.262 7.329 1.00 0.00 H ATOM 1105 N PRO A 135 -1.684 30.890 6.002 1.00 24.61 N ATOM 1106 CA PRO A 135 -1.706 31.658 4.753 1.00 24.54 C ATOM 1107 C PRO A 135 -0.328 32.057 4.229 1.00 24.53 C ATOM 1108 O PRO A 135 0.540 32.465 5.005 1.00 24.49 O ATOM 1109 CB PRO A 135 -2.497 32.919 5.127 1.00 24.49 C ATOM 1110 CG PRO A 135 -3.297 32.537 6.303 1.00 24.53 C ATOM 1111 CD PRO A 135 -2.450 31.572 7.062 1.00 24.63 C ATOM 1112 N ASN A 136 -0.151 31.921 2.915 1.00 24.54 N ATOM 1113 CA ASN A 136 1.014 32.432 2.176 1.00 24.58 C ATOM 1114 C ASN A 136 2.389 31.997 2.701 1.00 24.55 C ATOM 1115 O ASN A 136 3.374 32.731 2.572 1.00 24.57 O ATOM 1116 CB ASN A 136 0.931 33.962 2.040 1.00 24.62 C ATOM 1117 CG ASN A 136 -0.414 34.431 1.496 1.00 24.82 C ATOM 1118 OD1 ASN A 136 -1.111 35.222 2.134 1.00 24.94 O ATOM 1119 ND2 ASN A 136 -0.786 33.936 0.317 1.00 24.81 N ATOM 1120 HD22 ASN A 136 -0.165 33.271 -0.187 1.00 0.00 H ATOM 1121 HD21 ASN A 136 -1.697 34.215 -0.100 1.00 0.00 H ATOM 1122 H ASN A 136 -0.886 31.420 2.376 1.00 0.00 H ATOM 1123 N THR A 137 2.449 30.800 3.280 1.00 24.47 N ATOM 1124 CA THR A 137 3.696 30.265 3.824 1.00 24.44 C ATOM 1125 C THR A 137 4.286 29.192 2.912 1.00 24.38 C ATOM 1126 O THR A 137 3.553 28.458 2.247 1.00 24.47 O ATOM 1127 CB THR A 137 3.512 29.695 5.250 1.00 24.42 C ATOM 1128 OG1 THR A 137 2.406 28.787 5.270 1.00 24.59 O ATOM 1129 CG2 THR A 137 3.260 30.815 6.252 1.00 24.39 C ATOM 1130 HG1 THR A 137 2.294 28.426 6.185 1.00 0.00 H ATOM 1131 H THR A 137 1.583 30.228 3.347 1.00 0.00 H ATOM 1132 N VAL A 138 5.615 29.118 2.885 1.00 24.29 N ATOM 1133 CA VAL A 138 6.338 28.155 2.048 1.00 24.17 C ATOM 1134 C VAL A 138 7.309 27.316 2.886 1.00 24.06 C ATOM 1135 O VAL A 138 7.459 27.554 4.087 1.00 24.06 O ATOM 1136 CB VAL A 138 7.094 28.855 0.882 1.00 24.18 C ATOM 1137 CG1 VAL A 138 6.113 29.540 -0.064 1.00 24.25 C ATOM 1138 CG2 VAL A 138 8.117 29.855 1.411 1.00 24.13 C ATOM 1139 H VAL A 138 6.163 29.770 3.482 1.00 0.00 H ATOM 1140 N LEU A 139 7.957 26.340 2.253 1.00 23.90 N ATOM 1141 CA LEU A 139 8.934 25.489 2.935 1.00 23.79 C ATOM 1142 C LEU A 139 10.216 26.265 3.232 1.00 23.79 C ATOM 1143 O LEU A 139 10.863 26.785 2.319 1.00 23.72 O ATOM 1144 CB LEU A 139 9.236 24.234 2.104 1.00 23.79 C ATOM 1145 CG LEU A 139 10.133 23.140 2.698 1.00 23.69 C ATOM 1146 CD1 LEU A 139 9.492 22.471 3.909 1.00 23.65 C ATOM 1147 CD2 LEU A 139 10.469 22.106 1.640 1.00 23.72 C ATOM 1148 H LEU A 139 7.763 26.177 1.244 1.00 0.00 H ATOM 1149 N ARG A 140 10.571 26.343 4.513 1.00 23.78 N ATOM 1150 CA ARG A 140 11.742 27.108 4.944 1.00 23.80 C ATOM 1151 C ARG A 140 12.928 26.240 5.362 1.00 23.81 C ATOM 1152 O ARG A 140 14.080 26.602 5.110 1.00 23.84 O ATOM 1153 CB ARG A 140 11.372 28.110 6.045 1.00 23.83 C ATOM 1154 CG ARG A 140 10.594 29.333 5.543 1.00 23.96 C ATOM 1155 CD ARG A 140 11.293 30.002 4.361 1.00 24.18 C ATOM 1156 NE ARG A 140 10.589 31.190 3.882 1.00 24.19 N ATOM 1157 CZ ARG A 140 10.807 31.770 2.703 1.00 24.17 C ATOM 1158 NH1 ARG A 140 11.705 31.271 1.862 1.00 24.12 N ATOM 1159 NH2 ARG A 140 10.118 32.849 2.358 1.00 24.32 N ATOM 1160 HE ARG A 140 9.869 31.611 4.504 1.00 0.00 H ATOM 1161 HH12 ARG A 140 11.869 31.730 0.943 1.00 0.00 H ATOM 1162 HH11 ARG A 140 12.245 30.421 2.122 1.00 0.00 H ATOM 1163 HH22 ARG A 140 10.288 33.302 1.437 1.00 0.00 H ATOM 1164 HH21 ARG A 140 9.408 33.242 3.008 1.00 0.00 H ATOM 1165 H ARG A 140 10.000 25.847 5.227 1.00 0.00 H ATOM 1166 N PHE A 141 12.645 25.107 6.001 1.00 23.74 N ATOM 1167 CA PHE A 141 13.670 24.099 6.291 1.00 23.70 C ATOM 1168 C PHE A 141 13.068 22.713 6.519 1.00 23.73 C ATOM 1169 O PHE A 141 11.858 22.575 6.704 1.00 23.70 O ATOM 1170 CB PHE A 141 14.576 24.523 7.463 1.00 23.64 C ATOM 1171 CG PHE A 141 13.883 24.572 8.801 1.00 23.46 C ATOM 1172 CD1 PHE A 141 13.967 23.497 9.681 1.00 23.37 C ATOM 1173 CD2 PHE A 141 13.174 25.703 9.194 1.00 23.39 C ATOM 1174 CE1 PHE A 141 13.342 23.541 10.924 1.00 23.38 C ATOM 1175 CE2 PHE A 141 12.541 25.756 10.433 1.00 23.20 C ATOM 1176 CZ PHE A 141 12.628 24.673 11.300 1.00 23.38 C ATOM 1177 H PHE A 141 11.666 24.931 6.304 1.00 0.00 H ATOM 1178 N ILE A 142 13.920 21.691 6.486 1.00 23.79 N ATOM 1179 CA ILE A 142 13.491 20.313 6.722 1.00 23.93 C ATOM 1180 C ILE A 142 14.204 19.690 7.926 1.00 24.12 C ATOM 1181 O ILE A 142 15.309 20.099 8.289 1.00 24.15 O ATOM 1182 CB ILE A 142 13.667 19.406 5.462 1.00 23.89 C ATOM 1183 CG1 ILE A 142 15.142 19.284 5.060 1.00 23.81 C ATOM 1184 CG2 ILE A 142 12.815 19.916 4.296 1.00 23.81 C ATOM 1185 CD1 ILE A 142 15.463 18.028 4.268 1.00 23.68 C ATOM 1186 H ILE A 142 14.923 21.878 6.286 1.00 0.00 H ATOM 1187 N SER A 143 13.554 18.710 8.546 1.00 24.32 N ATOM 1188 CA SER A 143 14.156 17.941 9.629 1.00 24.60 C ATOM 1189 C SER A 143 13.850 16.454 9.437 1.00 24.78 C ATOM 1190 O SER A 143 13.318 16.058 8.397 1.00 24.85 O ATOM 1191 CB SER A 143 13.658 18.440 10.991 1.00 24.60 C ATOM 1192 OG SER A 143 12.260 18.251 11.133 1.00 24.72 O ATOM 1193 HG SER A 143 12.049 17.287 11.055 1.00 0.00 H ATOM 1194 H SER A 143 12.583 18.484 8.249 1.00 0.00 H ATOM 1195 N GLY A 144 14.199 15.635 10.427 1.00 24.95 N ATOM 1196 CA GLY A 144 13.869 14.214 10.393 1.00 25.13 C ATOM 1197 C GLY A 144 14.874 13.321 11.088 1.00 25.26 C ATOM 1198 O GLY A 144 15.559 13.743 12.023 1.00 25.25 O ATOM 1199 H GLY A 144 14.719 16.017 11.243 1.00 0.00 H ATOM 1200 N ARG A 145 14.950 12.075 10.626 1.00 25.38 N ATOM 1201 CA ARG A 145 15.875 11.085 11.173 1.00 25.46 C ATOM 1202 C ARG A 145 16.669 10.429 10.049 1.00 25.36 C ATOM 1203 O ARG A 145 16.119 10.128 8.987 1.00 25.36 O ATOM 1204 CB ARG A 145 15.121 10.020 11.975 1.00 25.46 C ATOM 1205 CG ARG A 145 14.318 10.559 13.153 1.00 25.64 C ATOM 1206 CD ARG A 145 13.806 9.438 14.047 1.00 25.83 C ATOM 1207 NE ARG A 145 14.890 8.761 14.760 1.00 26.91 N ATOM 1208 CZ ARG A 145 15.408 9.167 15.919 1.00 27.21 C ATOM 1209 NH1 ARG A 145 14.949 10.259 16.520 1.00 27.36 N ATOM 1210 NH2 ARG A 145 16.393 8.476 16.479 1.00 27.34 N ATOM 1211 HE ARG A 145 15.285 7.900 14.331 1.00 0.00 H ATOM 1212 HH12 ARG A 145 15.360 10.567 17.424 1.00 0.00 H ATOM 1213 HH11 ARG A 145 14.178 10.806 16.086 1.00 0.00 H ATOM 1214 HH22 ARG A 145 16.800 8.790 17.383 1.00 0.00 H ATOM 1215 HH21 ARG A 145 16.758 7.621 16.014 1.00 0.00 H ATOM 1216 H ARG A 145 14.325 11.795 9.843 1.00 0.00 H ATOM 1217 N SER A 146 17.961 10.212 10.287 1.00 25.28 N ATOM 1218 CA SER A 146 18.839 9.609 9.284 1.00 25.23 C ATOM 1219 C SER A 146 19.925 8.716 9.889 1.00 25.12 C ATOM 1220 O SER A 146 20.247 8.820 11.075 1.00 25.10 O ATOM 1221 CB SER A 146 19.479 10.693 8.409 1.00 25.27 C ATOM 1222 OG SER A 146 20.394 11.480 9.153 1.00 25.62 O ATOM 1223 HG SER A 146 20.790 12.169 8.563 1.00 0.00 H ATOM 1224 H SER A 146 18.357 10.478 11.211 1.00 0.00 H ATOM 1225 N GLY A 147 20.476 7.840 9.053 1.00 24.99 N ATOM 1226 CA GLY A 147 21.596 6.978 9.417 1.00 24.80 C ATOM 1227 C GLY A 147 22.401 6.687 8.167 1.00 24.69 C ATOM 1228 O GLY A 147 23.113 7.560 7.666 1.00 24.74 O ATOM 1229 H GLY A 147 20.089 7.766 8.091 1.00 0.00 H ATOM 1230 N SER A 148 22.282 5.463 7.660 1.00 24.54 N ATOM 1231 CA SER A 148 22.844 5.107 6.357 1.00 24.47 C ATOM 1232 C SER A 148 21.795 5.321 5.262 1.00 24.33 C ATOM 1233 O SER A 148 22.081 5.184 4.070 1.00 24.32 O ATOM 1234 CB SER A 148 23.350 3.662 6.355 1.00 24.49 C ATOM 1235 OG SER A 148 22.276 2.744 6.454 1.00 24.85 O ATOM 1236 HG SER A 148 21.782 2.905 7.297 1.00 0.00 H ATOM 1237 H SER A 148 21.775 4.738 8.206 1.00 0.00 H ATOM 1238 N LEU A 149 20.576 5.645 5.692 1.00 24.17 N ATOM 1239 CA LEU A 149 19.481 6.029 4.805 1.00 23.98 C ATOM 1240 C LEU A 149 18.757 7.225 5.420 1.00 23.87 C ATOM 1241 O LEU A 149 19.207 7.773 6.430 1.00 23.84 O ATOM 1242 CB LEU A 149 18.503 4.862 4.609 1.00 23.95 C ATOM 1243 CG LEU A 149 18.974 3.571 3.927 1.00 23.96 C ATOM 1244 CD1 LEU A 149 17.929 2.481 4.098 1.00 23.92 C ATOM 1245 CD2 LEU A 149 19.293 3.783 2.450 1.00 24.00 C ATOM 1246 H LEU A 149 20.394 5.623 6.716 1.00 0.00 H ATOM 1247 N ILE A 150 17.649 7.638 4.810 1.00 23.76 N ATOM 1248 CA ILE A 150 16.761 8.618 5.432 1.00 23.65 C ATOM 1249 C ILE A 150 15.596 7.867 6.071 1.00 23.56 C ATOM 1250 O ILE A 150 14.731 7.334 5.374 1.00 23.58 O ATOM 1251 CB ILE A 150 16.255 9.702 4.430 1.00 23.67 C ATOM 1252 CG1 ILE A 150 17.428 10.418 3.734 1.00 23.69 C ATOM 1253 CG2 ILE A 150 15.328 10.706 5.131 1.00 23.62 C ATOM 1254 CD1 ILE A 150 18.377 11.195 4.663 1.00 23.56 C ATOM 1255 H ILE A 150 17.410 7.256 3.873 1.00 0.00 H ATOM 1256 N ASP A 151 15.600 7.816 7.400 1.00 23.50 N ATOM 1257 CA ASP A 151 14.590 7.082 8.161 1.00 23.46 C ATOM 1258 C ASP A 151 13.255 7.818 8.197 1.00 23.38 C ATOM 1259 O ASP A 151 12.195 7.197 8.099 1.00 23.46 O ATOM 1260 CB ASP A 151 15.079 6.812 9.588 1.00 23.47 C ATOM 1261 CG ASP A 151 16.341 5.968 9.624 1.00 23.71 C ATOM 1262 OD1 ASP A 151 16.251 4.781 10.005 1.00 24.14 O ATOM 1263 OD2 ASP A 151 17.421 6.488 9.266 1.00 23.68 O ATOM 1264 H ASP A 151 16.350 8.317 7.918 1.00 0.00 H ATOM 1265 N ALA A 152 13.319 9.140 8.339 1.00 23.22 N ATOM 1266 CA ALA A 152 12.129 9.981 8.406 1.00 23.02 C ATOM 1267 C ALA A 152 12.433 11.408 7.958 1.00 22.90 C ATOM 1268 O ALA A 152 13.574 11.869 8.059 1.00 22.97 O ATOM 1269 CB ALA A 152 11.556 9.980 9.822 1.00 23.09 C ATOM 1270 H ALA A 152 14.254 9.591 8.405 1.00 0.00 H ATOM 1271 N ILE A 153 11.407 12.096 7.462 1.00 22.62 N ATOM 1272 CA ILE A 153 11.522 13.503 7.081 1.00 22.32 C ATOM 1273 C ILE A 153 10.390 14.340 7.684 1.00 22.17 C ATOM 1274 O ILE A 153 9.258 13.870 7.823 1.00 22.15 O ATOM 1275 CB ILE A 153 11.605 13.691 5.531 1.00 22.37 C ATOM 1276 CG1 ILE A 153 12.058 15.118 5.180 1.00 22.33 C ATOM 1277 CG2 ILE A 153 10.281 13.310 4.845 1.00 22.22 C ATOM 1278 CD1 ILE A 153 12.414 15.337 3.719 1.00 22.27 C ATOM 1279 H ILE A 153 10.492 11.616 7.341 1.00 0.00 H ATOM 1280 N GLY A 154 10.721 15.572 8.057 1.00 22.03 N ATOM 1281 CA GLY A 154 9.749 16.536 8.559 1.00 21.82 C ATOM 1282 C GLY A 154 9.846 17.842 7.795 1.00 21.70 C ATOM 1283 O GLY A 154 10.946 18.328 7.520 1.00 21.66 O ATOM 1284 H GLY A 154 11.718 15.861 7.988 1.00 0.00 H ATOM 1285 N LEU A 155 8.693 18.406 7.449 1.00 21.58 N ATOM 1286 CA LEU A 155 8.638 19.643 6.675 1.00 21.48 C ATOM 1287 C LEU A 155 8.223 20.813 7.557 1.00 21.38 C ATOM 1288 O LEU A 155 7.219 20.735 8.267 1.00 21.41 O ATOM 1289 CB LEU A 155 7.671 19.509 5.486 1.00 21.51 C ATOM 1290 CG LEU A 155 7.890 18.482 4.359 1.00 21.46 C ATOM 1291 CD1 LEU A 155 9.325 18.499 3.829 1.00 21.55 C ATOM 1292 CD2 LEU A 155 7.484 17.073 4.778 1.00 21.24 C ATOM 1293 H LEU A 155 7.803 17.952 7.738 1.00 0.00 H ATOM 1294 N HIS A 156 9.002 21.890 7.509 1.00 21.29 N ATOM 1295 CA HIS A 156 8.720 23.088 8.297 1.00 21.21 C ATOM 1296 C HIS A 156 8.329 24.256 7.399 1.00 21.04 C ATOM 1297 O HIS A 156 9.089 24.651 6.512 1.00 21.07 O ATOM 1298 CB HIS A 156 9.924 23.469 9.157 1.00 21.26 C ATOM 1299 CG HIS A 156 10.297 22.438 10.176 1.00 21.56 C ATOM 1300 ND1 HIS A 156 9.974 22.560 11.511 1.00 21.89 N ATOM 1301 CD2 HIS A 156 10.982 21.275 10.060 1.00 21.77 C ATOM 1302 CE1 HIS A 156 10.440 21.516 12.173 1.00 21.91 C ATOM 1303 NE2 HIS A 156 11.053 20.720 11.315 1.00 21.91 N ATOM 1304 H HIS A 156 9.838 21.879 6.891 1.00 0.00 H ATOM 1305 N TRP A 157 7.142 24.803 7.641 1.00 20.91 N ATOM 1306 CA TRP A 157 6.606 25.895 6.831 1.00 20.86 C ATOM 1307 C TRP A 157 6.643 27.215 7.593 1.00 20.90 C ATOM 1308 O TRP A 157 6.415 27.244 8.802 1.00 20.94 O ATOM 1309 CB TRP A 157 5.165 25.593 6.402 1.00 20.78 C ATOM 1310 CG TRP A 157 4.942 24.191 5.909 1.00 20.61 C ATOM 1311 CD1 TRP A 157 4.557 23.113 6.655 1.00 20.55 C ATOM 1312 CD2 TRP A 157 5.082 23.718 4.563 1.00 20.50 C ATOM 1313 NE1 TRP A 157 4.454 21.997 5.859 1.00 20.63 N ATOM 1314 CE2 TRP A 157 4.770 22.340 4.570 1.00 20.62 C ATOM 1315 CE3 TRP A 157 5.443 24.324 3.352 1.00 20.50 C ATOM 1316 CZ2 TRP A 157 4.807 21.556 3.411 1.00 20.62 C ATOM 1317 CZ3 TRP A 157 5.481 23.544 2.199 1.00 20.57 C ATOM 1318 CH2 TRP A 157 5.164 22.174 2.239 1.00 20.58 C ATOM 1319 HE1 TRP A 157 4.181 21.047 6.182 1.00 0.00 H ATOM 1320 H TRP A 157 6.575 24.441 8.434 1.00 0.00 H ATOM 1321 N ASP A 158 6.934 28.300 6.877 1.00 20.99 N ATOM 1322 CA ASP A 158 6.905 29.652 7.440 1.00 21.13 C ATOM 1323 C ASP A 158 6.857 30.706 6.328 1.00 21.22 C ATOM 1324 O ASP A 158 6.936 30.374 5.141 1.00 21.23 O ATOM 1325 CB ASP A 158 8.116 29.889 8.355 1.00 21.15 C ATOM 1326 CG ASP A 158 7.792 30.790 9.544 1.00 21.32 C ATOM 1327 OD1 ASP A 158 6.931 31.687 9.418 1.00 21.51 O ATOM 1328 OD2 ASP A 158 8.409 30.601 10.613 1.00 21.63 O ATOM 1329 H ASP A 158 7.193 28.182 5.877 1.00 0.00 H ATOM 1330 N VAL A 159 6.715 31.972 6.718 1.00 21.35 N ATOM 1331 CA VAL A 159 6.715 33.090 5.769 1.00 21.53 C ATOM 1332 C VAL A 159 8.091 33.296 5.128 1.00 21.59 C ATOM 1333 O VAL A 159 9.127 32.955 5.707 1.00 21.60 O ATOM 1334 CB VAL A 159 6.231 34.417 6.418 1.00 21.53 C ATOM 1335 CG1 VAL A 159 4.725 34.381 6.659 1.00 21.70 C ATOM 1336 CG2 VAL A 159 6.989 34.709 7.716 1.00 21.56 C ATOM 1337 OXT VAL A 159 8.193 33.805 4.010 1.00 21.58 O ATOM 1338 H VAL A 159 6.600 32.175 7.732 1.00 0.00 H TER 1339 VAL A 159 HETATM 1340 O HOH 1 7.518 24.648 13.286 1.00 31.83 O HETATM 1341 O HOH 2 2.005 23.194 13.288 1.00 15.48 O HETATM 1342 O HOH 3 1.785 16.479 9.941 1.00 18.57 O HETATM 1343 O HOH 4 11.301 15.822 11.816 1.00 26.16 O HETATM 1344 O HOH 5 2.350 27.651 7.710 1.00 31.73 O HETATM 1345 O HOH 6 18.167 11.074 18.093 1.00 31.87 O HETATM 1346 O HOH 7 21.144 18.402 12.724 1.00 23.86 O HETATM 1347 O HOH 8 19.707 23.100 13.072 1.00 21.18 O HETATM 1348 O HOH 9 24.035 22.042 7.999 1.00 17.76 O HETATM 1349 O HOH 10 12.764 22.118 15.062 1.00 19.16 O HETATM 1350 O HOH 11 16.343 24.107 17.407 1.00 22.36 O HETATM 1351 O HOH 12 19.432 35.620 3.164 1.00 23.73 O HETATM 1352 O HOH 13 14.673 28.815 3.933 1.00 20.76 O HETATM 1353 O HOH 14 12.856 28.573 1.598 1.00 13.58 O HETATM 1354 O HOH 15 12.745 28.863 -1.668 1.00 13.10 O HETATM 1355 O HOH 16 0.160 18.977 6.495 1.00 19.57 O HETATM 1356 O HOH 17 29.198 7.962 -2.390 1.00 24.03 O HETATM 1357 O HOH 18 23.951 3.981 2.671 1.00 24.90 O HETATM 1358 O HOH 19 22.152 0.910 1.746 1.00 12.61 O HETATM 1359 O HOH 20 14.689 9.317 -8.685 1.00 10.82 O HETATM 1360 O HOH 21 8.250 32.302 -3.792 1.00 19.19 O HETATM 1361 O HOH 22 4.304 11.319 -3.922 1.00 26.00 O HETATM 1362 O HOH 23 9.029 -6.823 8.687 1.00 17.07 O HETATM 1363 O HOH 24 13.869 14.599 13.980 1.00 23.37 O HETATM 1364 O HOH 25 19.000 21.875 -12.258 1.00 28.76 O HETATM 1365 O HOH 26 23.647 10.154 8.363 1.00 41.31 O HETATM 1366 O HOH 27 -0.929 12.574 4.456 1.00 8.18 O HETATM 1367 O HOH 28 12.527 33.212 -2.567 1.00 14.35 O HETATM 1368 O HOH 29 28.657 31.509 -1.929 1.00 42.98 O HETATM 1369 O HOH 30 3.237 0.151 -2.008 1.00 20.55 O HETATM 1370 O HOH 31 0.328 2.163 2.852 1.00 20.97 O HETATM 1371 O HOH 32 9.369 26.026 14.748 1.00 21.03 O HETATM 1372 O HOH 33 23.080 26.229 5.012 1.00 24.62 O HETATM 1373 O HOH 34 12.702 24.855 -15.379 1.00 29.27 O HETATM 1374 O HOH 35 0.640 25.218 -0.557 1.00 15.85 O HETATM 1375 O HOH 36 2.791 0.409 -4.702 1.00 19.13 O HETATM 1376 O HOH 37 23.350 29.115 9.880 1.00 23.92 O HETATM 1377 O HOH 38 23.640 32.810 1.704 1.00 31.48 O HETATM 1378 O HOH 39 6.874 -1.489 0.798 1.00 26.67 O HETATM 1379 O HOH 40 -1.390 36.850 6.016 1.00 2.00 O HETATM 1380 O HOH 41 14.463 13.844 -11.022 1.00 26.08 O HETATM 1381 O HOH 42 27.055 32.310 9.051 1.00 20.54 O HETATM 1382 O HOH 43 11.451 7.725 17.247 1.00 26.86 O HETATM 1383 O HOH 44 22.776 35.283 10.027 1.00 20.14 O HETATM 1384 O HOH 45 11.117 26.907 -0.575 1.00 26.79 O HETATM 1385 O HOH 46 8.969 4.224 -9.248 1.00 20.40 O HETATM 1386 O HOH 47 22.018 5.636 13.694 1.00 32.11 O HETATM 1387 O HOH 48 16.504 -4.873 -6.905 1.00 30.55 O HETATM 1388 O HOH 49 1.685 9.011 7.013 1.00 19.70 O HETATM 1389 O HOH 50 0.857 26.818 13.854 1.00 39.48 O HETATM 1390 O HOH 51 22.800 -4.335 12.518 1.00 23.23 O HETATM 1391 N THR A 52 23.805 -0.900 7.180 1.00 0.23 N HETATM 1392 CA THR A 52 23.593 -0.065 8.353 1.00 0.05 C HETATM 1393 C THR A 52 24.256 -0.674 9.560 1.00 0.09 C HETATM 1394 O THR A 52 24.219 -1.915 9.718 1.00 -0.56 O HETATM 1395 OXT THR A 52 24.827 0.098 10.362 1.00 -0.56 O HETATM 1396 CB THR A 52 22.095 0.200 8.593 1.00 0.11 C HETATM 1397 OG1 THR A 52 21.846 0.760 9.891 1.00 -0.34 O HETATM 1398 C1 THR A 52 21.932 2.193 9.967 1.00 0.19 C HETATM 1399 C2 THR A 52 21.701 2.656 11.410 1.00 0.13 C HETATM 1400 C3 THR A 52 20.221 2.607 11.806 1.00 0.11 C HETATM 1401 C4 THR A 52 19.312 3.260 10.763 1.00 0.11 C HETATM 1402 C5 THR A 52 19.627 2.753 9.352 1.00 0.11 C HETATM 1403 C6 THR A 52 18.848 3.516 8.284 1.00 0.07 C HETATM 1404 O6 THR A 52 19.385 4.832 8.117 1.00 -0.39 O HETATM 1405 H THR A 52 19.326 5.304 8.940 1.00 0.21 H HETATM 1406 H THR A 52 17.794 3.591 8.589 1.00 0.06 H HETATM 1407 H THR A 52 18.916 2.974 7.330 1.00 0.06 H HETATM 1408 O5 THR A 52 21.029 2.857 9.061 1.00 -0.34 O HETATM 1409 H THR A 52 19.337 1.693 9.302 1.00 0.06 H HETATM 1410 O4 THR A 52 17.947 2.973 11.091 1.00 -0.39 O HETATM 1411 H THR A 52 17.375 3.405 10.467 1.00 0.21 H HETATM 1412 H THR A 52 19.468 4.349 10.788 1.00 0.06 H HETATM 1413 O3 THR A 52 20.032 3.246 13.075 1.00 -0.39 O HETATM 1414 H THR A 52 20.248 4.168 12.999 1.00 0.21 H HETATM 1415 H THR A 52 19.929 1.550 11.899 1.00 0.06 H HETATM 1416 O2 THR A 52 22.206 3.988 11.566 1.00 -0.38 O HETATM 1417 H THR A 52 22.116 4.256 12.473 1.00 0.21 H HETATM 1418 H THR A 52 22.258 1.986 12.081 1.00 0.07 H HETATM 1419 H THR A 52 22.954 2.479 9.679 1.00 0.09 H HETATM 1420 CG2 THR A 52 21.229 -1.050 8.432 1.00 -0.03 C HETATM 1421 H THR A 52 20.175 -0.792 8.616 1.00 0.03 H HETATM 1422 H THR A 52 21.551 -1.815 9.154 1.00 0.03 H HETATM 1423 H THR A 52 21.337 -1.442 7.410 1.00 0.03 H HETATM 1424 H THR A 52 21.772 0.932 7.839 1.00 0.07 H HETATM 1425 H THR A 52 24.073 0.906 8.164 1.00 0.10 H HETATM 1426 H THR A 52 24.793 -1.054 7.051 1.00 0.20 H HETATM 1427 H THR A 52 23.428 -0.439 6.367 1.00 0.20 H HETATM 1428 H THR A 52 23.341 -1.785 7.309 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1391 1392 1426 1427 1428 CONECT 1392 1391 1393 1396 1425 CONECT 1393 1392 1394 1395 CONECT 1394 1393 CONECT 1395 1393 CONECT 1396 1392 1397 1420 1424 CONECT 1397 1396 1398 CONECT 1398 1397 1399 1408 1419 CONECT 1399 1398 1400 1416 1418 CONECT 1400 1399 1401 1413 1415 CONECT 1401 1400 1402 1410 1412 CONECT 1402 1401 1403 1408 1409 CONECT 1403 1402 1404 1406 1407 CONECT 1404 1403 1405 CONECT 1405 1404 CONECT 1406 1403 CONECT 1407 1403 CONECT 1408 1398 1402 CONECT 1409 1402 CONECT 1410 1401 1411 CONECT 1411 1410 CONECT 1412 1401 CONECT 1413 1400 1414 CONECT 1414 1413 CONECT 1415 1400 CONECT 1416 1399 1417 CONECT 1417 1416 CONECT 1418 1399 CONECT 1419 1398 CONECT 1420 1396 1421 1422 1423 CONECT 1421 1420 CONECT 1422 1420 CONECT 1423 1420 CONECT 1424 1396 CONECT 1425 1392 CONECT 1426 1391 CONECT 1427 1391 CONECT 1428 1391 MASTER 0 0 0 0 0 0 0 0 1427 1 42 11 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 3vzg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
11gs
RCSB PDB
PDBbind
2-mer
1b2m
RCSB PDB
PDBbind
2-mer
1e55
RCSB PDB
PDBbind
2-mer
1eef
RCSB PDB
PDBbind
2-mer
1fh7
RCSB PDB
PDBbind
2-mer
1fh8
RCSB PDB
PDBbind
2-mer
1fh9
RCSB PDB
PDBbind
2-mer
1fhd
RCSB PDB
PDBbind
2-mer
1ocn
RCSB PDB
PDBbind
2-mer
1orw
RCSB PDB
PDBbind
2-mer
1y3n
RCSB PDB
PDBbind
2-mer
2igv
RCSB PDB
PDBbind
2-mer
2igw
RCSB PDB
PDBbind
2-mer
2r1x
RCSB PDB
PDBbind
2-mer
2r1y
RCSB PDB
PDBbind
2-mer
2r23
RCSB PDB
PDBbind
2-mer
2rkm
RCSB PDB
PDBbind
2-mer
2rok
RCSB PDB
PDBbind
2-mer
2tpi
RCSB PDB
PDBbind
2-mer
2vl1
RCSB PDB
PDBbind
2-mer
2wly
RCSB PDB
PDBbind
2-mer
2wlz
RCSB PDB
PDBbind
2-mer
2wyn
RCSB PDB
PDBbind
2-mer
3bbb
RCSB PDB
PDBbind
2-mer
3bpc
RCSB PDB
PDBbind
2-mer
3gss
RCSB PDB
PDBbind
2-mer
3ijy
RCSB PDB
PDBbind
2-mer
3ikc
RCSB PDB
PDBbind
2-mer
3ng4
RCSB PDB
PDBbind
2-mer
3oy8
RCSB PDB
PDBbind
2-mer
3qlb
RCSB PDB
PDBbind
2-mer
3rg2
RCSB PDB
PDBbind
2-mer
4cd4
RCSB PDB
PDBbind
2-mer
4cd5
RCSB PDB
PDBbind
2-mer
4cd6
RCSB PDB
PDBbind
2-mer
4cd8
RCSB PDB
PDBbind
2-mer
4gzx
RCSB PDB
PDBbind
2-mer
4jjf
RCSB PDB
PDBbind
2-mer
4jjg
RCSB PDB
PDBbind
2-mer
4k3l
RCSB PDB
PDBbind
2-mer
4lk7
RCSB PDB
PDBbind
2-mer
4lkk
RCSB PDB
PDBbind
2-mer
4nku
RCSB PDB
PDBbind
2-mer
4oak
RCSB PDB
PDBbind
2-mer
4oel
RCSB PDB
PDBbind
2-mer
4oem
RCSB PDB
PDBbind
2-mer
4qfl
RCSB PDB
PDBbind
2-mer
4qfn
RCSB PDB
PDBbind
2-mer
4qfo
RCSB PDB
PDBbind
2-mer
4qfp
RCSB PDB
PDBbind
2-mer
4v27
RCSB PDB
PDBbind
2-mer
4x6h
RCSB PDB
PDBbind
2-mer
4yw2
RCSB PDB
PDBbind
2-mer
5ggo
RCSB PDB
PDBbind
2-mer
5gub
RCSB PDB
PDBbind
2-mer
5gx6
RCSB PDB
PDBbind
2-mer
5gx7
RCSB PDB
PDBbind
2-mer
5j41
RCSB PDB
PDBbind
2-mer
5l7f
RCSB PDB
PDBbind
2-mer
5lne
RCSB PDB
PDBbind
2-mer
5lyr
RCSB PDB
PDBbind
2-mer
5m17
RCSB PDB
PDBbind
2-mer
5m1z
RCSB PDB
PDBbind
2-mer
5m5d
RCSB PDB
PDBbind
2-mer
5m77
RCSB PDB
PDBbind
2-mer
5o58
RCSB PDB
PDBbind
2-mer
5oxk
RCSB PDB
PDBbind
2-mer
5oxl
RCSB PDB
PDBbind
2-mer
5oxm
RCSB PDB
PDBbind
2-mer
5oxn
RCSB PDB
PDBbind
2-mer
5vkm
RCSB PDB
PDBbind
2-mer
5xs8
RCSB PDB
PDBbind
2-mer
6fam
RCSB PDB
PDBbind
2-mer
6hmg
RCSB PDB
PDBbind
2-mer
6p7q
RCSB PDB
PDBbind
2-mer
6kdi
RCSB PDB
PDBbind
2-mer
6idg
RCSB PDB
PDBbind
2-mer
6a87
RCSB PDB
PDBbind
2-mer
6inz
RCSB PDB
PDBbind
2-mer
Entry Information
PDB ID
3vzg
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human pancreatic secretory protein ZG16p
Ligand Name
2-mer
EC.Number
E.C.-.-.-.-
Resolution
2.7(Å)
Affinity (Kd/Ki/IC50)
Kd=19mM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Biol.Chem. Vol. 289: pp. 16954-16965
Ligand Properties
Formula
C
1
0
H
2
0
NO
8
Molecular Weight
282.268
Exact Mass
282.119
No. of atoms
39
No. of bonds
39
Polar Surface Area
164.32
LOGP Value
-4.33 (
Computed with XLOGP3
)
-4.11 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 1
Canonical SMILES
OC[C@H]1O[C@H](O[C@@H]([C@@H](C(=O)O)[NH3+])C)[C@H]([C@H]([C@@H]1O)O)O
InChI String
InChI=1S/C10H19NO8/c1-3(5(11)9(16)17)18-10-8(15)7(14)6(13)4(2-12)19-10/h3-8,10,12-15H,2,11H2,1H3,(H,16,17)/p+1/t3-,4-,5+,6-,7+,8+,10+/m1/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):
O60844
Entrez Gene ID
NCBI Entrez Gene ID:
653808
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓