Browse entries in the PDBbind-CN Database
HEADER 3BL2_COMPLEX COMPND 3BL2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 131 LYS SER GLY THR TYR TRP ALA THR LEU ILE THR ALA PHE SEQRES 2 A 131 LEU LYS THR VAL SER LYS VAL GLU GLU LEU ASP CYS VAL SEQRES 3 A 131 ASP SER ALA VAL LEU VAL ASP VAL SER LYS ILE ILE THR SEQRES 4 A 131 LEU THR GLN GLU PHE ARG ARG HIS TYR ASP SER VAL TYR SEQRES 5 A 131 ARG ALA ASP TYR GLY PRO ALA LEU LYS ASN TRP LYS ARG SEQRES 6 A 131 ASP LEU SER LYS LEU PHE THR SER LEU PHE VAL ASP VAL SEQRES 7 A 131 ILE ASN SER GLY ARG ILE VAL GLY PHE PHE ASP VAL GLY SEQRES 8 A 131 ARG TYR VAL CYS GLU GLU VAL LEU CYS PRO GLY SER TRP SEQRES 9 A 131 THR GLU ASP HIS GLU LEU LEU ASN ASP CYS MET THR HIS SEQRES 10 A 131 PHE PHE ILE GLU ASN ASN LEU MET ASN HIS PHE PRO LEU SEQRES 11 A 131 GLU HET THR A 159 318 ATOM 1 N LYS A 5 10.031 6.835 4.116 1.00 46.86 N ATOM 2 CA LYS A 5 9.875 6.522 2.665 1.00 46.52 C ATOM 3 C LYS A 5 8.576 7.060 2.072 1.00 45.34 C ATOM 4 O LYS A 5 7.870 7.861 2.693 1.00 46.04 O ATOM 5 CB LYS A 5 9.938 5.012 2.441 1.00 47.46 C ATOM 6 CG LYS A 5 11.313 4.417 2.649 1.00 49.92 C ATOM 7 CD LYS A 5 11.279 2.895 2.576 1.00 51.06 C ATOM 8 CE LYS A 5 10.411 2.312 3.681 1.00 51.60 C ATOM 9 NZ LYS A 5 10.561 0.832 3.793 1.00 54.03 N ATOM 10 HA LYS A 5 10.699 7.020 2.154 1.00 0.00 H ATOM 11 HB2 LYS A 5 9.248 4.533 3.136 1.00 0.00 H ATOM 12 HB3 LYS A 5 9.625 4.803 1.418 1.00 0.00 H ATOM 13 HG2 LYS A 5 11.983 4.794 1.877 1.00 0.00 H ATOM 14 HG3 LYS A 5 11.685 4.717 3.629 1.00 0.00 H ATOM 15 HD2 LYS A 5 10.875 2.594 1.609 1.00 0.00 H ATOM 16 HD3 LYS A 5 12.294 2.511 2.680 1.00 0.00 H ATOM 17 HE2 LYS A 5 9.368 2.544 3.468 1.00 0.00 H ATOM 18 HE3 LYS A 5 10.697 2.767 4.629 1.00 0.00 H ATOM 19 HZ1 LYS A 5 10.283 0.388 2.895 1.00 0.00 H ATOM 20 HZ2 LYS A 5 11.553 0.600 4.004 1.00 0.00 H ATOM 21 HZ3 LYS A 5 9.951 0.480 4.558 1.00 0.00 H ATOM 22 HN3 LYS A 5 9.243 6.412 4.647 1.00 0.00 H ATOM 23 HN2 LYS A 5 10.027 7.866 4.249 1.00 0.00 H ATOM 24 HN1 LYS A 5 10.931 6.443 4.459 1.00 0.00 H ATOM 25 N SER A 6 8.278 6.602 0.859 1.00 42.67 N ATOM 26 CA SER A 6 7.084 6.993 0.113 1.00 39.48 C ATOM 27 C SER A 6 5.777 6.852 0.905 1.00 36.79 C ATOM 28 O SER A 6 5.586 5.883 1.642 1.00 36.34 O ATOM 29 CB SER A 6 7.003 6.149 -1.163 1.00 40.19 C ATOM 30 OG SER A 6 5.838 6.439 -1.905 1.00 43.12 O ATOM 31 HA SER A 6 7.186 8.054 -0.113 1.00 0.00 H ATOM 32 HB2 SER A 6 6.995 5.094 -0.890 1.00 0.00 H ATOM 33 HB3 SER A 6 7.877 6.356 -1.781 1.00 0.00 H ATOM 34 HG SER A 6 5.841 7.395 -2.162 1.00 0.00 H ATOM 35 H SER A 6 8.933 5.926 0.416 1.00 0.00 H ATOM 36 N GLY A 7 4.881 7.824 0.748 1.00 34.09 N ATOM 37 CA GLY A 7 3.597 7.774 1.427 1.00 29.66 C ATOM 38 C GLY A 7 2.778 6.606 0.901 1.00 28.01 C ATOM 39 O GLY A 7 2.014 5.992 1.647 1.00 26.78 O ATOM 40 HA3 GLY A 7 3.057 8.704 1.248 1.00 0.00 H ATOM 41 HA2 GLY A 7 3.759 7.649 2.498 1.00 0.00 H ATOM 42 H GLY A 7 5.103 8.631 0.130 1.00 0.00 H ATOM 43 N THR A 8 2.933 6.302 -0.389 1.00 25.67 N ATOM 44 CA THR A 8 2.232 5.176 -1.014 1.00 25.53 C ATOM 45 C THR A 8 2.764 3.869 -0.426 1.00 22.88 C ATOM 46 O THR A 8 2.011 2.934 -0.186 1.00 21.93 O ATOM 47 CB THR A 8 2.444 5.139 -2.555 1.00 26.24 C ATOM 48 OG1 THR A 8 1.637 6.144 -3.181 1.00 26.84 O ATOM 49 CG2 THR A 8 2.062 3.769 -3.122 1.00 28.56 C ATOM 50 HA THR A 8 1.167 5.299 -0.815 1.00 0.00 H ATOM 51 HB THR A 8 3.498 5.327 -2.758 1.00 0.00 H ATOM 52 HG1 THR A 8 1.895 7.035 -2.836 1.00 0.00 H ATOM 53 HG23 THR A 8 2.672 2.999 -2.650 1.00 0.00 H ATOM 54 HG21 THR A 8 1.009 3.574 -2.920 1.00 0.00 H ATOM 55 HG22 THR A 8 2.234 3.762 -4.198 1.00 0.00 H ATOM 56 H THR A 8 3.571 6.882 -0.970 1.00 0.00 H ATOM 57 N TYR A 9 4.073 3.817 -0.204 1.00 21.94 N ATOM 58 CA TYR A 9 4.695 2.640 0.370 1.00 20.26 C ATOM 59 C TYR A 9 4.088 2.326 1.733 1.00 19.55 C ATOM 60 O TYR A 9 3.775 1.176 2.033 1.00 18.51 O ATOM 61 CB TYR A 9 6.199 2.845 0.524 1.00 19.93 C ATOM 62 CG TYR A 9 6.868 1.673 1.185 1.00 23.71 C ATOM 63 CD1 TYR A 9 6.898 1.557 2.579 1.00 25.36 C ATOM 64 CD2 TYR A 9 7.399 0.632 0.420 1.00 24.97 C ATOM 65 CE1 TYR A 9 7.433 0.428 3.194 1.00 27.44 C ATOM 66 CE2 TYR A 9 7.938 -0.499 1.020 1.00 26.13 C ATOM 67 CZ TYR A 9 7.950 -0.597 2.403 1.00 28.23 C ATOM 68 OH TYR A 9 8.460 -1.725 2.994 1.00 30.45 O ATOM 69 HA TYR A 9 4.516 1.804 -0.306 1.00 0.00 H ATOM 70 HB3 TYR A 9 6.372 3.735 1.129 1.00 0.00 H ATOM 71 HB2 TYR A 9 6.637 2.988 -0.464 1.00 0.00 H ATOM 72 HD2 TYR A 9 7.390 0.708 -0.667 1.00 0.00 H ATOM 73 HE2 TYR A 9 8.348 -1.303 0.409 1.00 0.00 H ATOM 74 HE1 TYR A 9 7.447 0.347 4.281 1.00 0.00 H ATOM 75 HD1 TYR A 9 6.496 2.363 3.193 1.00 0.00 H ATOM 76 HH TYR A 9 8.396 -1.638 3.978 1.00 0.00 H ATOM 77 H TYR A 9 4.664 4.638 -0.447 1.00 0.00 H ATOM 78 N TRP A 10 3.931 3.352 2.561 1.00 19.07 N ATOM 79 CA TRP A 10 3.363 3.156 3.884 1.00 19.87 C ATOM 80 C TRP A 10 1.881 2.790 3.859 1.00 17.97 C ATOM 81 O TRP A 10 1.427 2.027 4.705 1.00 18.86 O ATOM 82 CB TRP A 10 3.613 4.388 4.755 1.00 20.97 C ATOM 83 CG TRP A 10 5.023 4.414 5.277 1.00 23.34 C ATOM 84 CD1 TRP A 10 6.078 5.145 4.789 1.00 22.60 C ATOM 85 CD2 TRP A 10 5.550 3.611 6.338 1.00 23.68 C ATOM 86 NE1 TRP A 10 7.224 4.841 5.481 1.00 23.25 N ATOM 87 CE2 TRP A 10 6.931 3.903 6.437 1.00 25.46 C ATOM 88 CE3 TRP A 10 4.989 2.667 7.216 1.00 25.14 C ATOM 89 CZ2 TRP A 10 7.764 3.283 7.384 1.00 27.72 C ATOM 90 CZ3 TRP A 10 5.815 2.050 8.158 1.00 26.27 C ATOM 91 CH2 TRP A 10 7.189 2.362 8.232 1.00 28.00 C ATOM 92 HA TRP A 10 3.873 2.298 4.322 1.00 0.00 H ATOM 93 HB2 TRP A 10 3.438 5.285 4.160 1.00 0.00 H ATOM 94 HB3 TRP A 10 2.923 4.373 5.598 1.00 0.00 H ATOM 95 HE1 TRP A 10 8.162 5.255 5.308 1.00 0.00 H ATOM 96 HD1 TRP A 10 6.015 5.863 3.971 1.00 0.00 H ATOM 97 HZ2 TRP A 10 8.826 3.522 7.445 1.00 0.00 H ATOM 98 HH2 TRP A 10 7.809 1.863 8.977 1.00 0.00 H ATOM 99 HZ3 TRP A 10 5.392 1.317 8.846 1.00 0.00 H ATOM 100 HE3 TRP A 10 3.928 2.421 7.162 1.00 0.00 H ATOM 101 H TRP A 10 4.217 4.305 2.260 1.00 0.00 H ATOM 102 N ALA A 11 1.136 3.318 2.890 1.00 16.94 N ATOM 103 CA ALA A 11 -0.287 2.995 2.758 1.00 16.27 C ATOM 104 C ALA A 11 -0.389 1.510 2.414 1.00 15.29 C ATOM 105 O ALA A 11 -1.236 0.780 2.941 1.00 12.82 O ATOM 106 CB ALA A 11 -0.924 3.830 1.651 1.00 15.63 C ATOM 107 HA ALA A 11 -0.813 3.216 3.687 1.00 0.00 H ATOM 108 HB1 ALA A 11 -0.821 4.888 1.891 1.00 0.00 H ATOM 109 HB2 ALA A 11 -0.423 3.620 0.706 1.00 0.00 H ATOM 110 HB3 ALA A 11 -1.981 3.576 1.568 1.00 0.00 H ATOM 111 H ALA A 11 1.574 3.974 2.212 1.00 0.00 H ATOM 112 N THR A 12 0.502 1.080 1.528 1.00 14.28 N ATOM 113 CA THR A 12 0.583 -0.301 1.079 1.00 15.47 C ATOM 114 C THR A 12 0.993 -1.216 2.232 1.00 17.68 C ATOM 115 O THR A 12 0.450 -2.308 2.406 1.00 19.74 O ATOM 116 CB THR A 12 1.627 -0.420 -0.049 1.00 15.40 C ATOM 117 OG1 THR A 12 1.193 0.345 -1.177 1.00 16.66 O ATOM 118 CG2 THR A 12 1.831 -1.862 -0.456 1.00 15.57 C ATOM 119 HA THR A 12 -0.398 -0.603 0.713 1.00 0.00 H ATOM 120 HB THR A 12 2.579 -0.036 0.318 1.00 0.00 H ATOM 121 HG1 THR A 12 1.096 1.294 -0.913 1.00 0.00 H ATOM 122 HG23 THR A 12 2.161 -2.439 0.408 1.00 0.00 H ATOM 123 HG21 THR A 12 0.891 -2.269 -0.829 1.00 0.00 H ATOM 124 HG22 THR A 12 2.587 -1.914 -1.240 1.00 0.00 H ATOM 125 H THR A 12 1.177 1.767 1.135 1.00 0.00 H ATOM 126 N LEU A 13 1.959 -0.755 3.020 1.00 18.82 N ATOM 127 CA LEU A 13 2.463 -1.514 4.153 1.00 16.31 C ATOM 128 C LEU A 13 1.399 -1.716 5.222 1.00 15.82 C ATOM 129 O LEU A 13 1.249 -2.815 5.762 1.00 13.55 O ATOM 130 CB LEU A 13 3.671 -0.797 4.756 1.00 16.40 C ATOM 131 CG LEU A 13 4.286 -1.349 6.047 1.00 19.10 C ATOM 132 CD1 LEU A 13 4.520 -2.854 5.915 1.00 18.41 C ATOM 133 CD2 LEU A 13 5.611 -0.620 6.321 1.00 19.92 C ATOM 134 HA LEU A 13 2.756 -2.499 3.789 1.00 0.00 H ATOM 135 HB2 LEU A 13 4.456 -0.799 4.000 1.00 0.00 H ATOM 136 HB3 LEU A 13 3.367 0.230 4.959 1.00 0.00 H ATOM 137 HG LEU A 13 3.604 -1.182 6.881 1.00 0.00 H ATOM 138 HD21 LEU A 13 6.294 -0.785 5.488 1.00 0.00 H ATOM 139 HD22 LEU A 13 5.421 0.448 6.431 1.00 0.00 H ATOM 140 HD23 LEU A 13 6.055 -1.008 7.238 1.00 0.00 H ATOM 141 HD11 LEU A 13 3.569 -3.353 5.729 1.00 0.00 H ATOM 142 HD12 LEU A 13 5.200 -3.043 5.084 1.00 0.00 H ATOM 143 HD13 LEU A 13 4.957 -3.235 6.838 1.00 0.00 H ATOM 144 H LEU A 13 2.368 0.180 2.819 1.00 0.00 H ATOM 145 N ILE A 14 0.670 -0.652 5.536 1.00 14.49 N ATOM 146 CA ILE A 14 -0.366 -0.723 6.558 1.00 15.95 C ATOM 147 C ILE A 14 -1.427 -1.755 6.185 1.00 15.72 C ATOM 148 O ILE A 14 -1.739 -2.644 6.975 1.00 16.68 O ATOM 149 CB ILE A 14 -1.005 0.680 6.792 1.00 15.44 C ATOM 150 CG1 ILE A 14 0.047 1.611 7.416 1.00 16.61 C ATOM 151 CG2 ILE A 14 -2.230 0.570 7.691 1.00 11.82 C ATOM 152 CD1 ILE A 14 -0.403 3.028 7.627 1.00 16.83 C ATOM 153 HA ILE A 14 0.096 -1.043 7.492 1.00 0.00 H ATOM 154 HB ILE A 14 -1.332 1.093 5.838 1.00 0.00 H ATOM 155 HG12 ILE A 14 0.332 1.199 8.384 1.00 0.00 H ATOM 156 HG13 ILE A 14 0.917 1.627 6.759 1.00 0.00 H ATOM 157 HD11 ILE A 14 -0.679 3.467 6.668 1.00 0.00 H ATOM 158 HD12 ILE A 14 -1.265 3.039 8.294 1.00 0.00 H ATOM 159 HD13 ILE A 14 0.409 3.604 8.071 1.00 0.00 H ATOM 160 HG21 ILE A 14 -2.968 -0.080 7.220 1.00 0.00 H ATOM 161 HG22 ILE A 14 -1.936 0.151 8.653 1.00 0.00 H ATOM 162 HG23 ILE A 14 -2.659 1.561 7.841 1.00 0.00 H ATOM 163 H ILE A 14 0.841 0.248 5.044 1.00 0.00 H ATOM 164 N THR A 15 -1.953 -1.658 4.969 1.00 16.90 N ATOM 165 CA THR A 15 -2.967 -2.595 4.497 1.00 15.73 C ATOM 166 C THR A 15 -2.451 -4.021 4.553 1.00 15.55 C ATOM 167 O THR A 15 -3.159 -4.921 5.005 1.00 16.32 O ATOM 168 CB THR A 15 -3.371 -2.281 3.047 1.00 16.42 C ATOM 169 OG1 THR A 15 -3.765 -0.910 2.960 1.00 17.45 O ATOM 170 CG2 THR A 15 -4.535 -3.173 2.598 1.00 16.48 C ATOM 171 HA THR A 15 -3.833 -2.490 5.150 1.00 0.00 H ATOM 172 HB THR A 15 -2.518 -2.473 2.396 1.00 0.00 H ATOM 173 HG1 THR A 15 -3.007 -0.332 3.228 1.00 0.00 H ATOM 174 HG23 THR A 15 -4.236 -4.219 2.664 1.00 0.00 H ATOM 175 HG21 THR A 15 -5.395 -2.998 3.244 1.00 0.00 H ATOM 176 HG22 THR A 15 -4.798 -2.933 1.568 1.00 0.00 H ATOM 177 H THR A 15 -1.634 -0.895 4.338 1.00 0.00 H ATOM 178 N ALA A 16 -1.220 -4.220 4.086 1.00 13.44 N ATOM 179 CA ALA A 16 -0.603 -5.543 4.073 1.00 16.29 C ATOM 180 C ALA A 16 -0.478 -6.095 5.491 1.00 17.28 C ATOM 181 O ALA A 16 -0.745 -7.275 5.734 1.00 18.14 O ATOM 182 CB ALA A 16 0.781 -5.480 3.401 1.00 17.58 C ATOM 183 HA ALA A 16 -1.242 -6.214 3.499 1.00 0.00 H ATOM 184 HB1 ALA A 16 0.670 -5.128 2.375 1.00 0.00 H ATOM 185 HB2 ALA A 16 1.421 -4.793 3.955 1.00 0.00 H ATOM 186 HB3 ALA A 16 1.228 -6.474 3.399 1.00 0.00 H ATOM 187 H ALA A 16 -0.682 -3.409 3.720 1.00 0.00 H ATOM 188 N PHE A 17 -0.063 -5.236 6.418 1.00 16.63 N ATOM 189 CA PHE A 17 0.070 -5.612 7.820 1.00 16.25 C ATOM 190 C PHE A 17 -1.295 -6.015 8.395 1.00 16.24 C ATOM 191 O PHE A 17 -1.424 -7.047 9.058 1.00 16.75 O ATOM 192 CB PHE A 17 0.667 -4.441 8.627 1.00 14.69 C ATOM 193 CG PHE A 17 0.491 -4.573 10.124 1.00 13.05 C ATOM 194 CD1 PHE A 17 -0.660 -4.094 10.754 1.00 12.52 C ATOM 195 CD2 PHE A 17 1.448 -5.228 10.897 1.00 10.63 C ATOM 196 CE1 PHE A 17 -0.859 -4.271 12.131 1.00 8.63 C ATOM 197 CE2 PHE A 17 1.253 -5.409 12.269 1.00 10.70 C ATOM 198 CZ PHE A 17 0.099 -4.932 12.885 1.00 9.29 C ATOM 199 HA PHE A 17 0.742 -6.467 7.893 1.00 0.00 H ATOM 200 HB2 PHE A 17 1.734 -4.384 8.411 1.00 0.00 H ATOM 201 HB3 PHE A 17 0.182 -3.520 8.304 1.00 0.00 H ATOM 202 HD2 PHE A 17 2.357 -5.603 10.427 1.00 0.00 H ATOM 203 HE2 PHE A 17 2.009 -5.926 12.860 1.00 0.00 H ATOM 204 HZ PHE A 17 -0.051 -5.077 13.955 1.00 0.00 H ATOM 205 HE1 PHE A 17 -1.763 -3.891 12.607 1.00 0.00 H ATOM 206 HD1 PHE A 17 -1.416 -3.574 10.166 1.00 0.00 H ATOM 207 H PHE A 17 0.174 -4.264 6.133 1.00 0.00 H ATOM 208 N LEU A 18 -2.316 -5.205 8.140 1.00 15.98 N ATOM 209 CA LEU A 18 -3.649 -5.498 8.660 1.00 16.44 C ATOM 210 C LEU A 18 -4.241 -6.772 8.072 1.00 17.62 C ATOM 211 O LEU A 18 -4.903 -7.527 8.772 1.00 17.81 O ATOM 212 CB LEU A 18 -4.592 -4.318 8.404 1.00 16.18 C ATOM 213 CG LEU A 18 -4.268 -3.030 9.170 1.00 17.17 C ATOM 214 CD1 LEU A 18 -5.256 -1.935 8.788 1.00 18.68 C ATOM 215 CD2 LEU A 18 -4.326 -3.298 10.668 1.00 18.81 C ATOM 216 HA LEU A 18 -3.541 -5.656 9.733 1.00 0.00 H ATOM 217 HB2 LEU A 18 -4.563 -4.091 7.338 1.00 0.00 H ATOM 218 HB3 LEU A 18 -5.600 -4.628 8.681 1.00 0.00 H ATOM 219 HG LEU A 18 -3.263 -2.697 8.909 1.00 0.00 H ATOM 220 HD21 LEU A 18 -5.326 -3.638 10.937 1.00 0.00 H ATOM 221 HD22 LEU A 18 -3.598 -4.067 10.927 1.00 0.00 H ATOM 222 HD23 LEU A 18 -4.095 -2.380 11.209 1.00 0.00 H ATOM 223 HD11 LEU A 18 -5.188 -1.743 7.717 1.00 0.00 H ATOM 224 HD12 LEU A 18 -6.267 -2.257 9.037 1.00 0.00 H ATOM 225 HD13 LEU A 18 -5.017 -1.024 9.337 1.00 0.00 H ATOM 226 H LEU A 18 -2.165 -4.353 7.564 1.00 0.00 H ATOM 227 N LYS A 19 -3.993 -7.016 6.788 1.00 19.27 N ATOM 228 CA LYS A 19 -4.519 -8.214 6.135 1.00 20.61 C ATOM 229 C LYS A 19 -3.848 -9.462 6.672 1.00 20.52 C ATOM 230 O LYS A 19 -4.484 -10.508 6.813 1.00 19.28 O ATOM 231 CB LYS A 19 -4.342 -8.126 4.612 1.00 19.31 C ATOM 232 CG LYS A 19 -5.239 -7.058 3.999 1.00 22.46 C ATOM 233 CD LYS A 19 -5.381 -7.160 2.494 1.00 22.17 C ATOM 234 CE LYS A 19 -6.457 -6.187 2.015 1.00 24.08 C ATOM 235 NZ LYS A 19 -6.559 -6.123 0.530 1.00 23.79 N ATOM 236 HA LYS A 19 -5.584 -8.275 6.356 1.00 0.00 H ATOM 237 HB2 LYS A 19 -3.303 -7.884 4.391 1.00 0.00 H ATOM 238 HB3 LYS A 19 -4.591 -9.091 4.171 1.00 0.00 H ATOM 239 HG2 LYS A 19 -6.230 -7.146 4.444 1.00 0.00 H ATOM 240 HG3 LYS A 19 -4.821 -6.080 4.238 1.00 0.00 H ATOM 241 HD2 LYS A 19 -4.430 -6.912 2.022 1.00 0.00 H ATOM 242 HD3 LYS A 19 -5.665 -8.177 2.224 1.00 0.00 H ATOM 243 HE2 LYS A 19 -6.219 -5.192 2.391 1.00 0.00 H ATOM 244 HE3 LYS A 19 -7.419 -6.506 2.417 1.00 0.00 H ATOM 245 HZ1 LYS A 19 -5.649 -5.811 0.134 1.00 0.00 H ATOM 246 HZ2 LYS A 19 -6.795 -7.066 0.159 1.00 0.00 H ATOM 247 HZ3 LYS A 19 -7.304 -5.448 0.264 1.00 0.00 H ATOM 248 H LYS A 19 -3.417 -6.345 6.241 1.00 0.00 H ATOM 249 N THR A 20 -2.561 -9.339 6.983 1.00 19.41 N ATOM 250 CA THR A 20 -1.793 -10.446 7.517 1.00 18.76 C ATOM 251 C THR A 20 -2.255 -10.827 8.916 1.00 20.08 C ATOM 252 O THR A 20 -2.433 -12.004 9.208 1.00 21.46 O ATOM 253 CB THR A 20 -0.305 -10.100 7.563 1.00 17.03 C ATOM 254 OG1 THR A 20 0.141 -9.789 6.236 1.00 17.50 O ATOM 255 CG2 THR A 20 0.497 -11.266 8.112 1.00 13.41 C ATOM 256 HA THR A 20 -1.954 -11.294 6.851 1.00 0.00 H ATOM 257 HB THR A 20 -0.157 -9.242 8.218 1.00 0.00 H ATOM 258 HG1 THR A 20 -0.372 -9.017 5.889 1.00 0.00 H ATOM 259 HG23 THR A 20 0.154 -11.498 9.120 1.00 0.00 H ATOM 260 HG21 THR A 20 0.357 -12.136 7.470 1.00 0.00 H ATOM 261 HG22 THR A 20 1.553 -10.998 8.139 1.00 0.00 H ATOM 262 H THR A 20 -2.092 -8.422 6.839 1.00 0.00 H ATOM 263 N VAL A 21 -2.447 -9.839 9.786 1.00 20.36 N ATOM 264 CA VAL A 21 -2.898 -10.140 11.138 1.00 19.88 C ATOM 265 C VAL A 21 -4.373 -10.540 11.159 1.00 20.33 C ATOM 266 O VAL A 21 -4.849 -11.122 12.133 1.00 20.85 O ATOM 267 CB VAL A 21 -2.662 -8.953 12.113 1.00 16.87 C ATOM 268 CG1 VAL A 21 -1.176 -8.716 12.273 1.00 17.30 C ATOM 269 CG2 VAL A 21 -3.347 -7.711 11.620 1.00 15.35 C ATOM 270 HA VAL A 21 -2.298 -10.984 11.480 1.00 0.00 H ATOM 271 HB VAL A 21 -3.089 -9.204 13.084 1.00 0.00 H ATOM 272 HG11 VAL A 21 -0.707 -9.614 12.675 1.00 0.00 H ATOM 273 HG12 VAL A 21 -0.740 -8.480 11.302 1.00 0.00 H ATOM 274 HG13 VAL A 21 -1.014 -7.883 12.957 1.00 0.00 H ATOM 275 HG21 VAL A 21 -2.952 -7.444 10.640 1.00 0.00 H ATOM 276 HG22 VAL A 21 -4.419 -7.895 11.543 1.00 0.00 H ATOM 277 HG23 VAL A 21 -3.166 -6.896 12.320 1.00 0.00 H ATOM 278 H VAL A 21 -2.275 -8.854 9.501 1.00 0.00 H ATOM 279 N SER A 22 -5.084 -10.232 10.079 1.00 21.33 N ATOM 280 CA SER A 22 -6.502 -10.571 9.957 1.00 24.57 C ATOM 281 C SER A 22 -6.665 -11.970 9.355 1.00 27.12 C ATOM 282 O SER A 22 -7.785 -12.464 9.183 1.00 26.01 O ATOM 283 CB SER A 22 -7.217 -9.553 9.072 1.00 22.98 C ATOM 284 OG SER A 22 -7.285 -8.295 9.705 1.00 23.39 O ATOM 285 HA SER A 22 -6.944 -10.554 10.953 1.00 0.00 H ATOM 286 HB2 SER A 22 -8.228 -9.905 8.868 1.00 0.00 H ATOM 287 HB3 SER A 22 -6.673 -9.451 8.133 1.00 0.00 H ATOM 288 HG SER A 22 -6.368 -7.969 9.889 1.00 0.00 H ATOM 289 H SER A 22 -4.617 -9.734 9.295 1.00 0.00 H ATOM 290 N LYS A 23 -5.532 -12.582 9.023 1.00 27.98 N ATOM 291 CA LYS A 23 -5.491 -13.921 8.457 1.00 30.92 C ATOM 292 C LYS A 23 -6.322 -14.018 7.186 1.00 33.36 C ATOM 293 O LYS A 23 -7.059 -14.980 6.986 1.00 32.52 O ATOM 294 CB LYS A 23 -5.994 -14.926 9.492 1.00 32.53 C ATOM 295 CG LYS A 23 -5.420 -14.707 10.888 1.00 32.63 C ATOM 296 CD LYS A 23 -4.535 -15.854 11.332 1.00 34.82 C ATOM 297 CE LYS A 23 -3.312 -16.000 10.443 1.00 37.30 C ATOM 298 NZ LYS A 23 -2.432 -17.113 10.921 1.00 37.47 N ATOM 299 HA LYS A 23 -4.458 -14.149 8.193 1.00 0.00 H ATOM 300 HB2 LYS A 23 -7.080 -14.847 9.550 1.00 0.00 H ATOM 301 HB3 LYS A 23 -5.721 -15.928 9.160 1.00 0.00 H ATOM 302 HG2 LYS A 23 -4.831 -13.790 10.885 1.00 0.00 H ATOM 303 HG3 LYS A 23 -6.244 -14.606 11.594 1.00 0.00 H ATOM 304 HD2 LYS A 23 -4.208 -15.672 12.356 1.00 0.00 H ATOM 305 HD3 LYS A 23 -5.111 -16.779 11.295 1.00 0.00 H ATOM 306 HE2 LYS A 23 -2.747 -15.068 10.457 1.00 0.00 H ATOM 307 HE3 LYS A 23 -3.635 -16.213 9.424 1.00 0.00 H ATOM 308 HZ1 LYS A 23 -2.118 -16.912 11.892 1.00 0.00 H ATOM 309 HZ2 LYS A 23 -2.965 -18.006 10.906 1.00 0.00 H ATOM 310 HZ3 LYS A 23 -1.604 -17.191 10.296 1.00 0.00 H ATOM 311 H LYS A 23 -4.634 -12.080 9.175 1.00 0.00 H ATOM 312 N VAL A 24 -6.193 -13.018 6.324 1.00 36.92 N ATOM 313 CA VAL A 24 -6.936 -12.995 5.073 1.00 42.09 C ATOM 314 C VAL A 24 -6.392 -14.037 4.091 1.00 46.61 C ATOM 315 O VAL A 24 -5.257 -13.932 3.617 1.00 46.42 O ATOM 316 CB VAL A 24 -6.881 -11.595 4.438 1.00 41.51 C ATOM 317 CG1 VAL A 24 -7.577 -11.601 3.083 1.00 42.94 C ATOM 318 CG2 VAL A 24 -7.549 -10.589 5.371 1.00 41.12 C ATOM 319 HA VAL A 24 -7.974 -13.241 5.297 1.00 0.00 H ATOM 320 HB VAL A 24 -5.840 -11.310 4.287 1.00 0.00 H ATOM 321 HG11 VAL A 24 -7.079 -12.311 2.423 1.00 0.00 H ATOM 322 HG12 VAL A 24 -8.619 -11.893 3.213 1.00 0.00 H ATOM 323 HG13 VAL A 24 -7.529 -10.603 2.647 1.00 0.00 H ATOM 324 HG21 VAL A 24 -8.588 -10.877 5.530 1.00 0.00 H ATOM 325 HG22 VAL A 24 -7.024 -10.577 6.326 1.00 0.00 H ATOM 326 HG23 VAL A 24 -7.510 -9.597 4.921 1.00 0.00 H ATOM 327 H VAL A 24 -5.547 -12.234 6.547 1.00 0.00 H ATOM 328 N GLU A 25 -7.223 -15.036 3.792 1.00 50.63 N ATOM 329 CA GLU A 25 -6.870 -16.133 2.888 1.00 54.31 C ATOM 330 C GLU A 25 -6.265 -15.699 1.559 1.00 55.94 C ATOM 331 O GLU A 25 -5.298 -16.295 1.086 1.00 56.30 O ATOM 332 CB GLU A 25 -8.101 -16.992 2.597 1.00 56.00 C ATOM 333 CG GLU A 25 -8.621 -17.792 3.773 1.00 59.32 C ATOM 334 CD GLU A 25 -9.809 -18.662 3.394 1.00 62.44 C ATOM 335 OE1 GLU A 25 -10.222 -19.504 4.222 1.00 64.03 O ATOM 336 OE2 GLU A 25 -10.330 -18.499 2.267 1.00 63.08 O ATOM 337 HA GLU A 25 -6.099 -16.694 3.417 1.00 0.00 H ATOM 338 HB2 GLU A 25 -8.900 -16.333 2.257 1.00 0.00 H ATOM 339 HB3 GLU A 25 -7.845 -17.690 1.800 1.00 0.00 H ATOM 340 HG2 GLU A 25 -7.821 -18.432 4.144 1.00 0.00 H ATOM 341 HG3 GLU A 25 -8.927 -17.102 4.560 1.00 0.00 H ATOM 342 H GLU A 25 -8.170 -15.036 4.222 1.00 0.00 H ATOM 343 N GLU A 26 -6.845 -14.671 0.954 1.00 57.47 N ATOM 344 CA GLU A 26 -6.365 -14.182 -0.328 1.00 58.64 C ATOM 345 C GLU A 26 -5.101 -13.350 -0.179 1.00 58.90 C ATOM 346 O GLU A 26 -5.089 -12.337 0.518 1.00 59.19 O ATOM 347 CB GLU A 26 -7.461 -13.365 -1.006 1.00 60.54 C ATOM 348 CG GLU A 26 -8.770 -14.126 -1.155 1.00 62.09 C ATOM 349 CD GLU A 26 -9.818 -13.326 -1.891 1.00 63.74 C ATOM 350 OE1 GLU A 26 -10.949 -13.831 -2.061 1.00 65.56 O ATOM 351 OE2 GLU A 26 -9.508 -12.187 -2.298 1.00 64.14 O ATOM 352 HA GLU A 26 -6.114 -15.044 -0.947 1.00 0.00 H ATOM 353 HB2 GLU A 26 -7.646 -12.471 -0.411 1.00 0.00 H ATOM 354 HB3 GLU A 26 -7.114 -13.075 -1.998 1.00 0.00 H ATOM 355 HG2 GLU A 26 -8.580 -15.046 -1.707 1.00 0.00 H ATOM 356 HG3 GLU A 26 -9.148 -14.371 -0.162 1.00 0.00 H ATOM 357 H GLU A 26 -7.658 -14.206 1.405 1.00 0.00 H ATOM 358 N LEU A 27 -4.041 -13.793 -0.850 1.00 59.49 N ATOM 359 CA LEU A 27 -2.741 -13.128 -0.809 1.00 60.46 C ATOM 360 C LEU A 27 -2.613 -11.994 -1.831 1.00 60.70 C ATOM 361 O LEU A 27 -2.501 -12.241 -3.034 1.00 61.44 O ATOM 362 CB LEU A 27 -1.624 -14.153 -1.055 1.00 60.02 C ATOM 363 CG LEU A 27 -1.405 -15.289 -0.047 1.00 59.49 C ATOM 364 CD1 LEU A 27 -2.636 -16.161 0.053 1.00 59.29 C ATOM 365 CD2 LEU A 27 -0.219 -16.125 -0.486 1.00 59.53 C ATOM 366 HA LEU A 27 -2.649 -12.685 0.183 1.00 0.00 H ATOM 367 HB2 LEU A 27 -1.828 -14.619 -2.019 1.00 0.00 H ATOM 368 HB3 LEU A 27 -0.689 -13.596 -1.113 1.00 0.00 H ATOM 369 HG LEU A 27 -1.210 -14.857 0.934 1.00 0.00 H ATOM 370 HD21 LEU A 27 -0.417 -16.544 -1.473 1.00 0.00 H ATOM 371 HD22 LEU A 27 0.671 -15.497 -0.529 1.00 0.00 H ATOM 372 HD23 LEU A 27 -0.061 -16.933 0.229 1.00 0.00 H ATOM 373 HD11 LEU A 27 -3.482 -15.557 0.381 1.00 0.00 H ATOM 374 HD12 LEU A 27 -2.854 -16.593 -0.924 1.00 0.00 H ATOM 375 HD13 LEU A 27 -2.457 -16.959 0.773 1.00 0.00 H ATOM 376 H LEU A 27 -4.142 -14.651 -1.429 1.00 0.00 H ATOM 377 N ASP A 28 -2.623 -10.753 -1.348 1.00 60.38 N ATOM 378 CA ASP A 28 -2.489 -9.588 -2.222 1.00 59.84 C ATOM 379 C ASP A 28 -1.006 -9.281 -2.408 1.00 58.83 C ATOM 380 O ASP A 28 -0.414 -8.546 -1.618 1.00 58.76 O ATOM 381 CB ASP A 28 -3.188 -8.374 -1.606 1.00 61.80 C ATOM 382 CG ASP A 28 -4.656 -8.628 -1.314 1.00 63.91 C ATOM 383 OD1 ASP A 28 -5.315 -7.716 -0.775 1.00 64.41 O ATOM 384 OD2 ASP A 28 -5.155 -9.734 -1.616 1.00 65.60 O ATOM 385 HA ASP A 28 -2.953 -9.805 -3.184 1.00 0.00 H ATOM 386 HB2 ASP A 28 -2.686 -8.119 -0.673 1.00 0.00 H ATOM 387 HB3 ASP A 28 -3.110 -7.537 -2.300 1.00 0.00 H ATOM 388 H ASP A 28 -2.729 -10.609 -0.324 1.00 0.00 H ATOM 389 N CYS A 29 -0.419 -9.852 -3.457 1.00 57.59 N ATOM 390 CA CYS A 29 1.002 -9.683 -3.776 1.00 56.36 C ATOM 391 C CYS A 29 1.586 -8.297 -3.518 1.00 52.92 C ATOM 392 O CYS A 29 1.061 -7.283 -3.983 1.00 53.45 O ATOM 393 CB CYS A 29 1.260 -10.054 -5.239 1.00 58.30 C ATOM 394 SG CYS A 29 0.623 -11.676 -5.727 1.00 63.74 S ATOM 395 HA CYS A 29 1.511 -10.353 -3.083 1.00 0.00 H ATOM 396 HB2 CYS A 29 2.337 -10.046 -5.407 1.00 0.00 H ATOM 397 HB3 CYS A 29 0.790 -9.300 -5.870 1.00 0.00 H ATOM 398 HG CYS A 29 0.912 -11.901 -7.058 1.00 0.00 H ATOM 399 H CYS A 29 -0.998 -10.448 -4.082 1.00 0.00 H ATOM 400 N VAL A 30 2.685 -8.270 -2.776 1.00 48.38 N ATOM 401 CA VAL A 30 3.378 -7.028 -2.466 1.00 43.43 C ATOM 402 C VAL A 30 4.869 -7.307 -2.593 1.00 40.92 C ATOM 403 O VAL A 30 5.280 -8.464 -2.632 1.00 40.54 O ATOM 404 CB VAL A 30 3.062 -6.543 -1.029 1.00 42.22 C ATOM 405 CG1 VAL A 30 1.622 -6.086 -0.938 1.00 39.70 C ATOM 406 CG2 VAL A 30 3.317 -7.661 -0.039 1.00 39.22 C ATOM 407 HA VAL A 30 3.053 -6.244 -3.150 1.00 0.00 H ATOM 408 HB VAL A 30 3.712 -5.702 -0.789 1.00 0.00 H ATOM 409 HG11 VAL A 30 1.458 -5.266 -1.637 1.00 0.00 H ATOM 410 HG12 VAL A 30 0.962 -6.916 -1.189 1.00 0.00 H ATOM 411 HG13 VAL A 30 1.413 -5.748 0.077 1.00 0.00 H ATOM 412 HG21 VAL A 30 2.679 -8.511 -0.280 1.00 0.00 H ATOM 413 HG22 VAL A 30 4.363 -7.963 -0.095 1.00 0.00 H ATOM 414 HG23 VAL A 30 3.092 -7.311 0.968 1.00 0.00 H ATOM 415 H VAL A 30 3.064 -9.164 -2.404 1.00 0.00 H ATOM 416 N ASP A 31 5.672 -6.254 -2.676 1.00 38.12 N ATOM 417 CA ASP A 31 7.114 -6.410 -2.793 1.00 36.11 C ATOM 418 C ASP A 31 7.641 -7.151 -1.579 1.00 32.87 C ATOM 419 O ASP A 31 6.982 -7.215 -0.540 1.00 31.43 O ATOM 420 CB ASP A 31 7.810 -5.047 -2.854 1.00 39.60 C ATOM 421 CG ASP A 31 7.202 -4.125 -3.887 1.00 44.94 C ATOM 422 OD1 ASP A 31 7.141 -4.520 -5.077 1.00 45.90 O ATOM 423 OD2 ASP A 31 6.788 -3.004 -3.503 1.00 48.24 O ATOM 424 HA ASP A 31 7.320 -6.964 -3.709 1.00 0.00 H ATOM 425 HB2 ASP A 31 7.734 -4.573 -1.876 1.00 0.00 H ATOM 426 HB3 ASP A 31 8.860 -5.203 -3.101 1.00 0.00 H ATOM 427 H ASP A 31 5.263 -5.298 -2.657 1.00 0.00 H ATOM 428 N SER A 32 8.839 -7.701 -1.713 1.00 29.35 N ATOM 429 CA SER A 32 9.465 -8.412 -0.617 1.00 26.72 C ATOM 430 C SER A 32 9.755 -7.428 0.520 1.00 26.05 C ATOM 431 O SER A 32 9.675 -7.793 1.690 1.00 26.42 O ATOM 432 CB SER A 32 10.762 -9.065 -1.092 1.00 23.99 C ATOM 433 OG SER A 32 11.468 -9.628 -0.005 1.00 25.83 O ATOM 434 HA SER A 32 8.795 -9.193 -0.258 1.00 0.00 H ATOM 435 HB2 SER A 32 11.387 -8.312 -1.572 1.00 0.00 H ATOM 436 HB3 SER A 32 10.525 -9.850 -1.810 1.00 0.00 H ATOM 437 HG SER A 32 11.688 -8.917 0.648 1.00 0.00 H ATOM 438 H SER A 32 9.339 -7.621 -2.621 1.00 0.00 H ATOM 439 N ALA A 33 10.080 -6.183 0.168 1.00 24.00 N ATOM 440 CA ALA A 33 10.389 -5.151 1.159 1.00 23.34 C ATOM 441 C ALA A 33 9.215 -4.927 2.091 1.00 22.76 C ATOM 442 O ALA A 33 9.396 -4.799 3.296 1.00 24.21 O ATOM 443 CB ALA A 33 10.757 -3.828 0.470 1.00 21.55 C ATOM 444 HA ALA A 33 11.242 -5.498 1.742 1.00 0.00 H ATOM 445 HB1 ALA A 33 11.630 -3.981 -0.164 1.00 0.00 H ATOM 446 HB2 ALA A 33 9.918 -3.492 -0.139 1.00 0.00 H ATOM 447 HB3 ALA A 33 10.983 -3.076 1.226 1.00 0.00 H ATOM 448 H ALA A 33 10.115 -5.938 -0.842 1.00 0.00 H ATOM 449 N VAL A 34 8.015 -4.860 1.517 1.00 22.16 N ATOM 450 CA VAL A 34 6.792 -4.662 2.283 1.00 19.72 C ATOM 451 C VAL A 34 6.526 -5.823 3.255 1.00 20.06 C ATOM 452 O VAL A 34 6.171 -5.600 4.415 1.00 19.80 O ATOM 453 CB VAL A 34 5.582 -4.502 1.327 1.00 18.17 C ATOM 454 CG1 VAL A 34 4.286 -4.433 2.110 1.00 15.22 C ATOM 455 CG2 VAL A 34 5.755 -3.246 0.493 1.00 16.43 C ATOM 456 HA VAL A 34 6.923 -3.754 2.871 1.00 0.00 H ATOM 457 HB VAL A 34 5.538 -5.370 0.669 1.00 0.00 H ATOM 458 HG11 VAL A 34 4.162 -5.350 2.686 1.00 0.00 H ATOM 459 HG12 VAL A 34 4.317 -3.579 2.786 1.00 0.00 H ATOM 460 HG13 VAL A 34 3.451 -4.321 1.419 1.00 0.00 H ATOM 461 HG21 VAL A 34 5.814 -2.379 1.152 1.00 0.00 H ATOM 462 HG22 VAL A 34 6.672 -3.323 -0.092 1.00 0.00 H ATOM 463 HG23 VAL A 34 4.903 -3.137 -0.178 1.00 0.00 H ATOM 464 H VAL A 34 7.949 -4.953 0.483 1.00 0.00 H ATOM 465 N LEU A 35 6.691 -7.057 2.777 1.00 18.20 N ATOM 466 CA LEU A 35 6.468 -8.230 3.615 1.00 17.96 C ATOM 467 C LEU A 35 7.443 -8.227 4.784 1.00 16.56 C ATOM 468 O LEU A 35 7.049 -8.447 5.930 1.00 14.42 O ATOM 469 CB LEU A 35 6.635 -9.515 2.800 1.00 19.26 C ATOM 470 CG LEU A 35 5.593 -9.763 1.706 1.00 21.99 C ATOM 471 CD1 LEU A 35 5.888 -11.084 0.989 1.00 20.12 C ATOM 472 CD2 LEU A 35 4.205 -9.797 2.337 1.00 23.80 C ATOM 473 HA LEU A 35 5.448 -8.192 3.998 1.00 0.00 H ATOM 474 HB2 LEU A 35 7.615 -9.482 2.324 1.00 0.00 H ATOM 475 HB3 LEU A 35 6.597 -10.356 3.493 1.00 0.00 H ATOM 476 HG LEU A 35 5.634 -8.959 0.971 1.00 0.00 H ATOM 477 HD21 LEU A 35 4.162 -10.599 3.074 1.00 0.00 H ATOM 478 HD22 LEU A 35 4.005 -8.843 2.825 1.00 0.00 H ATOM 479 HD23 LEU A 35 3.459 -9.973 1.562 1.00 0.00 H ATOM 480 HD11 LEU A 35 6.879 -11.037 0.537 1.00 0.00 H ATOM 481 HD12 LEU A 35 5.854 -11.902 1.709 1.00 0.00 H ATOM 482 HD13 LEU A 35 5.140 -11.250 0.213 1.00 0.00 H ATOM 483 H LEU A 35 6.984 -7.186 1.788 1.00 0.00 H ATOM 484 N VAL A 36 8.714 -7.970 4.481 1.00 17.08 N ATOM 485 CA VAL A 36 9.767 -7.907 5.489 1.00 15.87 C ATOM 486 C VAL A 36 9.399 -6.934 6.602 1.00 16.63 C ATOM 487 O VAL A 36 9.599 -7.233 7.781 1.00 16.88 O ATOM 488 CB VAL A 36 11.102 -7.463 4.868 1.00 15.33 C ATOM 489 CG1 VAL A 36 12.127 -7.197 5.966 1.00 12.74 C ATOM 490 CG2 VAL A 36 11.604 -8.538 3.909 1.00 13.18 C ATOM 491 HA VAL A 36 9.875 -8.910 5.902 1.00 0.00 H ATOM 492 HB VAL A 36 10.952 -6.539 4.310 1.00 0.00 H ATOM 493 HG11 VAL A 36 11.758 -6.410 6.623 1.00 0.00 H ATOM 494 HG12 VAL A 36 12.285 -8.109 6.542 1.00 0.00 H ATOM 495 HG13 VAL A 36 13.068 -6.883 5.514 1.00 0.00 H ATOM 496 HG21 VAL A 36 11.750 -9.470 4.455 1.00 0.00 H ATOM 497 HG22 VAL A 36 10.869 -8.690 3.118 1.00 0.00 H ATOM 498 HG23 VAL A 36 12.550 -8.219 3.471 1.00 0.00 H ATOM 499 H VAL A 36 8.966 -7.808 3.485 1.00 0.00 H ATOM 500 N ASP A 37 8.875 -5.768 6.227 1.00 18.44 N ATOM 501 CA ASP A 37 8.466 -4.768 7.209 1.00 18.99 C ATOM 502 C ASP A 37 7.212 -5.220 7.966 1.00 17.86 C ATOM 503 O ASP A 37 7.064 -4.939 9.152 1.00 20.03 O ATOM 504 CB ASP A 37 8.206 -3.418 6.535 1.00 22.12 C ATOM 505 CG ASP A 37 9.486 -2.748 6.064 1.00 25.30 C ATOM 506 OD1 ASP A 37 10.561 -3.050 6.640 1.00 25.97 O ATOM 507 OD2 ASP A 37 9.414 -1.911 5.133 1.00 20.94 O ATOM 508 HA ASP A 37 9.282 -4.655 7.923 1.00 0.00 H ATOM 509 HB2 ASP A 37 7.556 -3.576 5.674 1.00 0.00 H ATOM 510 HB3 ASP A 37 7.709 -2.761 7.248 1.00 0.00 H ATOM 511 H ASP A 37 8.755 -5.566 5.214 1.00 0.00 H ATOM 512 N VAL A 38 6.302 -5.906 7.283 1.00 15.66 N ATOM 513 CA VAL A 38 5.108 -6.400 7.956 1.00 14.70 C ATOM 514 C VAL A 38 5.569 -7.354 9.049 1.00 14.99 C ATOM 515 O VAL A 38 5.061 -7.313 10.170 1.00 14.52 O ATOM 516 CB VAL A 38 4.165 -7.161 6.975 1.00 14.37 C ATOM 517 CG1 VAL A 38 3.293 -8.169 7.730 1.00 7.80 C ATOM 518 CG2 VAL A 38 3.291 -6.167 6.248 1.00 11.78 C ATOM 519 HA VAL A 38 4.546 -5.558 8.361 1.00 0.00 H ATOM 520 HB VAL A 38 4.774 -7.709 6.256 1.00 0.00 H ATOM 521 HG11 VAL A 38 3.932 -8.893 8.236 1.00 0.00 H ATOM 522 HG12 VAL A 38 2.685 -7.642 8.465 1.00 0.00 H ATOM 523 HG13 VAL A 38 2.644 -8.687 7.024 1.00 0.00 H ATOM 524 HG21 VAL A 38 2.694 -5.613 6.972 1.00 0.00 H ATOM 525 HG22 VAL A 38 3.919 -5.475 5.687 1.00 0.00 H ATOM 526 HG23 VAL A 38 2.632 -6.699 5.562 1.00 0.00 H ATOM 527 H VAL A 38 6.442 -6.090 6.269 1.00 0.00 H ATOM 528 N SER A 39 6.544 -8.205 8.716 1.00 15.71 N ATOM 529 CA SER A 39 7.074 -9.183 9.667 1.00 15.71 C ATOM 530 C SER A 39 7.687 -8.500 10.883 1.00 16.04 C ATOM 531 O SER A 39 7.436 -8.883 12.028 1.00 17.09 O ATOM 532 CB SER A 39 8.126 -10.068 8.994 1.00 15.62 C ATOM 533 OG SER A 39 8.605 -11.051 9.896 1.00 15.49 O ATOM 534 HA SER A 39 6.240 -9.800 10.001 1.00 0.00 H ATOM 535 HB2 SER A 39 8.959 -9.447 8.665 1.00 0.00 H ATOM 536 HB3 SER A 39 7.680 -10.561 8.131 1.00 0.00 H ATOM 537 HG SER A 39 9.283 -11.612 9.442 1.00 0.00 H ATOM 538 H SER A 39 6.937 -8.171 7.754 1.00 0.00 H ATOM 539 N LYS A 40 8.489 -7.479 10.626 1.00 16.94 N ATOM 540 CA LYS A 40 9.138 -6.736 11.692 1.00 17.68 C ATOM 541 C LYS A 40 8.116 -6.078 12.603 1.00 17.47 C ATOM 542 O LYS A 40 8.286 -6.068 13.823 1.00 18.49 O ATOM 543 CB LYS A 40 10.049 -5.662 11.105 1.00 16.47 C ATOM 544 CG LYS A 40 11.163 -6.210 10.237 1.00 19.23 C ATOM 545 CD LYS A 40 12.035 -5.086 9.681 1.00 22.31 C ATOM 546 CE LYS A 40 13.259 -5.632 8.963 1.00 22.50 C ATOM 547 NZ LYS A 40 14.129 -4.550 8.430 1.00 24.84 N ATOM 548 HA LYS A 40 9.727 -7.442 12.277 1.00 0.00 H ATOM 549 HB2 LYS A 40 9.441 -4.989 10.500 1.00 0.00 H ATOM 550 HB3 LYS A 40 10.497 -5.104 11.927 1.00 0.00 H ATOM 551 HG2 LYS A 40 11.783 -6.879 10.834 1.00 0.00 H ATOM 552 HG3 LYS A 40 10.727 -6.765 9.407 1.00 0.00 H ATOM 553 HD2 LYS A 40 11.447 -4.495 8.979 1.00 0.00 H ATOM 554 HD3 LYS A 40 12.361 -4.450 10.504 1.00 0.00 H ATOM 555 HE2 LYS A 40 12.929 -6.258 8.134 1.00 0.00 H ATOM 556 HE3 LYS A 40 13.837 -6.234 9.664 1.00 0.00 H ATOM 557 HZ1 LYS A 40 13.588 -3.973 7.754 1.00 0.00 H ATOM 558 HZ2 LYS A 40 14.455 -3.951 9.215 1.00 0.00 H ATOM 559 HZ3 LYS A 40 14.949 -4.972 7.950 1.00 0.00 H ATOM 560 H LYS A 40 8.658 -7.202 9.638 1.00 0.00 H ATOM 561 N ILE A 41 7.059 -5.527 12.010 1.00 16.32 N ATOM 562 CA ILE A 41 6.028 -4.851 12.791 1.00 15.76 C ATOM 563 C ILE A 41 5.219 -5.810 13.651 1.00 15.58 C ATOM 564 O ILE A 41 4.862 -5.483 14.782 1.00 15.04 O ATOM 565 CB ILE A 41 5.070 -4.035 11.886 1.00 15.07 C ATOM 566 CG1 ILE A 41 5.862 -2.981 11.111 1.00 15.56 C ATOM 567 CG2 ILE A 41 4.020 -3.322 12.735 1.00 13.81 C ATOM 568 CD1 ILE A 41 5.006 -2.135 10.175 1.00 15.73 C ATOM 569 HA ILE A 41 6.560 -4.170 13.455 1.00 0.00 H ATOM 570 HB ILE A 41 4.581 -4.722 11.195 1.00 0.00 H ATOM 571 HG12 ILE A 41 6.346 -2.318 11.828 1.00 0.00 H ATOM 572 HG13 ILE A 41 6.622 -3.489 10.517 1.00 0.00 H ATOM 573 HD11 ILE A 41 4.523 -2.782 9.443 1.00 0.00 H ATOM 574 HD12 ILE A 41 4.247 -1.610 10.754 1.00 0.00 H ATOM 575 HD13 ILE A 41 5.638 -1.411 9.661 1.00 0.00 H ATOM 576 HG21 ILE A 41 3.443 -4.060 13.292 1.00 0.00 H ATOM 577 HG22 ILE A 41 4.516 -2.646 13.431 1.00 0.00 H ATOM 578 HG23 ILE A 41 3.355 -2.753 12.086 1.00 0.00 H ATOM 579 H ILE A 41 6.967 -5.579 10.975 1.00 0.00 H ATOM 580 N ILE A 42 4.931 -6.997 13.130 1.00 15.92 N ATOM 581 CA ILE A 42 4.169 -7.959 13.915 1.00 16.15 C ATOM 582 C ILE A 42 4.973 -8.367 15.143 1.00 15.47 C ATOM 583 O ILE A 42 4.444 -8.425 16.255 1.00 14.38 O ATOM 584 CB ILE A 42 3.830 -9.226 13.104 1.00 14.70 C ATOM 585 CG1 ILE A 42 2.885 -8.866 11.956 1.00 15.44 C ATOM 586 CG2 ILE A 42 3.193 -10.262 14.009 1.00 12.28 C ATOM 587 CD1 ILE A 42 2.552 -10.029 11.045 1.00 18.67 C ATOM 588 HA ILE A 42 3.236 -7.477 14.206 1.00 0.00 H ATOM 589 HB ILE A 42 4.746 -9.644 12.687 1.00 0.00 H ATOM 590 HG12 ILE A 42 1.956 -8.487 12.382 1.00 0.00 H ATOM 591 HG13 ILE A 42 3.354 -8.085 11.358 1.00 0.00 H ATOM 592 HD11 ILE A 42 3.469 -10.414 10.599 1.00 0.00 H ATOM 593 HD12 ILE A 42 2.070 -10.816 11.625 1.00 0.00 H ATOM 594 HD13 ILE A 42 1.878 -9.691 10.258 1.00 0.00 H ATOM 595 HG21 ILE A 42 3.888 -10.521 14.808 1.00 0.00 H ATOM 596 HG22 ILE A 42 2.278 -9.854 14.439 1.00 0.00 H ATOM 597 HG23 ILE A 42 2.957 -11.154 13.428 1.00 0.00 H ATOM 598 H ILE A 42 5.247 -7.238 12.169 1.00 0.00 H ATOM 599 N THR A 43 6.256 -8.642 14.934 1.00 16.20 N ATOM 600 CA THR A 43 7.139 -9.051 16.017 1.00 18.24 C ATOM 601 C THR A 43 7.215 -7.951 17.083 1.00 18.46 C ATOM 602 O THR A 43 7.097 -8.220 18.280 1.00 20.25 O ATOM 603 CB THR A 43 8.551 -9.374 15.483 1.00 17.75 C ATOM 604 OG1 THR A 43 8.492 -10.540 14.652 1.00 20.49 O ATOM 605 CG2 THR A 43 9.511 -9.629 16.629 1.00 19.63 C ATOM 606 HA THR A 43 6.729 -9.954 16.469 1.00 0.00 H ATOM 607 HB THR A 43 8.908 -8.520 14.907 1.00 0.00 H ATOM 608 HG1 THR A 43 7.881 -10.371 13.891 1.00 0.00 H ATOM 609 HG23 THR A 43 9.559 -8.745 17.264 1.00 0.00 H ATOM 610 HG21 THR A 43 9.159 -10.479 17.214 1.00 0.00 H ATOM 611 HG22 THR A 43 10.502 -9.846 16.230 1.00 0.00 H ATOM 612 H THR A 43 6.640 -8.563 13.971 1.00 0.00 H ATOM 613 N LEU A 44 7.402 -6.713 16.644 1.00 17.30 N ATOM 614 CA LEU A 44 7.462 -5.592 17.569 1.00 17.40 C ATOM 615 C LEU A 44 6.200 -5.481 18.414 1.00 16.05 C ATOM 616 O LEU A 44 6.295 -5.384 19.632 1.00 16.74 O ATOM 617 CB LEU A 44 7.679 -4.285 16.812 1.00 14.90 C ATOM 618 CG LEU A 44 9.101 -4.103 16.302 1.00 17.26 C ATOM 619 CD1 LEU A 44 9.200 -2.817 15.481 1.00 15.60 C ATOM 620 CD2 LEU A 44 10.051 -4.068 17.505 1.00 18.05 C ATOM 621 HA LEU A 44 8.304 -5.776 18.237 1.00 0.00 H ATOM 622 HB2 LEU A 44 7.002 -4.265 15.958 1.00 0.00 H ATOM 623 HB3 LEU A 44 7.444 -3.457 17.480 1.00 0.00 H ATOM 624 HG LEU A 44 9.380 -4.933 15.652 1.00 0.00 H ATOM 625 HD21 LEU A 44 9.780 -3.237 18.156 1.00 0.00 H ATOM 626 HD22 LEU A 44 9.971 -5.005 18.057 1.00 0.00 H ATOM 627 HD23 LEU A 44 11.075 -3.938 17.154 1.00 0.00 H ATOM 628 HD11 LEU A 44 8.518 -2.876 14.633 1.00 0.00 H ATOM 629 HD12 LEU A 44 8.931 -1.966 16.107 1.00 0.00 H ATOM 630 HD13 LEU A 44 10.221 -2.695 15.120 1.00 0.00 H ATOM 631 H LEU A 44 7.507 -6.542 15.624 1.00 0.00 H ATOM 632 N THR A 45 5.029 -5.506 17.775 1.00 14.61 N ATOM 633 CA THR A 45 3.762 -5.391 18.502 1.00 15.26 C ATOM 634 C THR A 45 3.581 -6.486 19.551 1.00 16.38 C ATOM 635 O THR A 45 2.894 -6.280 20.548 1.00 17.48 O ATOM 636 CB THR A 45 2.505 -5.390 17.543 1.00 14.22 C ATOM 637 OG1 THR A 45 2.402 -6.643 16.851 1.00 13.14 O ATOM 638 CG2 THR A 45 2.596 -4.255 16.533 1.00 11.71 C ATOM 639 HA THR A 45 3.821 -4.427 19.006 1.00 0.00 H ATOM 640 HB THR A 45 1.615 -5.245 18.156 1.00 0.00 H ATOM 641 HG1 THR A 45 3.219 -6.789 16.312 1.00 0.00 H ATOM 642 HG23 THR A 45 2.674 -3.305 17.062 1.00 0.00 H ATOM 643 HG21 THR A 45 3.477 -4.397 15.907 1.00 0.00 H ATOM 644 HG22 THR A 45 1.702 -4.253 15.909 1.00 0.00 H ATOM 645 H THR A 45 5.015 -5.609 16.740 1.00 0.00 H ATOM 646 N GLN A 46 4.192 -7.648 19.335 1.00 18.72 N ATOM 647 CA GLN A 46 4.068 -8.733 20.298 1.00 20.20 C ATOM 648 C GLN A 46 4.987 -8.481 21.479 1.00 20.45 C ATOM 649 O GLN A 46 4.668 -8.841 22.610 1.00 20.72 O ATOM 650 CB GLN A 46 4.383 -10.071 19.643 1.00 21.13 C ATOM 651 CG GLN A 46 3.306 -10.522 18.681 1.00 23.34 C ATOM 652 CD GLN A 46 3.529 -11.931 18.181 1.00 28.29 C ATOM 653 OE1 GLN A 46 3.554 -12.889 18.958 1.00 31.05 O ATOM 654 NE2 GLN A 46 3.691 -12.069 16.879 1.00 31.89 N ATOM 655 HA GLN A 46 3.039 -8.770 20.657 1.00 0.00 H ATOM 656 HB2 GLN A 46 5.322 -9.979 19.097 1.00 0.00 H ATOM 657 HB3 GLN A 46 4.491 -10.824 20.424 1.00 0.00 H ATOM 658 HG2 GLN A 46 2.343 -10.480 19.189 1.00 0.00 H ATOM 659 HG3 GLN A 46 3.295 -9.845 17.827 1.00 0.00 H ATOM 660 HE22 GLN A 46 3.663 -11.234 16.260 1.00 0.00 H ATOM 661 HE21 GLN A 46 3.847 -13.013 16.472 1.00 0.00 H ATOM 662 H GLN A 46 4.761 -7.782 18.475 1.00 0.00 H ATOM 663 N GLU A 47 6.132 -7.863 21.209 1.00 21.44 N ATOM 664 CA GLU A 47 7.067 -7.517 22.272 1.00 21.93 C ATOM 665 C GLU A 47 6.373 -6.412 23.082 1.00 20.16 C ATOM 666 O GLU A 47 6.326 -6.452 24.313 1.00 18.43 O ATOM 667 CB GLU A 47 8.380 -6.997 21.679 1.00 25.14 C ATOM 668 CG GLU A 47 9.385 -6.534 22.717 1.00 30.76 C ATOM 669 CD GLU A 47 9.982 -7.679 23.533 1.00 36.40 C ATOM 670 OE1 GLU A 47 9.214 -8.522 24.049 1.00 37.79 O ATOM 671 OE2 GLU A 47 11.227 -7.731 23.666 1.00 38.67 O ATOM 672 HA GLU A 47 7.315 -8.380 22.891 1.00 0.00 H ATOM 673 HB2 GLU A 47 8.834 -7.798 21.095 1.00 0.00 H ATOM 674 HB3 GLU A 47 8.151 -6.156 21.024 1.00 0.00 H ATOM 675 HG2 GLU A 47 10.195 -6.013 22.206 1.00 0.00 H ATOM 676 HG3 GLU A 47 8.886 -5.846 23.399 1.00 0.00 H ATOM 677 H GLU A 47 6.364 -7.623 20.224 1.00 0.00 H ATOM 678 N PHE A 48 5.808 -5.440 22.372 1.00 17.26 N ATOM 679 CA PHE A 48 5.095 -4.343 23.009 1.00 16.20 C ATOM 680 C PHE A 48 3.978 -4.869 23.918 1.00 16.51 C ATOM 681 O PHE A 48 3.874 -4.451 25.067 1.00 15.13 O ATOM 682 CB PHE A 48 4.512 -3.405 21.940 1.00 14.09 C ATOM 683 CG PHE A 48 3.735 -2.229 22.499 1.00 11.63 C ATOM 684 CD1 PHE A 48 2.431 -2.394 22.975 1.00 10.57 C ATOM 685 CD2 PHE A 48 4.308 -0.959 22.548 1.00 10.15 C ATOM 686 CE1 PHE A 48 1.709 -1.309 23.493 1.00 9.20 C ATOM 687 CE2 PHE A 48 3.594 0.138 23.064 1.00 8.69 C ATOM 688 CZ PHE A 48 2.293 -0.042 23.537 1.00 9.47 C ATOM 689 HA PHE A 48 5.801 -3.787 23.626 1.00 0.00 H ATOM 690 HB2 PHE A 48 5.335 -3.017 21.340 1.00 0.00 H ATOM 691 HB3 PHE A 48 3.843 -3.985 21.304 1.00 0.00 H ATOM 692 HD2 PHE A 48 5.324 -0.814 22.181 1.00 0.00 H ATOM 693 HE2 PHE A 48 4.055 1.125 23.094 1.00 0.00 H ATOM 694 HZ PHE A 48 1.735 0.804 23.939 1.00 0.00 H ATOM 695 HE1 PHE A 48 0.693 -1.455 23.861 1.00 0.00 H ATOM 696 HD1 PHE A 48 1.969 -3.381 22.943 1.00 0.00 H ATOM 697 H PHE A 48 5.877 -5.464 21.335 1.00 0.00 H ATOM 698 N ARG A 49 3.151 -5.782 23.410 1.00 18.47 N ATOM 699 CA ARG A 49 2.046 -6.325 24.207 1.00 19.86 C ATOM 700 C ARG A 49 2.556 -7.024 25.455 1.00 21.26 C ATOM 701 O ARG A 49 1.902 -7.014 26.495 1.00 22.38 O ATOM 702 CB ARG A 49 1.224 -7.330 23.400 1.00 20.53 C ATOM 703 CG ARG A 49 -0.055 -7.759 24.116 1.00 23.72 C ATOM 704 CD ARG A 49 -1.282 -7.022 23.580 1.00 24.89 C ATOM 705 NE ARG A 49 -1.606 -7.521 22.246 1.00 31.42 N ATOM 706 CZ ARG A 49 -2.573 -7.055 21.465 1.00 33.10 C ATOM 707 NH1 ARG A 49 -3.343 -6.059 21.870 1.00 37.14 N ATOM 708 NH2 ARG A 49 -2.760 -7.582 20.266 1.00 35.30 N ATOM 709 HA ARG A 49 1.421 -5.478 24.490 1.00 0.00 H ATOM 710 HB2 ARG A 49 0.954 -6.874 22.447 1.00 0.00 H ATOM 711 HB3 ARG A 49 1.835 -8.214 23.218 1.00 0.00 H ATOM 712 HG2 ARG A 49 -0.197 -8.830 23.973 1.00 0.00 H ATOM 713 HG3 ARG A 49 0.048 -7.546 25.180 1.00 0.00 H ATOM 714 HD2 ARG A 49 -1.070 -5.954 23.527 1.00 0.00 H ATOM 715 HD3 ARG A 49 -2.128 -7.191 24.247 1.00 0.00 H ATOM 716 HE ARG A 49 -1.032 -8.306 21.878 1.00 0.00 H ATOM 717 HH12 ARG A 49 -4.098 -5.701 21.251 1.00 0.00 H ATOM 718 HH11 ARG A 49 -3.193 -5.634 22.807 1.00 0.00 H ATOM 719 HH22 ARG A 49 -3.516 -7.220 19.651 1.00 0.00 H ATOM 720 HH21 ARG A 49 -2.151 -8.358 19.938 1.00 0.00 H ATOM 721 H ARG A 49 3.291 -6.114 22.435 1.00 0.00 H ATOM 722 N ARG A 50 3.723 -7.643 25.324 1.00 22.31 N ATOM 723 CA ARG A 50 4.365 -8.366 26.407 1.00 22.83 C ATOM 724 C ARG A 50 4.661 -7.387 27.547 1.00 23.23 C ATOM 725 O ARG A 50 4.471 -7.704 28.716 1.00 23.96 O ATOM 726 CB ARG A 50 5.655 -9.003 25.876 1.00 26.00 C ATOM 727 CG ARG A 50 6.087 -10.275 26.581 1.00 29.53 C ATOM 728 CD ARG A 50 7.312 -10.061 27.438 1.00 34.34 C ATOM 729 NE ARG A 50 8.519 -9.777 26.661 1.00 37.04 N ATOM 730 CZ ARG A 50 9.711 -9.542 27.209 1.00 38.76 C ATOM 731 NH1 ARG A 50 9.846 -9.563 28.530 1.00 38.74 N ATOM 732 NH2 ARG A 50 10.765 -9.278 26.446 1.00 36.77 N ATOM 733 HA ARG A 50 3.717 -9.156 26.788 1.00 0.00 H ATOM 734 HB2 ARG A 50 5.507 -9.236 24.821 1.00 0.00 H ATOM 735 HB3 ARG A 50 6.458 -8.273 25.976 1.00 0.00 H ATOM 736 HG2 ARG A 50 5.270 -10.621 27.215 1.00 0.00 H ATOM 737 HG3 ARG A 50 6.310 -11.034 25.831 1.00 0.00 H ATOM 738 HD2 ARG A 50 7.484 -10.961 28.028 1.00 0.00 H ATOM 739 HD3 ARG A 50 7.125 -9.221 28.106 1.00 0.00 H ATOM 740 HE ARG A 50 8.443 -9.757 25.624 1.00 0.00 H ATOM 741 HH12 ARG A 50 10.775 -9.380 28.961 1.00 0.00 H ATOM 742 HH11 ARG A 50 9.023 -9.762 29.134 1.00 0.00 H ATOM 743 HH22 ARG A 50 11.691 -9.096 26.883 1.00 0.00 H ATOM 744 HH21 ARG A 50 10.665 -9.253 25.411 1.00 0.00 H ATOM 745 H ARG A 50 4.201 -7.608 24.401 1.00 0.00 H ATOM 746 N HIS A 51 5.123 -6.190 27.203 1.00 23.16 N ATOM 747 CA HIS A 51 5.412 -5.179 28.213 1.00 23.40 C ATOM 748 C HIS A 51 4.103 -4.677 28.801 1.00 23.18 C ATOM 749 O HIS A 51 3.987 -4.475 30.005 1.00 24.31 O ATOM 750 CB HIS A 51 6.161 -3.992 27.604 1.00 22.37 C ATOM 751 CG HIS A 51 7.513 -4.336 27.064 1.00 28.09 C ATOM 752 ND1 HIS A 51 8.355 -3.390 26.518 1.00 29.54 N ATOM 753 CD2 HIS A 51 8.167 -5.519 26.974 1.00 27.21 C ATOM 754 CE1 HIS A 51 9.467 -3.978 26.110 1.00 28.57 C ATOM 755 NE2 HIS A 51 9.378 -5.269 26.375 1.00 26.97 N ATOM 756 HA HIS A 51 6.036 -5.631 28.984 1.00 0.00 H ATOM 757 HB2 HIS A 51 5.559 -3.588 26.790 1.00 0.00 H ATOM 758 HB3 HIS A 51 6.283 -3.232 28.375 1.00 0.00 H ATOM 759 HD2 HIS A 51 7.801 -6.488 27.313 1.00 0.00 H ATOM 760 HE1 HIS A 51 10.313 -3.482 25.636 1.00 0.00 H ATOM 761 H HIS A 51 5.281 -5.971 26.199 1.00 0.00 H ATOM 762 N TYR A 52 3.110 -4.480 27.945 1.00 22.64 N ATOM 763 CA TYR A 52 1.829 -3.983 28.409 1.00 24.52 C ATOM 764 C TYR A 52 1.220 -4.913 29.448 1.00 26.48 C ATOM 765 O TYR A 52 0.633 -4.456 30.422 1.00 25.91 O ATOM 766 CB TYR A 52 0.856 -3.833 27.248 1.00 21.70 C ATOM 767 CG TYR A 52 -0.438 -3.167 27.648 1.00 21.02 C ATOM 768 CD1 TYR A 52 -0.601 -1.787 27.515 1.00 21.70 C ATOM 769 CD2 TYR A 52 -1.497 -3.908 28.167 1.00 18.94 C ATOM 770 CE1 TYR A 52 -1.787 -1.161 27.883 1.00 21.38 C ATOM 771 CE2 TYR A 52 -2.694 -3.290 28.543 1.00 19.82 C ATOM 772 CZ TYR A 52 -2.831 -1.916 28.395 1.00 22.08 C ATOM 773 OH TYR A 52 -4.013 -1.293 28.737 1.00 25.15 O ATOM 774 HA TYR A 52 2.007 -3.009 28.864 1.00 0.00 H ATOM 775 HB3 TYR A 52 0.630 -4.823 26.853 1.00 0.00 H ATOM 776 HB2 TYR A 52 1.331 -3.233 26.471 1.00 0.00 H ATOM 777 HD2 TYR A 52 -1.391 -4.987 28.282 1.00 0.00 H ATOM 778 HE2 TYR A 52 -3.514 -3.883 28.949 1.00 0.00 H ATOM 779 HE1 TYR A 52 -1.895 -0.082 27.769 1.00 0.00 H ATOM 780 HD1 TYR A 52 0.217 -1.188 27.115 1.00 0.00 H ATOM 781 HH TYR A 52 -3.933 -0.321 28.568 1.00 0.00 H ATOM 782 H TYR A 52 3.250 -4.683 26.935 1.00 0.00 H ATOM 783 N ASP A 53 1.363 -6.217 29.239 1.00 28.48 N ATOM 784 CA ASP A 53 0.799 -7.184 30.170 1.00 30.23 C ATOM 785 C ASP A 53 1.583 -7.295 31.474 1.00 29.07 C ATOM 786 O ASP A 53 1.033 -7.723 32.486 1.00 29.07 O ATOM 787 CB ASP A 53 0.680 -8.564 29.506 1.00 32.35 C ATOM 788 CG ASP A 53 -0.231 -8.548 28.285 1.00 33.45 C ATOM 789 OD1 ASP A 53 -1.233 -7.801 28.300 1.00 34.31 O ATOM 790 OD2 ASP A 53 0.047 -9.292 27.318 1.00 36.10 O ATOM 791 HA ASP A 53 -0.193 -6.814 30.431 1.00 0.00 H ATOM 792 HB2 ASP A 53 1.673 -8.890 29.197 1.00 0.00 H ATOM 793 HB3 ASP A 53 0.277 -9.269 30.234 1.00 0.00 H ATOM 794 H ASP A 53 1.883 -6.550 28.402 1.00 0.00 H ATOM 795 N SER A 54 2.859 -6.914 31.448 1.00 27.12 N ATOM 796 CA SER A 54 3.695 -6.960 32.650 1.00 28.57 C ATOM 797 C SER A 54 3.355 -5.807 33.595 1.00 29.04 C ATOM 798 O SER A 54 3.368 -5.956 34.821 1.00 29.29 O ATOM 799 CB SER A 54 5.179 -6.874 32.276 1.00 29.01 C ATOM 800 OG SER A 54 5.597 -8.026 31.567 1.00 31.65 O ATOM 801 HA SER A 54 3.498 -7.907 33.152 1.00 0.00 H ATOM 802 HB2 SER A 54 5.771 -6.783 33.187 1.00 0.00 H ATOM 803 HB3 SER A 54 5.338 -5.995 31.652 1.00 0.00 H ATOM 804 HG SER A 54 5.066 -8.111 30.736 1.00 0.00 H ATOM 805 H SER A 54 3.271 -6.576 30.555 1.00 0.00 H ATOM 806 N VAL A 55 3.048 -4.656 33.006 1.00 27.59 N ATOM 807 CA VAL A 55 2.715 -3.464 33.762 1.00 26.03 C ATOM 808 C VAL A 55 1.244 -3.371 34.160 1.00 27.43 C ATOM 809 O VAL A 55 0.928 -3.025 35.298 1.00 27.48 O ATOM 810 CB VAL A 55 3.082 -2.203 32.959 1.00 25.34 C ATOM 811 CG1 VAL A 55 2.588 -0.968 33.691 1.00 24.46 C ATOM 812 CG2 VAL A 55 4.593 -2.144 32.739 1.00 21.99 C ATOM 813 HA VAL A 55 3.297 -3.532 34.681 1.00 0.00 H ATOM 814 HB VAL A 55 2.599 -2.240 31.982 1.00 0.00 H ATOM 815 HG11 VAL A 55 1.505 -1.023 33.804 1.00 0.00 H ATOM 816 HG12 VAL A 55 3.055 -0.919 34.675 1.00 0.00 H ATOM 817 HG13 VAL A 55 2.850 -0.078 33.118 1.00 0.00 H ATOM 818 HG21 VAL A 55 5.099 -2.115 33.704 1.00 0.00 H ATOM 819 HG22 VAL A 55 4.913 -3.027 32.186 1.00 0.00 H ATOM 820 HG23 VAL A 55 4.841 -1.248 32.170 1.00 0.00 H ATOM 821 H VAL A 55 3.046 -4.608 31.967 1.00 0.00 H ATOM 822 N TYR A 56 0.349 -3.689 33.229 1.00 29.60 N ATOM 823 CA TYR A 56 -1.089 -3.600 33.475 1.00 31.27 C ATOM 824 C TYR A 56 -1.832 -4.929 33.406 1.00 34.50 C ATOM 825 O TYR A 56 -1.414 -5.859 32.714 1.00 34.04 O ATOM 826 CB TYR A 56 -1.716 -2.640 32.468 1.00 28.10 C ATOM 827 CG TYR A 56 -1.112 -1.253 32.477 1.00 27.25 C ATOM 828 CD1 TYR A 56 -1.377 -0.363 33.517 1.00 24.04 C ATOM 829 CD2 TYR A 56 -0.278 -0.827 31.439 1.00 25.53 C ATOM 830 CE1 TYR A 56 -0.829 0.923 33.527 1.00 25.00 C ATOM 831 CE2 TYR A 56 0.277 0.457 31.437 1.00 26.58 C ATOM 832 CZ TYR A 56 -0.003 1.328 32.487 1.00 26.12 C ATOM 833 OH TYR A 56 0.543 2.596 32.506 1.00 27.89 O ATOM 834 HA TYR A 56 -1.189 -3.243 34.500 1.00 0.00 H ATOM 835 HB3 TYR A 56 -2.779 -2.552 32.694 1.00 0.00 H ATOM 836 HB2 TYR A 56 -1.592 -3.061 31.470 1.00 0.00 H ATOM 837 HD2 TYR A 56 -0.056 -1.507 30.617 1.00 0.00 H ATOM 838 HE2 TYR A 56 0.924 0.774 30.619 1.00 0.00 H ATOM 839 HE1 TYR A 56 -1.049 1.605 34.348 1.00 0.00 H ATOM 840 HD1 TYR A 56 -2.023 -0.676 34.337 1.00 0.00 H ATOM 841 HH TYR A 56 0.239 3.073 33.319 1.00 0.00 H ATOM 842 H TYR A 56 0.682 -4.011 32.298 1.00 0.00 H ATOM 843 N ARG A 57 -2.950 -5.003 34.121 1.00 37.66 N ATOM 844 CA ARG A 57 -3.770 -6.207 34.134 1.00 42.51 C ATOM 845 C ARG A 57 -4.803 -6.160 33.008 1.00 44.31 C ATOM 846 O ARG A 57 -5.079 -7.175 32.358 1.00 44.22 O ATOM 847 CB ARG A 57 -4.493 -6.345 35.481 1.00 45.20 C ATOM 848 CG ARG A 57 -3.674 -7.009 36.582 1.00 48.68 C ATOM 849 CD ARG A 57 -3.460 -8.493 36.291 1.00 52.96 C ATOM 850 NE ARG A 57 -4.147 -9.362 37.248 1.00 56.30 N ATOM 851 CZ ARG A 57 -5.470 -9.438 37.392 1.00 58.57 C ATOM 852 NH1 ARG A 57 -6.272 -8.694 36.638 1.00 59.81 N ATOM 853 NH2 ARG A 57 -5.995 -10.260 38.295 1.00 57.70 N ATOM 854 HA ARG A 57 -3.116 -7.066 33.986 1.00 0.00 H ATOM 855 HB2 ARG A 57 -4.772 -5.347 35.820 1.00 0.00 H ATOM 856 HB3 ARG A 57 -5.394 -6.938 35.323 1.00 0.00 H ATOM 857 HG2 ARG A 57 -2.704 -6.516 36.651 1.00 0.00 H ATOM 858 HG3 ARG A 57 -4.201 -6.905 37.530 1.00 0.00 H ATOM 859 HD2 ARG A 57 -2.392 -8.706 36.331 1.00 0.00 H ATOM 860 HD3 ARG A 57 -3.835 -8.710 35.291 1.00 0.00 H ATOM 861 HE ARG A 57 -3.560 -9.964 37.860 1.00 0.00 H ATOM 862 HH12 ARG A 57 -7.303 -8.758 36.755 1.00 0.00 H ATOM 863 HH11 ARG A 57 -5.868 -8.048 35.930 1.00 0.00 H ATOM 864 HH22 ARG A 57 -7.027 -10.319 38.407 1.00 0.00 H ATOM 865 HH21 ARG A 57 -5.373 -10.844 38.890 1.00 0.00 H ATOM 866 H ARG A 57 -3.247 -4.181 34.685 1.00 0.00 H ATOM 867 N ALA A 58 -5.354 -4.969 32.777 1.00 45.85 N ATOM 868 CA ALA A 58 -6.382 -4.762 31.761 1.00 45.83 C ATOM 869 C ALA A 58 -5.973 -5.046 30.323 1.00 46.13 C ATOM 870 O ALA A 58 -4.820 -4.895 29.926 1.00 47.23 O ATOM 871 CB ALA A 58 -6.943 -3.346 31.865 1.00 46.13 C ATOM 872 HA ALA A 58 -7.140 -5.512 31.988 1.00 0.00 H ATOM 873 HB1 ALA A 58 -7.381 -3.202 32.853 1.00 0.00 H ATOM 874 HB2 ALA A 58 -6.139 -2.626 31.714 1.00 0.00 H ATOM 875 HB3 ALA A 58 -7.709 -3.203 31.103 1.00 0.00 H ATOM 876 H ALA A 58 -5.039 -4.155 33.343 1.00 0.00 H ATOM 877 N ASP A 59 -6.970 -5.459 29.555 1.00 45.91 N ATOM 878 CA ASP A 59 -6.840 -5.794 28.151 1.00 44.12 C ATOM 879 C ASP A 59 -7.267 -4.526 27.409 1.00 42.01 C ATOM 880 O ASP A 59 -7.741 -3.575 28.035 1.00 40.32 O ATOM 881 CB ASP A 59 -7.805 -6.950 27.854 1.00 46.77 C ATOM 882 CG ASP A 59 -7.425 -7.738 26.627 1.00 49.99 C ATOM 883 OD1 ASP A 59 -6.217 -8.000 26.440 1.00 52.69 O ATOM 884 OD2 ASP A 59 -8.337 -8.114 25.861 1.00 52.26 O ATOM 885 HA ASP A 59 -5.836 -6.103 27.859 1.00 0.00 H ATOM 886 HB2 ASP A 59 -7.813 -7.624 28.711 1.00 0.00 H ATOM 887 HB3 ASP A 59 -8.804 -6.539 27.707 1.00 0.00 H ATOM 888 H ASP A 59 -7.911 -5.549 29.989 1.00 0.00 H ATOM 889 N TYR A 60 -7.092 -4.494 26.091 1.00 38.91 N ATOM 890 CA TYR A 60 -7.518 -3.326 25.327 1.00 34.98 C ATOM 891 C TYR A 60 -9.030 -3.430 25.120 1.00 34.65 C ATOM 892 O TYR A 60 -9.700 -2.431 24.873 1.00 34.29 O ATOM 893 CB TYR A 60 -6.858 -3.276 23.945 1.00 30.94 C ATOM 894 CG TYR A 60 -5.342 -3.239 23.899 1.00 25.20 C ATOM 895 CD1 TYR A 60 -4.571 -3.059 25.048 1.00 23.01 C ATOM 896 CD2 TYR A 60 -4.679 -3.363 22.678 1.00 23.67 C ATOM 897 CE1 TYR A 60 -3.168 -3.006 24.972 1.00 21.61 C ATOM 898 CE2 TYR A 60 -3.291 -3.313 22.593 1.00 22.13 C ATOM 899 CZ TYR A 60 -2.540 -3.136 23.734 1.00 21.90 C ATOM 900 OH TYR A 60 -1.172 -3.101 23.610 1.00 20.59 O ATOM 901 HA TYR A 60 -7.233 -2.430 25.878 1.00 0.00 H ATOM 902 HB3 TYR A 60 -7.223 -2.382 23.440 1.00 0.00 H ATOM 903 HB2 TYR A 60 -7.181 -4.160 23.395 1.00 0.00 H ATOM 904 HD2 TYR A 60 -5.263 -3.503 21.768 1.00 0.00 H ATOM 905 HE2 TYR A 60 -2.799 -3.414 21.626 1.00 0.00 H ATOM 906 HE1 TYR A 60 -2.575 -2.864 25.875 1.00 0.00 H ATOM 907 HD1 TYR A 60 -5.062 -2.958 26.016 1.00 0.00 H ATOM 908 HH TYR A 60 -0.855 -3.956 23.224 1.00 0.00 H ATOM 909 H TYR A 60 -6.652 -5.301 25.605 1.00 0.00 H ATOM 910 N GLY A 61 -9.544 -4.654 25.219 1.00 35.30 N ATOM 911 CA GLY A 61 -10.962 -4.931 25.021 1.00 37.56 C ATOM 912 C GLY A 61 -11.990 -3.892 25.439 1.00 38.99 C ATOM 913 O GLY A 61 -12.703 -3.347 24.595 1.00 39.57 O ATOM 914 HA3 GLY A 61 -11.188 -5.843 25.574 1.00 0.00 H ATOM 915 HA2 GLY A 61 -11.105 -5.109 23.955 1.00 0.00 H ATOM 916 H GLY A 61 -8.908 -5.445 25.447 1.00 0.00 H ATOM 917 N PRO A 62 -12.104 -3.608 26.741 1.00 40.69 N ATOM 918 CA PRO A 62 -13.054 -2.629 27.278 1.00 41.10 C ATOM 919 C PRO A 62 -13.085 -1.293 26.532 1.00 41.37 C ATOM 920 O PRO A 62 -14.137 -0.856 26.069 1.00 41.63 O ATOM 921 CB PRO A 62 -12.589 -2.467 28.722 1.00 42.30 C ATOM 922 CG PRO A 62 -12.093 -3.840 29.058 1.00 42.41 C ATOM 923 CD PRO A 62 -11.308 -4.217 27.823 1.00 41.77 C ATOM 924 HA PRO A 62 -14.083 -2.973 27.176 1.00 0.00 H ATOM 925 HD3 PRO A 62 -10.301 -3.801 27.854 1.00 0.00 H ATOM 926 HD2 PRO A 62 -11.249 -5.299 27.708 1.00 0.00 H ATOM 927 HG3 PRO A 62 -12.922 -4.529 29.224 1.00 0.00 H ATOM 928 HG2 PRO A 62 -11.454 -3.823 29.941 1.00 0.00 H ATOM 929 HB2 PRO A 62 -11.790 -1.729 28.799 1.00 0.00 H ATOM 930 HB3 PRO A 62 -13.414 -2.176 29.372 1.00 0.00 H ATOM 931 N ALA A 63 -11.927 -0.649 26.419 1.00 41.39 N ATOM 932 CA ALA A 63 -11.829 0.648 25.756 1.00 41.28 C ATOM 933 C ALA A 63 -12.073 0.630 24.246 1.00 40.72 C ATOM 934 O ALA A 63 -12.476 1.644 23.667 1.00 40.69 O ATOM 935 CB ALA A 63 -10.464 1.273 26.052 1.00 40.96 C ATOM 936 HA ALA A 63 -12.640 1.247 26.170 1.00 0.00 H ATOM 937 HB1 ALA A 63 -10.352 1.406 27.128 1.00 0.00 H ATOM 938 HB2 ALA A 63 -9.677 0.616 25.682 1.00 0.00 H ATOM 939 HB3 ALA A 63 -10.394 2.241 25.556 1.00 0.00 H ATOM 940 H ALA A 63 -11.067 -1.081 26.814 1.00 0.00 H ATOM 941 N LEU A 64 -11.839 -0.515 23.612 1.00 40.49 N ATOM 942 CA LEU A 64 -12.010 -0.632 22.168 1.00 40.98 C ATOM 943 C LEU A 64 -13.367 -1.173 21.720 1.00 42.70 C ATOM 944 O LEU A 64 -13.506 -1.659 20.594 1.00 42.42 O ATOM 945 CB LEU A 64 -10.894 -1.506 21.573 1.00 37.90 C ATOM 946 CG LEU A 64 -9.476 -0.921 21.512 1.00 36.77 C ATOM 947 CD1 LEU A 64 -8.530 -1.940 20.897 1.00 35.94 C ATOM 948 CD2 LEU A 64 -9.465 0.359 20.696 1.00 33.54 C ATOM 949 HA LEU A 64 -11.956 0.390 21.792 1.00 0.00 H ATOM 950 HB2 LEU A 64 -10.844 -2.418 22.168 1.00 0.00 H ATOM 951 HB3 LEU A 64 -11.186 -1.755 20.553 1.00 0.00 H ATOM 952 HG LEU A 64 -9.146 -0.688 22.524 1.00 0.00 H ATOM 953 HD21 LEU A 64 -9.805 0.145 19.683 1.00 0.00 H ATOM 954 HD22 LEU A 64 -10.131 1.088 21.158 1.00 0.00 H ATOM 955 HD23 LEU A 64 -8.452 0.759 20.664 1.00 0.00 H ATOM 956 HD11 LEU A 64 -8.524 -2.843 21.507 1.00 0.00 H ATOM 957 HD12 LEU A 64 -8.866 -2.184 19.889 1.00 0.00 H ATOM 958 HD13 LEU A 64 -7.524 -1.521 20.855 1.00 0.00 H ATOM 959 H LEU A 64 -11.528 -1.344 24.157 1.00 0.00 H ATOM 960 N LYS A 65 -14.374 -1.093 22.583 1.00 44.18 N ATOM 961 CA LYS A 65 -15.686 -1.591 22.195 1.00 45.60 C ATOM 962 C LYS A 65 -16.373 -0.568 21.298 1.00 44.75 C ATOM 963 O LYS A 65 -17.299 -0.900 20.559 1.00 45.37 O ATOM 964 CB LYS A 65 -16.549 -1.900 23.425 1.00 46.71 C ATOM 965 CG LYS A 65 -16.865 -0.716 24.310 1.00 49.44 C ATOM 966 CD LYS A 65 -17.780 -1.131 25.462 1.00 52.79 C ATOM 967 CE LYS A 65 -17.133 -2.201 26.343 1.00 53.91 C ATOM 968 NZ LYS A 65 -18.012 -2.623 27.472 1.00 54.53 N ATOM 969 HA LYS A 65 -15.557 -2.523 21.644 1.00 0.00 H ATOM 970 HB2 LYS A 65 -17.492 -2.321 23.077 1.00 0.00 H ATOM 971 HB3 LYS A 65 -16.023 -2.640 24.028 1.00 0.00 H ATOM 972 HG2 LYS A 65 -15.937 -0.315 24.717 1.00 0.00 H ATOM 973 HG3 LYS A 65 -17.362 0.052 23.717 1.00 0.00 H ATOM 974 HD2 LYS A 65 -17.998 -0.255 26.073 1.00 0.00 H ATOM 975 HD3 LYS A 65 -18.709 -1.526 25.051 1.00 0.00 H ATOM 976 HE2 LYS A 65 -16.205 -1.802 26.753 1.00 0.00 H ATOM 977 HE3 LYS A 65 -16.912 -3.073 25.728 1.00 0.00 H ATOM 978 HZ1 LYS A 65 -18.223 -1.800 28.072 1.00 0.00 H ATOM 979 HZ2 LYS A 65 -18.898 -3.014 27.093 1.00 0.00 H ATOM 980 HZ3 LYS A 65 -17.525 -3.348 28.036 1.00 0.00 H ATOM 981 H LYS A 65 -14.227 -0.679 23.526 1.00 0.00 H ATOM 982 N ASN A 66 -15.899 0.671 21.355 1.00 43.57 N ATOM 983 CA ASN A 66 -16.453 1.744 20.538 1.00 42.48 C ATOM 984 C ASN A 66 -15.381 2.253 19.591 1.00 40.15 C ATOM 985 O ASN A 66 -15.354 3.433 19.238 1.00 38.51 O ATOM 986 CB ASN A 66 -16.930 2.892 21.427 1.00 45.20 C ATOM 987 CG ASN A 66 -18.156 2.529 22.238 1.00 47.21 C ATOM 988 OD1 ASN A 66 -18.187 1.501 22.920 1.00 48.84 O ATOM 989 ND2 ASN A 66 -19.178 3.377 22.172 1.00 48.20 N ATOM 990 HA ASN A 66 -17.301 1.360 19.970 1.00 0.00 H ATOM 991 HB2 ASN A 66 -16.126 3.162 22.111 1.00 0.00 H ATOM 992 HB3 ASN A 66 -17.170 3.747 20.795 1.00 0.00 H ATOM 993 HD22 ASN A 66 -19.107 4.232 21.584 1.00 0.00 H ATOM 994 HD21 ASN A 66 -20.048 3.186 22.709 1.00 0.00 H ATOM 995 H ASN A 66 -15.111 0.882 22.000 1.00 0.00 H ATOM 996 N TRP A 67 -14.502 1.355 19.173 1.00 38.42 N ATOM 997 CA TRP A 67 -13.415 1.734 18.289 1.00 38.06 C ATOM 998 C TRP A 67 -13.870 2.396 16.992 1.00 39.05 C ATOM 999 O TRP A 67 -13.254 3.365 16.542 1.00 38.66 O ATOM 1000 CB TRP A 67 -12.541 0.519 17.959 1.00 35.54 C ATOM 1001 CG TRP A 67 -13.175 -0.480 17.028 1.00 33.53 C ATOM 1002 CD1 TRP A 67 -13.991 -1.520 17.368 1.00 32.48 C ATOM 1003 CD2 TRP A 67 -13.029 -0.534 15.603 1.00 33.08 C ATOM 1004 NE1 TRP A 67 -14.357 -2.221 16.246 1.00 33.08 N ATOM 1005 CE2 TRP A 67 -13.781 -1.637 15.148 1.00 33.08 C ATOM 1006 CE3 TRP A 67 -12.334 0.245 14.664 1.00 33.27 C ATOM 1007 CZ2 TRP A 67 -13.858 -1.986 13.791 1.00 34.27 C ATOM 1008 CZ3 TRP A 67 -12.411 -0.103 13.315 1.00 32.61 C ATOM 1009 CH2 TRP A 67 -13.166 -1.209 12.893 1.00 33.55 C ATOM 1010 HA TRP A 67 -12.841 2.480 18.838 1.00 0.00 H ATOM 1011 HB2 TRP A 67 -11.621 0.878 17.497 1.00 0.00 H ATOM 1012 HB3 TRP A 67 -12.302 0.009 18.892 1.00 0.00 H ATOM 1013 HE1 TRP A 67 -14.972 -3.060 16.231 1.00 0.00 H ATOM 1014 HD1 TRP A 67 -14.306 -1.759 18.384 1.00 0.00 H ATOM 1015 HZ2 TRP A 67 -14.446 -2.843 13.461 1.00 0.00 H ATOM 1016 HH2 TRP A 67 -13.204 -1.456 11.832 1.00 0.00 H ATOM 1017 HZ3 TRP A 67 -11.876 0.494 12.576 1.00 0.00 H ATOM 1018 HE3 TRP A 67 -11.745 1.105 14.983 1.00 0.00 H ATOM 1019 H TRP A 67 -14.592 0.366 19.482 1.00 0.00 H ATOM 1020 N LYS A 68 -14.943 1.883 16.394 1.00 40.10 N ATOM 1021 CA LYS A 68 -15.438 2.429 15.130 1.00 42.82 C ATOM 1022 C LYS A 68 -15.777 3.912 15.212 1.00 43.62 C ATOM 1023 O LYS A 68 -15.897 4.580 14.188 1.00 43.75 O ATOM 1024 CB LYS A 68 -16.660 1.635 14.645 1.00 42.63 C ATOM 1025 CG LYS A 68 -16.340 0.193 14.258 1.00 43.51 C ATOM 1026 CD LYS A 68 -17.588 -0.610 13.931 1.00 44.91 C ATOM 1027 CE LYS A 68 -18.307 -0.033 12.728 1.00 47.72 C ATOM 1028 NZ LYS A 68 -19.520 -0.815 12.353 1.00 48.77 N ATOM 1029 HA LYS A 68 -14.625 2.329 14.410 1.00 0.00 H ATOM 1030 HB2 LYS A 68 -17.401 1.621 15.444 1.00 0.00 H ATOM 1031 HB3 LYS A 68 -17.076 2.141 13.774 1.00 0.00 H ATOM 1032 HG2 LYS A 68 -15.690 0.201 13.383 1.00 0.00 H ATOM 1033 HG3 LYS A 68 -15.823 -0.286 15.089 1.00 0.00 H ATOM 1034 HD2 LYS A 68 -17.303 -1.640 13.716 1.00 0.00 H ATOM 1035 HD3 LYS A 68 -18.259 -0.592 14.790 1.00 0.00 H ATOM 1036 HE2 LYS A 68 -17.621 -0.026 11.881 1.00 0.00 H ATOM 1037 HE3 LYS A 68 -18.608 0.989 12.958 1.00 0.00 H ATOM 1038 HZ1 LYS A 68 -19.244 -1.791 12.122 1.00 0.00 H ATOM 1039 HZ2 LYS A 68 -20.187 -0.821 13.151 1.00 0.00 H ATOM 1040 HZ3 LYS A 68 -19.972 -0.376 11.525 1.00 0.00 H ATOM 1041 H LYS A 68 -15.438 1.080 16.833 1.00 0.00 H ATOM 1042 N ARG A 69 -15.912 4.429 16.429 1.00 45.53 N ATOM 1043 CA ARG A 69 -16.239 5.836 16.614 1.00 47.58 C ATOM 1044 C ARG A 69 -15.290 6.619 17.526 1.00 46.55 C ATOM 1045 O ARG A 69 -15.465 7.823 17.710 1.00 47.23 O ATOM 1046 CB ARG A 69 -17.672 5.964 17.136 1.00 50.85 C ATOM 1047 CG ARG A 69 -18.600 6.672 16.164 1.00 56.45 C ATOM 1048 CD ARG A 69 -20.044 6.645 16.640 1.00 61.12 C ATOM 1049 NE ARG A 69 -20.940 7.316 15.697 1.00 65.38 N ATOM 1050 CZ ARG A 69 -22.265 7.356 15.818 1.00 66.88 C ATOM 1051 NH1 ARG A 69 -22.858 6.760 16.846 1.00 67.15 N ATOM 1052 NH2 ARG A 69 -22.998 7.995 14.911 1.00 66.64 N ATOM 1053 HA ARG A 69 -16.127 6.288 15.628 1.00 0.00 H ATOM 1054 HB2 ARG A 69 -18.064 4.964 17.324 1.00 0.00 H ATOM 1055 HB3 ARG A 69 -17.652 6.527 18.069 1.00 0.00 H ATOM 1056 HG2 ARG A 69 -18.281 7.709 16.063 1.00 0.00 H ATOM 1057 HG3 ARG A 69 -18.539 6.178 15.194 1.00 0.00 H ATOM 1058 HD2 ARG A 69 -20.107 7.147 17.605 1.00 0.00 H ATOM 1059 HD3 ARG A 69 -20.360 5.608 16.750 1.00 0.00 H ATOM 1060 HE ARG A 69 -20.513 7.793 14.878 1.00 0.00 H ATOM 1061 HH12 ARG A 69 -23.893 6.792 16.939 1.00 0.00 H ATOM 1062 HH11 ARG A 69 -22.287 6.261 17.558 1.00 0.00 H ATOM 1063 HH22 ARG A 69 -24.033 8.026 15.007 1.00 0.00 H ATOM 1064 HH21 ARG A 69 -22.536 8.464 14.106 1.00 0.00 H ATOM 1065 H ARG A 69 -15.782 3.820 17.262 1.00 0.00 H ATOM 1066 N ASP A 70 -14.291 5.951 18.096 1.00 44.92 N ATOM 1067 CA ASP A 70 -13.349 6.632 18.981 1.00 42.08 C ATOM 1068 C ASP A 70 -11.887 6.330 18.681 1.00 39.03 C ATOM 1069 O ASP A 70 -10.994 6.921 19.288 1.00 38.87 O ATOM 1070 CB ASP A 70 -13.632 6.272 20.443 1.00 44.49 C ATOM 1071 CG ASP A 70 -15.015 6.713 20.905 1.00 47.00 C ATOM 1072 OD1 ASP A 70 -15.454 7.825 20.528 1.00 46.34 O ATOM 1073 OD2 ASP A 70 -15.654 5.950 21.661 1.00 48.05 O ATOM 1074 HA ASP A 70 -13.504 7.696 18.802 1.00 0.00 H ATOM 1075 HB2 ASP A 70 -13.556 5.191 20.556 1.00 0.00 H ATOM 1076 HB3 ASP A 70 -12.884 6.756 21.072 1.00 0.00 H ATOM 1077 H ASP A 70 -14.179 4.934 17.910 1.00 0.00 H ATOM 1078 N LEU A 71 -11.640 5.419 17.747 1.00 35.19 N ATOM 1079 CA LEU A 71 -10.274 5.048 17.414 1.00 32.46 C ATOM 1080 C LEU A 71 -9.441 6.275 17.076 1.00 31.24 C ATOM 1081 O LEU A 71 -8.289 6.385 17.494 1.00 31.61 O ATOM 1082 CB LEU A 71 -10.252 4.060 16.244 1.00 30.17 C ATOM 1083 CG LEU A 71 -8.907 3.354 16.048 1.00 29.33 C ATOM 1084 CD1 LEU A 71 -8.566 2.594 17.306 1.00 29.48 C ATOM 1085 CD2 LEU A 71 -8.957 2.411 14.870 1.00 27.22 C ATOM 1086 HA LEU A 71 -9.838 4.566 18.289 1.00 0.00 H ATOM 1087 HB2 LEU A 71 -11.015 3.302 16.421 1.00 0.00 H ATOM 1088 HB3 LEU A 71 -10.489 4.605 15.330 1.00 0.00 H ATOM 1089 HG LEU A 71 -8.140 4.101 15.845 1.00 0.00 H ATOM 1090 HD21 LEU A 71 -9.726 1.658 15.042 1.00 0.00 H ATOM 1091 HD22 LEU A 71 -9.192 2.973 13.966 1.00 0.00 H ATOM 1092 HD23 LEU A 71 -7.989 1.924 14.755 1.00 0.00 H ATOM 1093 HD11 LEU A 71 -8.499 3.290 18.142 1.00 0.00 H ATOM 1094 HD12 LEU A 71 -9.344 1.857 17.506 1.00 0.00 H ATOM 1095 HD13 LEU A 71 -7.609 2.088 17.175 1.00 0.00 H ATOM 1096 H LEU A 71 -12.432 4.966 17.248 1.00 0.00 H ATOM 1097 N SER A 72 -10.026 7.203 16.330 1.00 31.19 N ATOM 1098 CA SER A 72 -9.325 8.421 15.945 1.00 30.45 C ATOM 1099 C SER A 72 -8.955 9.277 17.140 1.00 30.26 C ATOM 1100 O SER A 72 -7.886 9.891 17.165 1.00 29.08 O ATOM 1101 CB SER A 72 -10.168 9.230 14.970 1.00 31.57 C ATOM 1102 OG SER A 72 -9.979 8.738 13.657 1.00 34.64 O ATOM 1103 HA SER A 72 -8.397 8.115 15.462 1.00 0.00 H ATOM 1104 HB2 SER A 72 -9.867 10.277 15.012 1.00 0.00 H ATOM 1105 HB3 SER A 72 -11.220 9.144 15.242 1.00 0.00 H ATOM 1106 HG SER A 72 -10.529 9.266 13.026 1.00 0.00 H ATOM 1107 H SER A 72 -11.006 7.058 16.013 1.00 0.00 H ATOM 1108 N LYS A 73 -9.843 9.320 18.128 1.00 29.65 N ATOM 1109 CA LYS A 73 -9.589 10.083 19.339 1.00 29.00 C ATOM 1110 C LYS A 73 -8.386 9.465 20.050 1.00 28.16 C ATOM 1111 O LYS A 73 -7.512 10.175 20.549 1.00 28.82 O ATOM 1112 CB LYS A 73 -10.804 10.041 20.263 1.00 31.39 C ATOM 1113 CG LYS A 73 -12.045 10.750 19.720 1.00 37.53 C ATOM 1114 CD LYS A 73 -13.142 10.840 20.794 1.00 41.16 C ATOM 1115 CE LYS A 73 -12.647 11.599 22.036 1.00 42.41 C ATOM 1116 NZ LYS A 73 -13.614 11.557 23.172 1.00 44.12 N ATOM 1117 HA LYS A 73 -9.390 11.123 19.081 1.00 0.00 H ATOM 1118 HB2 LYS A 73 -11.060 8.996 20.440 1.00 0.00 H ATOM 1119 HB3 LYS A 73 -10.529 10.512 21.207 1.00 0.00 H ATOM 1120 HG2 LYS A 73 -11.771 11.757 19.404 1.00 0.00 H ATOM 1121 HG3 LYS A 73 -12.428 10.194 18.864 1.00 0.00 H ATOM 1122 HD2 LYS A 73 -14.004 11.362 20.379 1.00 0.00 H ATOM 1123 HD3 LYS A 73 -13.436 9.832 21.087 1.00 0.00 H ATOM 1124 HE2 LYS A 73 -12.478 12.640 21.762 1.00 0.00 H ATOM 1125 HE3 LYS A 73 -11.707 11.154 22.363 1.00 0.00 H ATOM 1126 HZ1 LYS A 73 -14.513 11.988 22.876 1.00 0.00 H ATOM 1127 HZ2 LYS A 73 -13.777 10.568 23.451 1.00 0.00 H ATOM 1128 HZ3 LYS A 73 -13.223 12.086 23.978 1.00 0.00 H ATOM 1129 H LYS A 73 -10.737 8.797 18.033 1.00 0.00 H ATOM 1130 N LEU A 74 -8.356 8.136 20.088 1.00 25.67 N ATOM 1131 CA LEU A 74 -7.275 7.391 20.721 1.00 24.22 C ATOM 1132 C LEU A 74 -5.919 7.666 20.061 1.00 23.04 C ATOM 1133 O LEU A 74 -4.925 7.866 20.752 1.00 21.19 O ATOM 1134 CB LEU A 74 -7.575 5.889 20.664 1.00 24.51 C ATOM 1135 CG LEU A 74 -6.526 4.955 21.278 1.00 24.90 C ATOM 1136 CD1 LEU A 74 -6.444 5.182 22.771 1.00 24.91 C ATOM 1137 CD2 LEU A 74 -6.890 3.513 20.997 1.00 26.75 C ATOM 1138 HA LEU A 74 -7.214 7.723 21.757 1.00 0.00 H ATOM 1139 HB2 LEU A 74 -8.516 5.719 21.188 1.00 0.00 H ATOM 1140 HB3 LEU A 74 -7.690 5.614 19.615 1.00 0.00 H ATOM 1141 HG LEU A 74 -5.556 5.171 20.831 1.00 0.00 H ATOM 1142 HD21 LEU A 74 -7.865 3.294 21.432 1.00 0.00 H ATOM 1143 HD22 LEU A 74 -6.928 3.352 19.920 1.00 0.00 H ATOM 1144 HD23 LEU A 74 -6.139 2.858 21.437 1.00 0.00 H ATOM 1145 HD11 LEU A 74 -6.162 6.217 22.965 1.00 0.00 H ATOM 1146 HD12 LEU A 74 -7.415 4.978 23.222 1.00 0.00 H ATOM 1147 HD13 LEU A 74 -5.696 4.514 23.198 1.00 0.00 H ATOM 1148 H LEU A 74 -9.136 7.607 19.648 1.00 0.00 H ATOM 1149 N PHE A 75 -5.878 7.675 18.729 1.00 22.44 N ATOM 1150 CA PHE A 75 -4.626 7.925 18.008 1.00 22.16 C ATOM 1151 C PHE A 75 -4.120 9.354 18.185 1.00 22.97 C ATOM 1152 O PHE A 75 -2.910 9.583 18.294 1.00 24.63 O ATOM 1153 CB PHE A 75 -4.796 7.623 16.520 1.00 19.52 C ATOM 1154 CG PHE A 75 -4.987 6.166 16.211 1.00 19.70 C ATOM 1155 CD1 PHE A 75 -5.490 5.769 14.971 1.00 23.06 C ATOM 1156 CD2 PHE A 75 -4.651 5.188 17.139 1.00 17.36 C ATOM 1157 CE1 PHE A 75 -5.654 4.416 14.664 1.00 20.28 C ATOM 1158 CE2 PHE A 75 -4.807 3.842 16.846 1.00 19.60 C ATOM 1159 CZ PHE A 75 -5.310 3.453 15.604 1.00 21.96 C ATOM 1160 HA PHE A 75 -3.881 7.257 18.439 1.00 0.00 H ATOM 1161 HB2 PHE A 75 -5.667 8.168 16.157 1.00 0.00 H ATOM 1162 HB3 PHE A 75 -3.906 7.971 15.995 1.00 0.00 H ATOM 1163 HD2 PHE A 75 -4.259 5.484 18.112 1.00 0.00 H ATOM 1164 HE2 PHE A 75 -4.537 3.088 17.585 1.00 0.00 H ATOM 1165 HZ PHE A 75 -5.433 2.395 15.372 1.00 0.00 H ATOM 1166 HE1 PHE A 75 -6.049 4.118 13.693 1.00 0.00 H ATOM 1167 HD1 PHE A 75 -5.758 6.524 14.233 1.00 0.00 H ATOM 1168 H PHE A 75 -6.751 7.501 18.191 1.00 0.00 H ATOM 1169 N THR A 76 -5.037 10.319 18.195 1.00 22.36 N ATOM 1170 CA THR A 76 -4.642 11.712 18.394 1.00 23.35 C ATOM 1171 C THR A 76 -4.027 11.832 19.788 1.00 22.36 C ATOM 1172 O THR A 76 -2.925 12.360 19.952 1.00 24.57 O ATOM 1173 CB THR A 76 -5.842 12.672 18.314 1.00 24.39 C ATOM 1174 OG1 THR A 76 -6.394 12.641 16.993 1.00 27.06 O ATOM 1175 CG2 THR A 76 -5.402 14.094 18.640 1.00 23.02 C ATOM 1176 HA THR A 76 -3.938 11.984 17.607 1.00 0.00 H ATOM 1177 HB THR A 76 -6.594 12.355 19.037 1.00 0.00 H ATOM 1178 HG1 THR A 76 -6.693 11.721 16.783 1.00 0.00 H ATOM 1179 HG23 THR A 76 -4.981 14.121 19.645 1.00 0.00 H ATOM 1180 HG21 THR A 76 -4.648 14.414 17.920 1.00 0.00 H ATOM 1181 HG22 THR A 76 -6.263 14.761 18.587 1.00 0.00 H ATOM 1182 H THR A 76 -6.040 10.080 18.060 1.00 0.00 H ATOM 1183 N SER A 77 -4.745 11.320 20.782 1.00 19.54 N ATOM 1184 CA SER A 77 -4.296 11.346 22.164 1.00 20.71 C ATOM 1185 C SER A 77 -2.994 10.570 22.391 1.00 20.21 C ATOM 1186 O SER A 77 -2.214 10.906 23.276 1.00 20.37 O ATOM 1187 CB SER A 77 -5.390 10.781 23.070 1.00 22.74 C ATOM 1188 OG SER A 77 -4.908 10.595 24.391 1.00 25.27 O ATOM 1189 HA SER A 77 -4.092 12.388 22.409 1.00 0.00 H ATOM 1190 HB2 SER A 77 -5.723 9.822 22.673 1.00 0.00 H ATOM 1191 HB3 SER A 77 -6.230 11.475 23.091 1.00 0.00 H ATOM 1192 HG SER A 77 -4.147 9.962 24.377 1.00 0.00 H ATOM 1193 H SER A 77 -5.663 10.884 20.563 1.00 0.00 H ATOM 1194 N LEU A 78 -2.767 9.527 21.602 1.00 20.03 N ATOM 1195 CA LEU A 78 -1.554 8.728 21.742 1.00 20.55 C ATOM 1196 C LEU A 78 -0.315 9.549 21.367 1.00 21.00 C ATOM 1197 O LEU A 78 0.772 9.335 21.902 1.00 22.02 O ATOM 1198 CB LEU A 78 -1.643 7.485 20.848 1.00 18.46 C ATOM 1199 CG LEU A 78 -0.492 6.476 20.889 1.00 19.96 C ATOM 1200 CD1 LEU A 78 -0.301 5.950 22.313 1.00 17.41 C ATOM 1201 CD2 LEU A 78 -0.799 5.320 19.927 1.00 19.71 C ATOM 1202 HA LEU A 78 -1.463 8.420 22.784 1.00 0.00 H ATOM 1203 HB2 LEU A 78 -2.551 6.951 21.128 1.00 0.00 H ATOM 1204 HB3 LEU A 78 -1.730 7.833 19.819 1.00 0.00 H ATOM 1205 HG LEU A 78 0.432 6.965 20.579 1.00 0.00 H ATOM 1206 HD21 LEU A 78 -1.725 4.832 20.231 1.00 0.00 H ATOM 1207 HD22 LEU A 78 -0.908 5.710 18.915 1.00 0.00 H ATOM 1208 HD23 LEU A 78 0.019 4.600 19.954 1.00 0.00 H ATOM 1209 HD11 LEU A 78 -0.071 6.782 22.978 1.00 0.00 H ATOM 1210 HD12 LEU A 78 -1.217 5.461 22.644 1.00 0.00 H ATOM 1211 HD13 LEU A 78 0.520 5.234 22.327 1.00 0.00 H ATOM 1212 H LEU A 78 -3.464 9.275 20.873 1.00 0.00 H ATOM 1213 N PHE A 79 -0.488 10.495 20.451 1.00 22.67 N ATOM 1214 CA PHE A 79 0.623 11.325 20.002 1.00 24.62 C ATOM 1215 C PHE A 79 0.460 12.812 20.323 1.00 24.07 C ATOM 1216 O PHE A 79 1.133 13.653 19.739 1.00 21.80 O ATOM 1217 CB PHE A 79 0.826 11.136 18.495 1.00 23.24 C ATOM 1218 CG PHE A 79 1.140 9.719 18.103 1.00 24.62 C ATOM 1219 CD1 PHE A 79 0.193 8.938 17.445 1.00 21.95 C ATOM 1220 CD2 PHE A 79 2.375 9.153 18.421 1.00 24.26 C ATOM 1221 CE1 PHE A 79 0.468 7.614 17.108 1.00 21.90 C ATOM 1222 CE2 PHE A 79 2.660 7.826 18.088 1.00 23.70 C ATOM 1223 CZ PHE A 79 1.702 7.057 17.432 1.00 23.17 C ATOM 1224 HA PHE A 79 1.500 10.992 20.557 1.00 0.00 H ATOM 1225 HB2 PHE A 79 -0.087 11.441 17.983 1.00 0.00 H ATOM 1226 HB3 PHE A 79 1.651 11.773 18.176 1.00 0.00 H ATOM 1227 HD2 PHE A 79 3.126 9.753 18.935 1.00 0.00 H ATOM 1228 HE2 PHE A 79 3.629 7.394 18.341 1.00 0.00 H ATOM 1229 HZ PHE A 79 1.918 6.021 17.173 1.00 0.00 H ATOM 1230 HE1 PHE A 79 -0.282 7.015 16.591 1.00 0.00 H ATOM 1231 HD1 PHE A 79 -0.776 9.368 17.190 1.00 0.00 H ATOM 1232 H PHE A 79 -1.434 10.646 20.046 1.00 0.00 H ATOM 1233 N VAL A 80 -0.419 13.124 21.270 1.00 27.13 N ATOM 1234 CA VAL A 80 -0.674 14.511 21.650 1.00 27.82 C ATOM 1235 C VAL A 80 0.555 15.293 22.129 1.00 28.27 C ATOM 1236 O VAL A 80 0.763 16.431 21.708 1.00 29.23 O ATOM 1237 CB VAL A 80 -1.771 14.601 22.742 1.00 26.58 C ATOM 1238 CG1 VAL A 80 -1.225 14.159 24.092 1.00 25.94 C ATOM 1239 CG2 VAL A 80 -2.292 16.008 22.816 1.00 26.95 C ATOM 1240 HA VAL A 80 -1.003 14.979 20.722 1.00 0.00 H ATOM 1241 HB VAL A 80 -2.590 13.932 22.478 1.00 0.00 H ATOM 1242 HG11 VAL A 80 -0.880 13.127 24.023 1.00 0.00 H ATOM 1243 HG12 VAL A 80 -0.393 14.804 24.375 1.00 0.00 H ATOM 1244 HG13 VAL A 80 -2.013 14.231 24.842 1.00 0.00 H ATOM 1245 HG21 VAL A 80 -1.474 16.684 23.066 1.00 0.00 H ATOM 1246 HG22 VAL A 80 -2.715 16.288 21.852 1.00 0.00 H ATOM 1247 HG23 VAL A 80 -3.063 16.069 23.584 1.00 0.00 H ATOM 1248 H VAL A 80 -0.938 12.362 21.752 1.00 0.00 H ATOM 1249 N ASP A 81 1.373 14.693 22.991 1.00 27.60 N ATOM 1250 CA ASP A 81 2.553 15.388 23.514 1.00 27.37 C ATOM 1251 C ASP A 81 3.877 15.076 22.810 1.00 25.79 C ATOM 1252 O ASP A 81 4.827 15.848 22.915 1.00 25.13 O ATOM 1253 CB ASP A 81 2.710 15.111 25.016 1.00 28.64 C ATOM 1254 CG ASP A 81 2.838 13.623 25.328 1.00 30.60 C ATOM 1255 OD1 ASP A 81 3.231 13.273 26.459 1.00 33.40 O ATOM 1256 OD2 ASP A 81 2.537 12.800 24.441 1.00 32.03 O ATOM 1257 HA ASP A 81 2.355 16.441 23.315 1.00 0.00 H ATOM 1258 HB2 ASP A 81 3.604 15.621 25.374 1.00 0.00 H ATOM 1259 HB3 ASP A 81 1.837 15.503 25.537 1.00 0.00 H ATOM 1260 H ASP A 81 1.172 13.719 23.297 1.00 0.00 H ATOM 1261 N VAL A 82 3.946 13.948 22.108 1.00 25.39 N ATOM 1262 CA VAL A 82 5.170 13.561 21.403 1.00 26.23 C ATOM 1263 C VAL A 82 4.975 12.310 20.545 1.00 26.48 C ATOM 1264 O VAL A 82 3.919 11.673 20.567 1.00 26.14 O ATOM 1265 CB VAL A 82 6.348 13.297 22.400 1.00 26.73 C ATOM 1266 CG1 VAL A 82 6.183 11.940 23.081 1.00 26.00 C ATOM 1267 CG2 VAL A 82 7.680 13.371 21.671 1.00 24.41 C ATOM 1268 HA VAL A 82 5.415 14.402 20.754 1.00 0.00 H ATOM 1269 HB VAL A 82 6.330 14.068 23.170 1.00 0.00 H ATOM 1270 HG11 VAL A 82 5.243 11.924 23.632 1.00 0.00 H ATOM 1271 HG12 VAL A 82 6.176 11.154 22.326 1.00 0.00 H ATOM 1272 HG13 VAL A 82 7.012 11.777 23.769 1.00 0.00 H ATOM 1273 HG21 VAL A 82 7.704 12.618 20.883 1.00 0.00 H ATOM 1274 HG22 VAL A 82 7.798 14.362 21.233 1.00 0.00 H ATOM 1275 HG23 VAL A 82 8.490 13.185 22.377 1.00 0.00 H ATOM 1276 H VAL A 82 3.113 13.328 22.059 1.00 0.00 H ATOM 1277 N ILE A 83 6.009 11.972 19.786 1.00 25.51 N ATOM 1278 CA ILE A 83 5.987 10.804 18.926 1.00 24.49 C ATOM 1279 C ILE A 83 7.321 10.085 19.020 1.00 24.37 C ATOM 1280 O ILE A 83 8.381 10.698 18.887 1.00 25.31 O ATOM 1281 CB ILE A 83 5.753 11.190 17.445 1.00 25.67 C ATOM 1282 CG1 ILE A 83 4.394 11.875 17.294 1.00 26.31 C ATOM 1283 CG2 ILE A 83 5.817 9.948 16.564 1.00 21.98 C ATOM 1284 CD1 ILE A 83 4.161 12.460 15.923 1.00 28.57 C ATOM 1285 HA ILE A 83 5.169 10.164 19.258 1.00 0.00 H ATOM 1286 HB ILE A 83 6.534 11.882 17.131 1.00 0.00 H ATOM 1287 HG12 ILE A 83 3.614 11.140 17.493 1.00 0.00 H ATOM 1288 HG13 ILE A 83 4.330 12.679 18.027 1.00 0.00 H ATOM 1289 HD11 ILE A 83 4.927 13.206 15.713 1.00 0.00 H ATOM 1290 HD12 ILE A 83 4.211 11.666 15.178 1.00 0.00 H ATOM 1291 HD13 ILE A 83 3.177 12.929 15.892 1.00 0.00 H ATOM 1292 HG21 ILE A 83 6.798 9.484 16.663 1.00 0.00 H ATOM 1293 HG22 ILE A 83 5.047 9.242 16.876 1.00 0.00 H ATOM 1294 HG23 ILE A 83 5.651 10.232 15.525 1.00 0.00 H ATOM 1295 H ILE A 83 6.864 12.564 19.808 1.00 0.00 H ATOM 1296 N ASN A 84 7.263 8.786 19.278 1.00 23.65 N ATOM 1297 CA ASN A 84 8.460 7.971 19.347 1.00 20.93 C ATOM 1298 C ASN A 84 8.110 6.590 18.804 1.00 20.40 C ATOM 1299 O ASN A 84 6.936 6.279 18.601 1.00 20.44 O ATOM 1300 CB ASN A 84 9.001 7.889 20.785 1.00 20.68 C ATOM 1301 CG ASN A 84 7.956 7.430 21.798 1.00 22.95 C ATOM 1302 OD1 ASN A 84 7.234 6.451 21.578 1.00 23.89 O ATOM 1303 ND2 ASN A 84 7.891 8.128 22.930 1.00 20.33 N ATOM 1304 HA ASN A 84 9.253 8.419 18.748 1.00 0.00 H ATOM 1305 HB2 ASN A 84 9.833 7.185 20.802 1.00 0.00 H ATOM 1306 HB3 ASN A 84 9.357 8.877 21.078 1.00 0.00 H ATOM 1307 HD22 ASN A 84 8.518 8.945 23.074 1.00 0.00 H ATOM 1308 HD21 ASN A 84 7.214 7.856 23.671 1.00 0.00 H ATOM 1309 H ASN A 84 6.336 8.341 19.435 1.00 0.00 H ATOM 1310 N SER A 85 9.134 5.787 18.543 1.00 18.54 N ATOM 1311 CA SER A 85 8.972 4.440 18.013 1.00 17.91 C ATOM 1312 C SER A 85 8.047 3.578 18.845 1.00 16.05 C ATOM 1313 O SER A 85 7.246 2.832 18.308 1.00 17.61 O ATOM 1314 CB SER A 85 10.333 3.744 17.936 1.00 16.25 C ATOM 1315 OG SER A 85 11.161 4.388 16.995 1.00 22.36 O ATOM 1316 HA SER A 85 8.526 4.554 17.025 1.00 0.00 H ATOM 1317 HB2 SER A 85 10.189 2.706 17.637 1.00 0.00 H ATOM 1318 HB3 SER A 85 10.809 3.776 18.916 1.00 0.00 H ATOM 1319 HG SER A 85 12.036 3.927 16.957 1.00 0.00 H ATOM 1320 H SER A 85 10.097 6.136 18.725 1.00 0.00 H ATOM 1321 N GLY A 86 8.186 3.679 20.160 1.00 16.04 N ATOM 1322 CA GLY A 86 7.393 2.878 21.064 1.00 15.56 C ATOM 1323 C GLY A 86 5.908 3.115 20.973 1.00 15.94 C ATOM 1324 O GLY A 86 5.125 2.167 21.048 1.00 17.02 O ATOM 1325 HA3 GLY A 86 7.711 3.099 22.083 1.00 0.00 H ATOM 1326 HA2 GLY A 86 7.584 1.828 20.845 1.00 0.00 H ATOM 1327 H GLY A 86 8.880 4.349 20.549 1.00 0.00 H ATOM 1328 N ARG A 87 5.510 4.372 20.827 1.00 15.74 N ATOM 1329 CA ARG A 87 4.090 4.682 20.717 1.00 16.59 C ATOM 1330 C ARG A 87 3.559 4.274 19.359 1.00 16.29 C ATOM 1331 O ARG A 87 2.378 3.944 19.222 1.00 16.18 O ATOM 1332 CB ARG A 87 3.832 6.167 20.933 1.00 16.33 C ATOM 1333 CG ARG A 87 4.124 6.622 22.346 1.00 20.26 C ATOM 1334 CD ARG A 87 3.581 8.020 22.591 1.00 22.26 C ATOM 1335 NE ARG A 87 3.966 8.516 23.908 1.00 23.20 N ATOM 1336 CZ ARG A 87 3.583 9.687 24.404 1.00 23.68 C ATOM 1337 NH1 ARG A 87 2.797 10.482 23.689 1.00 21.15 N ATOM 1338 NH2 ARG A 87 3.999 10.065 25.606 1.00 22.64 N ATOM 1339 HA ARG A 87 3.572 4.119 21.493 1.00 0.00 H ATOM 1340 HB2 ARG A 87 4.465 6.732 20.249 1.00 0.00 H ATOM 1341 HB3 ARG A 87 2.785 6.373 20.712 1.00 0.00 H ATOM 1342 HG2 ARG A 87 3.657 5.930 23.047 1.00 0.00 H ATOM 1343 HG3 ARG A 87 5.202 6.625 22.504 1.00 0.00 H ATOM 1344 HD2 ARG A 87 2.493 7.995 22.525 1.00 0.00 H ATOM 1345 HD3 ARG A 87 3.975 8.693 21.829 1.00 0.00 H ATOM 1346 HE ARG A 87 4.579 7.915 24.495 1.00 0.00 H ATOM 1347 HH12 ARG A 87 2.496 11.399 24.075 1.00 0.00 H ATOM 1348 HH11 ARG A 87 2.482 10.188 22.742 1.00 0.00 H ATOM 1349 HH22 ARG A 87 3.700 10.982 25.995 1.00 0.00 H ATOM 1350 HH21 ARG A 87 4.624 9.445 26.159 1.00 0.00 H ATOM 1351 H ARG A 87 6.213 5.138 20.791 1.00 0.00 H ATOM 1352 N ILE A 88 4.432 4.298 18.353 1.00 14.18 N ATOM 1353 CA ILE A 88 4.027 3.915 17.018 1.00 13.83 C ATOM 1354 C ILE A 88 3.786 2.412 16.990 1.00 14.77 C ATOM 1355 O ILE A 88 2.869 1.948 16.317 1.00 14.53 O ATOM 1356 CB ILE A 88 5.087 4.331 15.968 1.00 14.66 C ATOM 1357 CG1 ILE A 88 5.028 5.849 15.767 1.00 14.51 C ATOM 1358 CG2 ILE A 88 4.832 3.616 14.634 1.00 13.32 C ATOM 1359 CD1 ILE A 88 6.170 6.416 14.955 1.00 12.62 C ATOM 1360 HA ILE A 88 3.105 4.435 16.759 1.00 0.00 H ATOM 1361 HB ILE A 88 6.076 4.046 16.327 1.00 0.00 H ATOM 1362 HG12 ILE A 88 4.095 6.090 15.258 1.00 0.00 H ATOM 1363 HG13 ILE A 88 5.038 6.324 16.748 1.00 0.00 H ATOM 1364 HD11 ILE A 88 7.113 6.197 15.455 1.00 0.00 H ATOM 1365 HD12 ILE A 88 6.169 5.963 13.964 1.00 0.00 H ATOM 1366 HD13 ILE A 88 6.048 7.495 14.863 1.00 0.00 H ATOM 1367 HG21 ILE A 88 4.886 2.538 14.785 1.00 0.00 H ATOM 1368 HG22 ILE A 88 3.842 3.883 14.264 1.00 0.00 H ATOM 1369 HG23 ILE A 88 5.587 3.921 13.909 1.00 0.00 H ATOM 1370 H ILE A 88 5.413 4.595 18.529 1.00 0.00 H ATOM 1371 N VAL A 89 4.604 1.653 17.722 1.00 15.89 N ATOM 1372 CA VAL A 89 4.433 0.202 17.784 1.00 14.72 C ATOM 1373 C VAL A 89 3.117 -0.087 18.514 1.00 14.24 C ATOM 1374 O VAL A 89 2.387 -1.013 18.160 1.00 16.63 O ATOM 1375 CB VAL A 89 5.595 -0.480 18.538 1.00 14.90 C ATOM 1376 CG1 VAL A 89 5.280 -1.954 18.757 1.00 12.64 C ATOM 1377 CG2 VAL A 89 6.873 -0.339 17.745 1.00 14.09 C ATOM 1378 HA VAL A 89 4.421 -0.196 16.769 1.00 0.00 H ATOM 1379 HB VAL A 89 5.721 0.002 19.507 1.00 0.00 H ATOM 1380 HG11 VAL A 89 4.367 -2.046 19.345 1.00 0.00 H ATOM 1381 HG12 VAL A 89 5.142 -2.442 17.792 1.00 0.00 H ATOM 1382 HG13 VAL A 89 6.106 -2.426 19.290 1.00 0.00 H ATOM 1383 HG21 VAL A 89 6.749 -0.811 16.771 1.00 0.00 H ATOM 1384 HG22 VAL A 89 7.101 0.718 17.611 1.00 0.00 H ATOM 1385 HG23 VAL A 89 7.688 -0.823 18.283 1.00 0.00 H ATOM 1386 H VAL A 89 5.375 2.101 18.257 1.00 0.00 H ATOM 1387 N GLY A 90 2.814 0.713 19.532 1.00 12.22 N ATOM 1388 CA GLY A 90 1.567 0.524 20.256 1.00 13.70 C ATOM 1389 C GLY A 90 0.401 0.795 19.319 1.00 14.27 C ATOM 1390 O GLY A 90 -0.666 0.181 19.417 1.00 15.41 O ATOM 1391 HA3 GLY A 90 1.526 1.214 21.099 1.00 0.00 H ATOM 1392 HA2 GLY A 90 1.510 -0.501 20.623 1.00 0.00 H ATOM 1393 H GLY A 90 3.468 1.473 19.810 1.00 0.00 H ATOM 1394 N PHE A 91 0.634 1.728 18.400 1.00 13.18 N ATOM 1395 CA PHE A 91 -0.330 2.143 17.395 1.00 12.66 C ATOM 1396 C PHE A 91 -0.693 0.934 16.541 1.00 13.67 C ATOM 1397 O PHE A 91 -1.867 0.654 16.309 1.00 13.89 O ATOM 1398 CB PHE A 91 0.303 3.255 16.547 1.00 12.12 C ATOM 1399 CG PHE A 91 -0.474 3.629 15.320 1.00 13.40 C ATOM 1400 CD1 PHE A 91 -1.620 4.409 15.409 1.00 16.41 C ATOM 1401 CD2 PHE A 91 -0.020 3.248 14.060 1.00 14.26 C ATOM 1402 CE1 PHE A 91 -2.299 4.813 14.259 1.00 15.46 C ATOM 1403 CE2 PHE A 91 -0.689 3.644 12.907 1.00 14.05 C ATOM 1404 CZ PHE A 91 -1.831 4.429 13.008 1.00 15.57 C ATOM 1405 HA PHE A 91 -1.241 2.528 17.853 1.00 0.00 H ATOM 1406 HB2 PHE A 91 0.401 4.144 17.171 1.00 0.00 H ATOM 1407 HB3 PHE A 91 1.292 2.922 16.234 1.00 0.00 H ATOM 1408 HD2 PHE A 91 0.874 2.630 13.976 1.00 0.00 H ATOM 1409 HE2 PHE A 91 -0.319 3.340 11.928 1.00 0.00 H ATOM 1410 HZ PHE A 91 -2.359 4.743 12.108 1.00 0.00 H ATOM 1411 HE1 PHE A 91 -3.195 5.429 14.342 1.00 0.00 H ATOM 1412 HD1 PHE A 91 -1.993 4.709 16.388 1.00 0.00 H ATOM 1413 H PHE A 91 1.566 2.190 18.401 1.00 0.00 H ATOM 1414 N PHE A 92 0.318 0.207 16.085 1.00 13.21 N ATOM 1415 CA PHE A 92 0.068 -0.972 15.269 1.00 13.31 C ATOM 1416 C PHE A 92 -0.483 -2.101 16.120 1.00 14.04 C ATOM 1417 O PHE A 92 -1.243 -2.929 15.632 1.00 14.20 O ATOM 1418 CB PHE A 92 1.354 -1.429 14.579 1.00 11.59 C ATOM 1419 CG PHE A 92 1.698 -0.628 13.352 1.00 12.83 C ATOM 1420 CD1 PHE A 92 1.036 -0.853 12.152 1.00 11.64 C ATOM 1421 CD2 PHE A 92 2.671 0.361 13.399 1.00 11.98 C ATOM 1422 CE1 PHE A 92 1.337 -0.102 11.017 1.00 14.13 C ATOM 1423 CE2 PHE A 92 2.978 1.114 12.268 1.00 13.18 C ATOM 1424 CZ PHE A 92 2.309 0.883 11.077 1.00 13.04 C ATOM 1425 HA PHE A 92 -0.668 -0.708 14.510 1.00 0.00 H ATOM 1426 HB2 PHE A 92 2.176 -1.342 15.289 1.00 0.00 H ATOM 1427 HB3 PHE A 92 1.237 -2.473 14.288 1.00 0.00 H ATOM 1428 HD2 PHE A 92 3.201 0.551 14.332 1.00 0.00 H ATOM 1429 HE2 PHE A 92 3.746 1.886 12.320 1.00 0.00 H ATOM 1430 HZ PHE A 92 2.546 1.473 10.192 1.00 0.00 H ATOM 1431 HE1 PHE A 92 0.808 -0.290 10.083 1.00 0.00 H ATOM 1432 HD1 PHE A 92 0.271 -1.627 12.097 1.00 0.00 H ATOM 1433 H PHE A 92 1.295 0.481 16.312 1.00 0.00 H ATOM 1434 N ASP A 93 -0.107 -2.137 17.395 1.00 13.66 N ATOM 1435 CA ASP A 93 -0.590 -3.195 18.265 1.00 15.02 C ATOM 1436 C ASP A 93 -2.096 -3.049 18.495 1.00 15.70 C ATOM 1437 O ASP A 93 -2.804 -4.042 18.642 1.00 16.19 O ATOM 1438 CB ASP A 93 0.160 -3.182 19.596 1.00 16.79 C ATOM 1439 CG ASP A 93 -0.115 -4.418 20.420 1.00 17.11 C ATOM 1440 OD1 ASP A 93 -0.089 -5.528 19.840 1.00 17.33 O ATOM 1441 OD2 ASP A 93 -0.345 -4.284 21.638 1.00 16.32 O ATOM 1442 HA ASP A 93 -0.405 -4.153 17.779 1.00 0.00 H ATOM 1443 HB2 ASP A 93 1.230 -3.125 19.396 1.00 0.00 H ATOM 1444 HB3 ASP A 93 -0.149 -2.305 20.165 1.00 0.00 H ATOM 1445 H ASP A 93 0.533 -1.408 17.769 1.00 0.00 H ATOM 1446 N VAL A 94 -2.578 -1.810 18.538 1.00 15.41 N ATOM 1447 CA VAL A 94 -4.005 -1.557 18.703 1.00 15.15 C ATOM 1448 C VAL A 94 -4.699 -2.122 17.461 1.00 17.72 C ATOM 1449 O VAL A 94 -5.798 -2.682 17.532 1.00 18.04 O ATOM 1450 CB VAL A 94 -4.300 -0.031 18.799 1.00 15.36 C ATOM 1451 CG1 VAL A 94 -5.814 0.236 18.654 1.00 14.40 C ATOM 1452 CG2 VAL A 94 -3.814 0.505 20.127 1.00 10.30 C ATOM 1453 HA VAL A 94 -4.362 -2.023 19.622 1.00 0.00 H ATOM 1454 HB VAL A 94 -3.774 0.476 17.990 1.00 0.00 H ATOM 1455 HG11 VAL A 94 -6.155 -0.132 17.686 1.00 0.00 H ATOM 1456 HG12 VAL A 94 -6.351 -0.280 19.450 1.00 0.00 H ATOM 1457 HG13 VAL A 94 -6.001 1.308 18.724 1.00 0.00 H ATOM 1458 HG21 VAL A 94 -4.328 -0.013 20.937 1.00 0.00 H ATOM 1459 HG22 VAL A 94 -2.740 0.340 20.213 1.00 0.00 H ATOM 1460 HG23 VAL A 94 -4.024 1.573 20.185 1.00 0.00 H ATOM 1461 H VAL A 94 -1.924 -1.006 18.452 1.00 0.00 H ATOM 1462 N GLY A 95 -4.032 -1.972 16.319 1.00 19.10 N ATOM 1463 CA GLY A 95 -4.573 -2.467 15.070 1.00 18.30 C ATOM 1464 C GLY A 95 -4.597 -3.979 15.053 1.00 18.26 C ATOM 1465 O GLY A 95 -5.588 -4.586 14.639 1.00 19.36 O ATOM 1466 HA3 GLY A 95 -3.954 -2.110 14.247 1.00 0.00 H ATOM 1467 HA2 GLY A 95 -5.589 -2.092 14.948 1.00 0.00 H ATOM 1468 H GLY A 95 -3.109 -1.492 16.324 1.00 0.00 H ATOM 1469 N ARG A 96 -3.506 -4.592 15.502 1.00 17.11 N ATOM 1470 CA ARG A 96 -3.419 -6.045 15.532 1.00 16.74 C ATOM 1471 C ARG A 96 -4.501 -6.580 16.457 1.00 17.72 C ATOM 1472 O ARG A 96 -5.122 -7.599 16.171 1.00 17.30 O ATOM 1473 CB ARG A 96 -2.034 -6.495 16.023 1.00 14.45 C ATOM 1474 CG ARG A 96 -1.865 -8.021 16.150 1.00 15.00 C ATOM 1475 CD ARG A 96 -0.390 -8.458 16.388 1.00 14.62 C ATOM 1476 NE ARG A 96 0.160 -8.109 17.703 1.00 14.85 N ATOM 1477 CZ ARG A 96 0.000 -8.828 18.824 1.00 17.72 C ATOM 1478 NH1 ARG A 96 -0.700 -9.962 18.815 1.00 13.81 N ATOM 1479 NH2 ARG A 96 0.543 -8.410 19.967 1.00 9.98 N ATOM 1480 HA ARG A 96 -3.563 -6.437 14.525 1.00 0.00 H ATOM 1481 HB2 ARG A 96 -1.287 -6.127 15.320 1.00 0.00 H ATOM 1482 HB3 ARG A 96 -1.859 -6.050 17.003 1.00 0.00 H ATOM 1483 HG2 ARG A 96 -2.469 -8.368 16.989 1.00 0.00 H ATOM 1484 HG3 ARG A 96 -2.220 -8.487 15.231 1.00 0.00 H ATOM 1485 HD2 ARG A 96 0.230 -7.984 15.626 1.00 0.00 H ATOM 1486 HD3 ARG A 96 -0.337 -9.541 16.276 1.00 0.00 H ATOM 1487 HE ARG A 96 0.718 -7.234 17.771 1.00 0.00 H ATOM 1488 HH12 ARG A 96 -0.815 -10.509 19.692 1.00 0.00 H ATOM 1489 HH11 ARG A 96 -1.131 -10.300 17.931 1.00 0.00 H ATOM 1490 HH22 ARG A 96 0.419 -8.968 20.836 1.00 0.00 H ATOM 1491 HH21 ARG A 96 1.091 -7.526 19.990 1.00 0.00 H ATOM 1492 H ARG A 96 -2.702 -4.024 15.837 1.00 0.00 H ATOM 1493 N TYR A 97 -4.736 -5.883 17.563 1.00 18.98 N ATOM 1494 CA TYR A 97 -5.748 -6.317 18.519 1.00 20.14 C ATOM 1495 C TYR A 97 -7.135 -6.332 17.898 1.00 20.35 C ATOM 1496 O TYR A 97 -7.874 -7.301 18.043 1.00 19.39 O ATOM 1497 CB TYR A 97 -5.767 -5.403 19.740 1.00 19.16 C ATOM 1498 CG TYR A 97 -6.731 -5.867 20.811 1.00 20.98 C ATOM 1499 CD1 TYR A 97 -6.320 -6.752 21.814 1.00 20.61 C ATOM 1500 CD2 TYR A 97 -8.064 -5.446 20.809 1.00 20.37 C ATOM 1501 CE1 TYR A 97 -7.210 -7.202 22.788 1.00 22.01 C ATOM 1502 CE2 TYR A 97 -8.965 -5.892 21.775 1.00 21.48 C ATOM 1503 CZ TYR A 97 -8.530 -6.768 22.761 1.00 23.51 C ATOM 1504 OH TYR A 97 -9.411 -7.213 23.719 1.00 26.27 O ATOM 1505 HA TYR A 97 -5.484 -7.331 18.820 1.00 0.00 H ATOM 1506 HB3 TYR A 97 -6.058 -4.402 19.421 1.00 0.00 H ATOM 1507 HB2 TYR A 97 -4.764 -5.370 20.165 1.00 0.00 H ATOM 1508 HD2 TYR A 97 -8.406 -4.756 20.038 1.00 0.00 H ATOM 1509 HE2 TYR A 97 -10.002 -5.556 21.757 1.00 0.00 H ATOM 1510 HE1 TYR A 97 -6.873 -7.889 23.565 1.00 0.00 H ATOM 1511 HD1 TYR A 97 -5.286 -7.096 21.834 1.00 0.00 H ATOM 1512 HH TYR A 97 -8.941 -7.825 24.339 1.00 0.00 H ATOM 1513 H TYR A 97 -4.191 -5.017 17.750 1.00 0.00 H ATOM 1514 N VAL A 98 -7.492 -5.241 17.222 1.00 22.46 N ATOM 1515 CA VAL A 98 -8.802 -5.130 16.582 1.00 22.19 C ATOM 1516 C VAL A 98 -9.026 -6.268 15.584 1.00 21.72 C ATOM 1517 O VAL A 98 -10.078 -6.907 15.580 1.00 19.02 O ATOM 1518 CB VAL A 98 -8.947 -3.767 15.856 1.00 22.29 C ATOM 1519 CG1 VAL A 98 -10.134 -3.790 14.911 1.00 21.47 C ATOM 1520 CG2 VAL A 98 -9.127 -2.660 16.881 1.00 22.24 C ATOM 1521 HA VAL A 98 -9.556 -5.198 17.366 1.00 0.00 H ATOM 1522 HB VAL A 98 -8.044 -3.582 15.274 1.00 0.00 H ATOM 1523 HG11 VAL A 98 -9.990 -4.574 14.167 1.00 0.00 H ATOM 1524 HG12 VAL A 98 -11.044 -3.988 15.477 1.00 0.00 H ATOM 1525 HG13 VAL A 98 -10.218 -2.825 14.412 1.00 0.00 H ATOM 1526 HG21 VAL A 98 -10.023 -2.854 17.470 1.00 0.00 H ATOM 1527 HG22 VAL A 98 -8.258 -2.630 17.538 1.00 0.00 H ATOM 1528 HG23 VAL A 98 -9.229 -1.704 16.367 1.00 0.00 H ATOM 1529 H VAL A 98 -6.822 -4.449 17.148 1.00 0.00 H ATOM 1530 N CYS A 99 -8.023 -6.519 14.747 1.00 20.64 N ATOM 1531 CA CYS A 99 -8.098 -7.581 13.750 1.00 21.12 C ATOM 1532 C CYS A 99 -8.139 -8.976 14.373 1.00 20.85 C ATOM 1533 O CYS A 99 -8.849 -9.853 13.888 1.00 20.66 O ATOM 1534 CB CYS A 99 -6.900 -7.499 12.790 1.00 20.69 C ATOM 1535 SG CYS A 99 -6.804 -5.996 11.768 1.00 22.10 S ATOM 1536 HA CYS A 99 -9.031 -7.429 13.208 1.00 0.00 H ATOM 1537 HB2 CYS A 99 -6.949 -8.357 12.119 1.00 0.00 H ATOM 1538 HB3 CYS A 99 -5.989 -7.557 13.386 1.00 0.00 H ATOM 1539 HG CYS A 99 -6.718 -4.889 12.588 1.00 0.00 H ATOM 1540 H CYS A 99 -7.160 -5.941 14.805 1.00 0.00 H ATOM 1541 N GLU A 100 -7.385 -9.174 15.451 1.00 22.76 N ATOM 1542 CA GLU A 100 -7.314 -10.476 16.113 1.00 25.12 C ATOM 1543 C GLU A 100 -8.346 -10.781 17.197 1.00 25.71 C ATOM 1544 O GLU A 100 -8.760 -11.930 17.348 1.00 26.96 O ATOM 1545 CB GLU A 100 -5.908 -10.688 16.695 1.00 23.03 C ATOM 1546 CG GLU A 100 -4.840 -10.867 15.641 1.00 23.66 C ATOM 1547 CD GLU A 100 -3.444 -11.082 16.214 1.00 24.35 C ATOM 1548 OE1 GLU A 100 -2.513 -11.298 15.407 1.00 25.09 O ATOM 1549 OE2 GLU A 100 -3.271 -11.032 17.454 1.00 23.35 O ATOM 1550 HA GLU A 100 -7.555 -11.173 15.311 1.00 0.00 H ATOM 1551 HB2 GLU A 100 -5.651 -9.820 17.303 1.00 0.00 H ATOM 1552 HB3 GLU A 100 -5.925 -11.578 17.324 1.00 0.00 H ATOM 1553 HG2 GLU A 100 -5.099 -11.733 15.031 1.00 0.00 H ATOM 1554 HG3 GLU A 100 -4.822 -9.975 15.014 1.00 0.00 H ATOM 1555 H GLU A 100 -6.831 -8.381 15.833 1.00 0.00 H ATOM 1556 N GLU A 101 -8.759 -9.769 17.948 1.00 26.73 N ATOM 1557 CA GLU A 101 -9.714 -9.980 19.031 1.00 29.59 C ATOM 1558 C GLU A 101 -11.124 -9.509 18.733 1.00 29.89 C ATOM 1559 O GLU A 101 -12.091 -10.230 18.977 1.00 32.85 O ATOM 1560 CB GLU A 101 -9.226 -9.289 20.310 1.00 30.38 C ATOM 1561 CG GLU A 101 -8.867 -10.245 21.434 1.00 35.62 C ATOM 1562 CD GLU A 101 -7.713 -11.164 21.075 1.00 37.59 C ATOM 1563 OE1 GLU A 101 -6.597 -10.655 20.838 1.00 36.76 O ATOM 1564 OE2 GLU A 101 -7.927 -12.397 21.033 1.00 39.39 O ATOM 1565 HA GLU A 101 -9.765 -11.062 19.156 1.00 0.00 H ATOM 1566 HB2 GLU A 101 -8.342 -8.701 20.065 1.00 0.00 H ATOM 1567 HB3 GLU A 101 -10.016 -8.626 20.664 1.00 0.00 H ATOM 1568 HG2 GLU A 101 -8.589 -9.662 22.312 1.00 0.00 H ATOM 1569 HG3 GLU A 101 -9.740 -10.855 21.666 1.00 0.00 H ATOM 1570 H GLU A 101 -8.397 -8.812 17.763 1.00 0.00 H ATOM 1571 N VAL A 102 -11.250 -8.297 18.214 1.00 29.27 N ATOM 1572 CA VAL A 102 -12.563 -7.760 17.919 1.00 28.35 C ATOM 1573 C VAL A 102 -13.146 -8.339 16.631 1.00 30.18 C ATOM 1574 O VAL A 102 -14.105 -9.107 16.674 1.00 32.16 O ATOM 1575 CB VAL A 102 -12.506 -6.237 17.824 1.00 27.06 C ATOM 1576 CG1 VAL A 102 -13.914 -5.673 17.667 1.00 27.21 C ATOM 1577 CG2 VAL A 102 -11.831 -5.678 19.071 1.00 25.04 C ATOM 1578 HA VAL A 102 -13.220 -8.050 18.739 1.00 0.00 H ATOM 1579 HB VAL A 102 -11.924 -5.944 16.950 1.00 0.00 H ATOM 1580 HG11 VAL A 102 -14.365 -6.074 16.759 1.00 0.00 H ATOM 1581 HG12 VAL A 102 -14.516 -5.957 18.530 1.00 0.00 H ATOM 1582 HG13 VAL A 102 -13.863 -4.586 17.600 1.00 0.00 H ATOM 1583 HG21 VAL A 102 -12.403 -5.968 19.953 1.00 0.00 H ATOM 1584 HG22 VAL A 102 -10.819 -6.077 19.145 1.00 0.00 H ATOM 1585 HG23 VAL A 102 -11.790 -4.591 19.004 1.00 0.00 H ATOM 1586 H VAL A 102 -10.402 -7.728 18.017 1.00 0.00 H ATOM 1587 N LEU A 103 -12.558 -7.984 15.492 1.00 30.36 N ATOM 1588 CA LEU A 103 -13.028 -8.465 14.197 1.00 28.61 C ATOM 1589 C LEU A 103 -12.768 -9.958 14.021 1.00 29.60 C ATOM 1590 O LEU A 103 -11.956 -10.543 14.741 1.00 31.37 O ATOM 1591 CB LEU A 103 -12.352 -7.671 13.075 1.00 26.38 C ATOM 1592 CG LEU A 103 -12.582 -6.154 13.168 1.00 26.77 C ATOM 1593 CD1 LEU A 103 -11.877 -5.438 12.021 1.00 22.27 C ATOM 1594 CD2 LEU A 103 -14.086 -5.864 13.144 1.00 23.73 C ATOM 1595 HA LEU A 103 -14.107 -8.314 14.151 1.00 0.00 H ATOM 1596 HB2 LEU A 103 -11.279 -7.860 13.117 1.00 0.00 H ATOM 1597 HB3 LEU A 103 -12.744 -8.021 12.120 1.00 0.00 H ATOM 1598 HG LEU A 103 -12.164 -5.783 14.104 1.00 0.00 H ATOM 1599 HD21 LEU A 103 -14.513 -6.241 12.214 1.00 0.00 H ATOM 1600 HD22 LEU A 103 -14.563 -6.357 13.991 1.00 0.00 H ATOM 1601 HD23 LEU A 103 -14.248 -4.788 13.210 1.00 0.00 H ATOM 1602 HD11 LEU A 103 -10.807 -5.639 12.072 1.00 0.00 H ATOM 1603 HD12 LEU A 103 -12.271 -5.800 11.071 1.00 0.00 H ATOM 1604 HD13 LEU A 103 -12.051 -4.365 12.103 1.00 0.00 H ATOM 1605 H LEU A 103 -11.739 -7.344 15.525 1.00 0.00 H ATOM 1606 N CYS A 104 -13.463 -10.577 13.071 1.00 28.66 N ATOM 1607 CA CYS A 104 -13.291 -12.000 12.823 1.00 30.55 C ATOM 1608 C CYS A 104 -12.129 -12.275 11.868 1.00 31.15 C ATOM 1609 O CYS A 104 -12.041 -11.689 10.791 1.00 29.20 O ATOM 1610 CB CYS A 104 -14.572 -12.601 12.259 1.00 31.54 C ATOM 1611 SG CYS A 104 -14.395 -14.358 11.942 1.00 39.31 S ATOM 1612 HA CYS A 104 -13.060 -12.469 13.780 1.00 0.00 H ATOM 1613 HB2 CYS A 104 -14.818 -12.096 11.325 1.00 0.00 H ATOM 1614 HB3 CYS A 104 -15.379 -12.450 12.976 1.00 0.00 H ATOM 1615 HG CYS A 104 -15.578 -14.854 11.434 1.00 0.00 H ATOM 1616 H CYS A 104 -14.140 -10.035 12.497 1.00 0.00 H ATOM 1617 N PRO A 105 -11.224 -13.187 12.254 1.00 32.37 N ATOM 1618 CA PRO A 105 -10.056 -13.545 11.445 1.00 33.52 C ATOM 1619 C PRO A 105 -10.311 -14.475 10.257 1.00 33.86 C ATOM 1620 O PRO A 105 -10.877 -15.557 10.409 1.00 33.79 O ATOM 1621 CB PRO A 105 -9.116 -14.166 12.474 1.00 34.17 C ATOM 1622 CG PRO A 105 -10.075 -14.882 13.375 1.00 35.44 C ATOM 1623 CD PRO A 105 -11.184 -13.867 13.563 1.00 33.04 C ATOM 1624 HA PRO A 105 -9.660 -12.668 10.933 1.00 0.00 H ATOM 1625 HD3 PRO A 105 -12.133 -14.357 13.781 1.00 0.00 H ATOM 1626 HD2 PRO A 105 -10.945 -13.167 14.363 1.00 0.00 H ATOM 1627 HG3 PRO A 105 -9.607 -15.133 14.327 1.00 0.00 H ATOM 1628 HG2 PRO A 105 -10.450 -15.791 12.906 1.00 0.00 H ATOM 1629 HB2 PRO A 105 -8.418 -14.860 12.006 1.00 0.00 H ATOM 1630 HB3 PRO A 105 -8.559 -13.401 13.015 1.00 0.00 H ATOM 1631 N GLY A 106 -9.873 -14.047 9.075 1.00 34.57 N ATOM 1632 CA GLY A 106 -10.049 -14.855 7.881 1.00 35.03 C ATOM 1633 C GLY A 106 -10.788 -14.137 6.771 1.00 35.04 C ATOM 1634 O GLY A 106 -10.769 -14.574 5.618 1.00 34.72 O ATOM 1635 HA3 GLY A 106 -10.612 -15.749 8.149 1.00 0.00 H ATOM 1636 HA2 GLY A 106 -9.065 -15.144 7.511 1.00 0.00 H ATOM 1637 H GLY A 106 -9.399 -13.124 9.006 1.00 0.00 H ATOM 1638 N SER A 107 -11.439 -13.032 7.119 1.00 35.22 N ATOM 1639 CA SER A 107 -12.198 -12.244 6.151 1.00 36.12 C ATOM 1640 C SER A 107 -11.800 -10.762 6.242 1.00 34.94 C ATOM 1641 O SER A 107 -11.455 -10.274 7.316 1.00 35.33 O ATOM 1642 CB SER A 107 -13.702 -12.413 6.420 1.00 37.21 C ATOM 1643 OG SER A 107 -14.507 -11.830 5.406 1.00 39.09 O ATOM 1644 HA SER A 107 -11.974 -12.597 5.145 1.00 0.00 H ATOM 1645 HB2 SER A 107 -13.942 -11.940 7.372 1.00 0.00 H ATOM 1646 HB3 SER A 107 -13.929 -13.478 6.478 1.00 0.00 H ATOM 1647 HG SER A 107 -15.463 -11.966 5.626 1.00 0.00 H ATOM 1648 H SER A 107 -11.407 -12.719 8.110 1.00 0.00 H ATOM 1649 N TRP A 108 -11.834 -10.066 5.106 1.00 32.64 N ATOM 1650 CA TRP A 108 -11.496 -8.645 5.039 1.00 30.90 C ATOM 1651 C TRP A 108 -12.796 -7.906 4.749 1.00 30.10 C ATOM 1652 O TRP A 108 -13.232 -7.812 3.603 1.00 30.46 O ATOM 1653 CB TRP A 108 -10.471 -8.395 3.926 1.00 30.08 C ATOM 1654 CG TRP A 108 -9.989 -6.968 3.841 1.00 33.09 C ATOM 1655 CD1 TRP A 108 -10.324 -6.040 2.891 1.00 33.27 C ATOM 1656 CD2 TRP A 108 -9.082 -6.309 4.739 1.00 32.82 C ATOM 1657 NE1 TRP A 108 -9.680 -4.850 3.141 1.00 34.63 N ATOM 1658 CE2 TRP A 108 -8.913 -4.988 4.269 1.00 34.88 C ATOM 1659 CE3 TRP A 108 -8.397 -6.707 5.894 1.00 34.14 C ATOM 1660 CZ2 TRP A 108 -8.085 -4.059 4.917 1.00 36.06 C ATOM 1661 CZ3 TRP A 108 -7.572 -5.781 6.540 1.00 34.15 C ATOM 1662 CH2 TRP A 108 -7.425 -4.474 6.047 1.00 33.81 C ATOM 1663 HA TRP A 108 -11.050 -8.298 5.971 1.00 0.00 H ATOM 1664 HB2 TRP A 108 -9.609 -9.038 4.104 1.00 0.00 H ATOM 1665 HB3 TRP A 108 -10.929 -8.659 2.973 1.00 0.00 H ATOM 1666 HE1 TRP A 108 -9.762 -3.986 2.568 1.00 0.00 H ATOM 1667 HD1 TRP A 108 -11.003 -6.218 2.057 1.00 0.00 H ATOM 1668 HZ2 TRP A 108 -7.970 -3.044 4.537 1.00 0.00 H ATOM 1669 HH2 TRP A 108 -6.774 -3.775 6.572 1.00 0.00 H ATOM 1670 HZ3 TRP A 108 -7.034 -6.078 7.440 1.00 0.00 H ATOM 1671 HE3 TRP A 108 -8.505 -7.720 6.282 1.00 0.00 H ATOM 1672 H TRP A 108 -12.113 -10.554 4.231 1.00 0.00 H ATOM 1673 N THR A 109 -13.410 -7.378 5.802 1.00 30.11 N ATOM 1674 CA THR A 109 -14.697 -6.699 5.688 1.00 29.24 C ATOM 1675 C THR A 109 -14.633 -5.186 5.615 1.00 28.98 C ATOM 1676 O THR A 109 -13.553 -4.599 5.582 1.00 28.86 O ATOM 1677 CB THR A 109 -15.602 -7.081 6.869 1.00 28.57 C ATOM 1678 OG1 THR A 109 -15.070 -6.523 8.076 1.00 29.40 O ATOM 1679 CG2 THR A 109 -15.677 -8.602 7.010 1.00 27.24 C ATOM 1680 HA THR A 109 -15.097 -7.039 4.733 1.00 0.00 H ATOM 1681 HB THR A 109 -16.603 -6.690 6.687 1.00 0.00 H ATOM 1682 HG1 THR A 109 -14.159 -6.878 8.229 1.00 0.00 H ATOM 1683 HG23 THR A 109 -16.082 -9.031 6.093 1.00 0.00 H ATOM 1684 HG21 THR A 109 -14.678 -8.999 7.188 1.00 0.00 H ATOM 1685 HG22 THR A 109 -16.325 -8.856 7.849 1.00 0.00 H ATOM 1686 H THR A 109 -12.960 -7.451 6.737 1.00 0.00 H ATOM 1687 N GLU A 110 -15.807 -4.558 5.584 1.00 29.06 N ATOM 1688 CA GLU A 110 -15.892 -3.103 5.526 1.00 31.06 C ATOM 1689 C GLU A 110 -15.317 -2.497 6.797 1.00 30.25 C ATOM 1690 O GLU A 110 -14.743 -1.405 6.768 1.00 30.76 O ATOM 1691 CB GLU A 110 -17.346 -2.651 5.336 1.00 33.04 C ATOM 1692 CG GLU A 110 -17.882 -2.917 3.931 1.00 40.67 C ATOM 1693 CD GLU A 110 -19.316 -2.441 3.720 1.00 43.36 C ATOM 1694 OE1 GLU A 110 -19.795 -2.511 2.567 1.00 46.33 O ATOM 1695 OE2 GLU A 110 -19.965 -1.999 4.693 1.00 46.84 O ATOM 1696 HA GLU A 110 -15.311 -2.757 4.671 1.00 0.00 H ATOM 1697 HB2 GLU A 110 -17.971 -3.185 6.052 1.00 0.00 H ATOM 1698 HB3 GLU A 110 -17.404 -1.580 5.532 1.00 0.00 H ATOM 1699 HG2 GLU A 110 -17.240 -2.404 3.215 1.00 0.00 H ATOM 1700 HG3 GLU A 110 -17.845 -3.991 3.746 1.00 0.00 H ATOM 1701 H GLU A 110 -16.683 -5.118 5.602 1.00 0.00 H ATOM 1702 N ASP A 111 -15.477 -3.205 7.914 1.00 29.48 N ATOM 1703 CA ASP A 111 -14.946 -2.735 9.189 1.00 27.67 C ATOM 1704 C ASP A 111 -13.422 -2.707 9.120 1.00 26.04 C ATOM 1705 O ASP A 111 -12.787 -1.823 9.691 1.00 26.32 O ATOM 1706 CB ASP A 111 -15.405 -3.639 10.335 1.00 29.06 C ATOM 1707 CG ASP A 111 -16.904 -3.542 10.598 1.00 28.89 C ATOM 1708 OD1 ASP A 111 -17.501 -2.484 10.312 1.00 27.66 O ATOM 1709 OD2 ASP A 111 -17.480 -4.524 11.113 1.00 31.94 O ATOM 1710 HA ASP A 111 -15.322 -1.730 9.380 1.00 0.00 H ATOM 1711 HB2 ASP A 111 -15.161 -4.671 10.084 1.00 0.00 H ATOM 1712 HB3 ASP A 111 -14.872 -3.351 11.241 1.00 0.00 H ATOM 1713 H ASP A 111 -15.990 -4.109 7.876 1.00 0.00 H ATOM 1714 N HIS A 112 -12.841 -3.677 8.416 1.00 25.24 N ATOM 1715 CA HIS A 112 -11.397 -3.732 8.252 1.00 23.56 C ATOM 1716 C HIS A 112 -10.953 -2.507 7.470 1.00 25.77 C ATOM 1717 O HIS A 112 -9.984 -1.844 7.834 1.00 27.02 O ATOM 1718 CB HIS A 112 -10.972 -4.989 7.485 1.00 22.18 C ATOM 1719 CG HIS A 112 -11.022 -6.246 8.297 1.00 22.08 C ATOM 1720 ND1 HIS A 112 -12.197 -6.916 8.563 1.00 21.39 N ATOM 1721 CD2 HIS A 112 -10.041 -6.952 8.908 1.00 22.77 C ATOM 1722 CE1 HIS A 112 -11.937 -7.982 9.298 1.00 24.17 C ATOM 1723 NE2 HIS A 112 -10.636 -8.029 9.522 1.00 22.94 N ATOM 1724 HA HIS A 112 -10.934 -3.758 9.238 1.00 0.00 H ATOM 1725 HB2 HIS A 112 -11.635 -5.108 6.628 1.00 0.00 H ATOM 1726 HB3 HIS A 112 -9.949 -4.848 7.135 1.00 0.00 H ATOM 1727 HD2 HIS A 112 -8.978 -6.711 8.912 1.00 0.00 H ATOM 1728 HE1 HIS A 112 -12.672 -8.702 9.659 1.00 0.00 H ATOM 1729 H HIS A 112 -13.432 -4.410 7.975 1.00 0.00 H ATOM 1730 N GLU A 113 -11.677 -2.211 6.394 1.00 26.76 N ATOM 1731 CA GLU A 113 -11.372 -1.070 5.544 1.00 26.62 C ATOM 1732 C GLU A 113 -11.476 0.215 6.351 1.00 26.33 C ATOM 1733 O GLU A 113 -10.704 1.151 6.136 1.00 27.24 O ATOM 1734 CB GLU A 113 -12.316 -1.056 4.330 1.00 29.07 C ATOM 1735 CG GLU A 113 -12.172 -2.326 3.482 1.00 33.59 C ATOM 1736 CD GLU A 113 -13.138 -2.414 2.310 1.00 37.09 C ATOM 1737 OE1 GLU A 113 -14.361 -2.235 2.516 1.00 38.26 O ATOM 1738 OE2 GLU A 113 -12.668 -2.685 1.181 1.00 36.34 O ATOM 1739 HA GLU A 113 -10.351 -1.150 5.171 1.00 0.00 H ATOM 1740 HB2 GLU A 113 -13.345 -0.982 4.683 1.00 0.00 H ATOM 1741 HB3 GLU A 113 -12.083 -0.190 3.711 1.00 0.00 H ATOM 1742 HG2 GLU A 113 -11.156 -2.360 3.089 1.00 0.00 H ATOM 1743 HG3 GLU A 113 -12.340 -3.188 4.128 1.00 0.00 H ATOM 1744 H GLU A 113 -12.488 -2.815 6.152 1.00 0.00 H ATOM 1745 N LEU A 114 -12.415 0.240 7.294 1.00 23.50 N ATOM 1746 CA LEU A 114 -12.611 1.387 8.172 1.00 23.67 C ATOM 1747 C LEU A 114 -11.362 1.515 9.043 1.00 22.16 C ATOM 1748 O LEU A 114 -10.823 2.601 9.227 1.00 21.46 O ATOM 1749 CB LEU A 114 -13.848 1.162 9.054 1.00 28.46 C ATOM 1750 CG LEU A 114 -14.303 2.244 10.046 1.00 32.98 C ATOM 1751 CD1 LEU A 114 -15.684 1.880 10.564 1.00 34.99 C ATOM 1752 CD2 LEU A 114 -13.325 2.381 11.213 1.00 34.57 C ATOM 1753 HA LEU A 114 -12.768 2.296 7.592 1.00 0.00 H ATOM 1754 HB2 LEU A 114 -14.685 0.984 8.379 1.00 0.00 H ATOM 1755 HB3 LEU A 114 -13.656 0.262 9.638 1.00 0.00 H ATOM 1756 HG LEU A 114 -14.333 3.204 9.530 1.00 0.00 H ATOM 1757 HD21 LEU A 114 -13.259 1.431 11.744 1.00 0.00 H ATOM 1758 HD22 LEU A 114 -12.341 2.654 10.831 1.00 0.00 H ATOM 1759 HD23 LEU A 114 -13.680 3.155 11.894 1.00 0.00 H ATOM 1760 HD11 LEU A 114 -16.382 1.826 9.728 1.00 0.00 H ATOM 1761 HD12 LEU A 114 -15.640 0.913 11.065 1.00 0.00 H ATOM 1762 HD13 LEU A 114 -16.018 2.641 11.269 1.00 0.00 H ATOM 1763 H LEU A 114 -13.032 -0.590 7.409 1.00 0.00 H ATOM 1764 N LEU A 115 -10.906 0.391 9.581 1.00 20.59 N ATOM 1765 CA LEU A 115 -9.713 0.376 10.416 1.00 18.06 C ATOM 1766 C LEU A 115 -8.520 0.815 9.560 1.00 18.45 C ATOM 1767 O LEU A 115 -7.749 1.691 9.944 1.00 16.58 O ATOM 1768 CB LEU A 115 -9.454 -1.042 10.938 1.00 15.98 C ATOM 1769 CG LEU A 115 -8.644 -1.265 12.214 1.00 15.16 C ATOM 1770 CD1 LEU A 115 -8.022 -2.641 12.146 1.00 15.66 C ATOM 1771 CD2 LEU A 115 -7.564 -0.216 12.371 1.00 18.62 C ATOM 1772 HA LEU A 115 -9.850 1.048 11.263 1.00 0.00 H ATOM 1773 HB2 LEU A 115 -10.431 -1.496 11.105 1.00 0.00 H ATOM 1774 HB3 LEU A 115 -8.937 -1.578 10.142 1.00 0.00 H ATOM 1775 HG LEU A 115 -9.305 -1.186 13.077 1.00 0.00 H ATOM 1776 HD21 LEU A 115 -6.887 -0.262 11.518 1.00 0.00 H ATOM 1777 HD22 LEU A 115 -8.023 0.772 12.419 1.00 0.00 H ATOM 1778 HD23 LEU A 115 -7.007 -0.404 13.289 1.00 0.00 H ATOM 1779 HD11 LEU A 115 -8.809 -3.391 12.066 1.00 0.00 H ATOM 1780 HD12 LEU A 115 -7.371 -2.701 11.274 1.00 0.00 H ATOM 1781 HD13 LEU A 115 -7.439 -2.820 13.049 1.00 0.00 H ATOM 1782 H LEU A 115 -11.412 -0.500 9.402 1.00 0.00 H ATOM 1783 N ASN A 116 -8.380 0.189 8.398 1.00 18.37 N ATOM 1784 CA ASN A 116 -7.279 0.487 7.491 1.00 20.52 C ATOM 1785 C ASN A 116 -7.174 1.972 7.160 1.00 20.98 C ATOM 1786 O ASN A 116 -6.102 2.558 7.241 1.00 23.29 O ATOM 1787 CB ASN A 116 -7.448 -0.311 6.204 1.00 19.05 C ATOM 1788 CG ASN A 116 -6.351 -0.042 5.214 1.00 22.14 C ATOM 1789 OD1 ASN A 116 -5.248 -0.574 5.332 1.00 22.78 O ATOM 1790 ND2 ASN A 116 -6.639 0.803 4.229 1.00 22.36 N ATOM 1791 HA ASN A 116 -6.357 0.203 7.999 1.00 0.00 H ATOM 1792 HB2 ASN A 116 -7.447 -1.373 6.448 1.00 0.00 H ATOM 1793 HB3 ASN A 116 -8.402 -0.045 5.750 1.00 0.00 H ATOM 1794 HD22 ASN A 116 -7.586 1.229 4.169 1.00 0.00 H ATOM 1795 HD21 ASN A 116 -5.917 1.038 3.518 1.00 0.00 H ATOM 1796 H ASN A 116 -9.076 -0.535 8.127 1.00 0.00 H ATOM 1797 N ASP A 117 -8.291 2.585 6.788 1.00 22.66 N ATOM 1798 CA ASP A 117 -8.279 4.000 6.440 1.00 23.89 C ATOM 1799 C ASP A 117 -7.968 4.885 7.636 1.00 22.57 C ATOM 1800 O ASP A 117 -7.237 5.869 7.515 1.00 23.03 O ATOM 1801 CB ASP A 117 -9.620 4.419 5.825 1.00 25.91 C ATOM 1802 CG ASP A 117 -9.918 3.694 4.525 1.00 28.77 C ATOM 1803 OD1 ASP A 117 -8.961 3.271 3.839 1.00 28.99 O ATOM 1804 OD2 ASP A 117 -11.113 3.557 4.184 1.00 33.34 O ATOM 1805 HA ASP A 117 -7.484 4.136 5.707 1.00 0.00 H ATOM 1806 HB2 ASP A 117 -10.415 4.199 6.538 1.00 0.00 H ATOM 1807 HB3 ASP A 117 -9.595 5.491 5.629 1.00 0.00 H ATOM 1808 H ASP A 117 -9.182 2.051 6.745 1.00 0.00 H ATOM 1809 N CYS A 118 -8.531 4.539 8.787 1.00 21.22 N ATOM 1810 CA CYS A 118 -8.292 5.313 9.990 1.00 21.15 C ATOM 1811 C CYS A 118 -6.805 5.328 10.296 1.00 18.17 C ATOM 1812 O CYS A 118 -6.213 6.379 10.504 1.00 17.45 O ATOM 1813 CB CYS A 118 -9.040 4.718 11.178 1.00 23.20 C ATOM 1814 SG CYS A 118 -8.741 5.657 12.694 1.00 30.37 S ATOM 1815 HA CYS A 118 -8.652 6.328 9.822 1.00 0.00 H ATOM 1816 HB2 CYS A 118 -8.707 3.691 11.327 1.00 0.00 H ATOM 1817 HB3 CYS A 118 -10.108 4.725 10.963 1.00 0.00 H ATOM 1818 HG CYS A 118 -9.167 6.958 12.519 1.00 0.00 H ATOM 1819 H CYS A 118 -9.150 3.704 8.827 1.00 0.00 H ATOM 1820 N MET A 119 -6.203 4.150 10.311 1.00 16.42 N ATOM 1821 CA MET A 119 -4.788 4.051 10.585 1.00 17.12 C ATOM 1822 C MET A 119 -3.949 4.701 9.493 1.00 15.51 C ATOM 1823 O MET A 119 -3.021 5.440 9.791 1.00 15.85 O ATOM 1824 CB MET A 119 -4.387 2.590 10.748 1.00 16.13 C ATOM 1825 CG MET A 119 -4.911 1.964 12.017 1.00 18.24 C ATOM 1826 SD MET A 119 -4.325 0.279 12.247 1.00 19.39 S ATOM 1827 CE MET A 119 -2.634 0.568 12.819 1.00 18.50 C ATOM 1828 HA MET A 119 -4.596 4.589 11.513 1.00 0.00 H ATOM 1829 HB2 MET A 119 -4.775 2.028 9.899 1.00 0.00 H ATOM 1830 HB3 MET A 119 -3.299 2.529 10.756 1.00 0.00 H ATOM 1831 HG2 MET A 119 -6.000 1.953 11.978 1.00 0.00 H ATOM 1832 HG3 MET A 119 -4.585 2.567 12.865 1.00 0.00 H ATOM 1833 HE1 MET A 119 -2.083 1.118 12.056 1.00 0.00 H ATOM 1834 HE2 MET A 119 -2.658 1.148 13.741 1.00 0.00 H ATOM 1835 HE3 MET A 119 -2.145 -0.389 13.003 1.00 0.00 H ATOM 1836 H MET A 119 -6.753 3.288 10.124 1.00 0.00 H ATOM 1837 N THR A 120 -4.273 4.437 8.234 1.00 17.30 N ATOM 1838 CA THR A 120 -3.505 5.011 7.125 1.00 19.72 C ATOM 1839 C THR A 120 -3.522 6.544 7.119 1.00 22.53 C ATOM 1840 O THR A 120 -2.475 7.177 6.970 1.00 21.87 O ATOM 1841 CB THR A 120 -4.015 4.507 5.744 1.00 18.55 C ATOM 1842 OG1 THR A 120 -4.052 3.069 5.732 1.00 13.94 O ATOM 1843 CG2 THR A 120 -3.078 4.988 4.636 1.00 13.88 C ATOM 1844 HA THR A 120 -2.481 4.673 7.285 1.00 0.00 H ATOM 1845 HB THR A 120 -5.017 4.902 5.575 1.00 0.00 H ATOM 1846 HG1 THR A 120 -4.377 2.756 4.851 1.00 0.00 H ATOM 1847 HG23 THR A 120 -3.044 6.077 4.638 1.00 0.00 H ATOM 1848 HG21 THR A 120 -2.078 4.592 4.810 1.00 0.00 H ATOM 1849 HG22 THR A 120 -3.446 4.636 3.672 1.00 0.00 H ATOM 1850 H THR A 120 -5.082 3.815 8.031 1.00 0.00 H ATOM 1851 N HIS A 121 -4.701 7.141 7.279 1.00 24.70 N ATOM 1852 CA HIS A 121 -4.806 8.602 7.290 1.00 27.76 C ATOM 1853 C HIS A 121 -4.021 9.231 8.446 1.00 27.29 C ATOM 1854 O HIS A 121 -3.257 10.183 8.241 1.00 25.97 O ATOM 1855 CB HIS A 121 -6.274 9.045 7.393 1.00 32.30 C ATOM 1856 CG HIS A 121 -7.044 8.918 6.115 1.00 37.43 C ATOM 1857 ND1 HIS A 121 -7.209 7.718 5.456 1.00 41.20 N ATOM 1858 CD2 HIS A 121 -7.724 9.838 5.391 1.00 38.87 C ATOM 1859 CE1 HIS A 121 -7.959 7.903 4.385 1.00 39.11 C ATOM 1860 NE2 HIS A 121 -8.285 9.181 4.324 1.00 39.57 N ATOM 1861 HA HIS A 121 -4.377 8.947 6.349 1.00 0.00 H ATOM 1862 HB2 HIS A 121 -6.764 8.433 8.150 1.00 0.00 H ATOM 1863 HB3 HIS A 121 -6.295 10.090 7.703 1.00 0.00 H ATOM 1864 HD2 HIS A 121 -7.810 10.902 5.614 1.00 0.00 H ATOM 1865 HE1 HIS A 121 -8.258 7.133 3.674 1.00 0.00 H ATOM 1866 H HIS A 121 -5.558 6.563 7.398 1.00 0.00 H ATOM 1867 N PHE A 122 -4.204 8.703 9.656 1.00 24.15 N ATOM 1868 CA PHE A 122 -3.510 9.256 10.819 1.00 25.28 C ATOM 1869 C PHE A 122 -1.986 9.140 10.720 1.00 22.88 C ATOM 1870 O PHE A 122 -1.253 10.064 11.070 1.00 21.26 O ATOM 1871 CB PHE A 122 -3.977 8.578 12.113 1.00 25.00 C ATOM 1872 CG PHE A 122 -3.542 9.306 13.345 1.00 26.58 C ATOM 1873 CD1 PHE A 122 -4.342 10.304 13.896 1.00 24.95 C ATOM 1874 CD2 PHE A 122 -2.281 9.072 13.898 1.00 27.08 C ATOM 1875 CE1 PHE A 122 -3.892 11.068 14.975 1.00 25.79 C ATOM 1876 CE2 PHE A 122 -1.821 9.830 14.976 1.00 25.31 C ATOM 1877 CZ PHE A 122 -2.627 10.832 15.515 1.00 26.57 C ATOM 1878 HA PHE A 122 -3.766 10.315 10.838 1.00 0.00 H ATOM 1879 HB2 PHE A 122 -5.066 8.527 12.105 1.00 0.00 H ATOM 1880 HB3 PHE A 122 -3.568 7.568 12.143 1.00 0.00 H ATOM 1881 HD2 PHE A 122 -1.648 8.288 13.483 1.00 0.00 H ATOM 1882 HE2 PHE A 122 -0.833 9.639 15.396 1.00 0.00 H ATOM 1883 HZ PHE A 122 -2.270 11.429 16.355 1.00 0.00 H ATOM 1884 HE1 PHE A 122 -4.528 11.847 15.395 1.00 0.00 H ATOM 1885 HD1 PHE A 122 -5.332 10.491 13.480 1.00 0.00 H ATOM 1886 H PHE A 122 -4.845 7.892 9.774 1.00 0.00 H ATOM 1887 N PHE A 123 -1.525 7.991 10.247 1.00 22.38 N ATOM 1888 CA PHE A 123 -0.102 7.713 10.097 1.00 21.19 C ATOM 1889 C PHE A 123 0.552 8.757 9.189 1.00 21.99 C ATOM 1890 O PHE A 123 1.545 9.392 9.552 1.00 21.10 O ATOM 1891 CB PHE A 123 0.069 6.312 9.491 1.00 18.85 C ATOM 1892 CG PHE A 123 1.483 5.807 9.495 1.00 18.19 C ATOM 1893 CD1 PHE A 123 1.932 4.963 10.510 1.00 17.63 C ATOM 1894 CD2 PHE A 123 2.373 6.172 8.487 1.00 16.58 C ATOM 1895 CE1 PHE A 123 3.249 4.492 10.520 1.00 16.60 C ATOM 1896 CE2 PHE A 123 3.692 5.705 8.491 1.00 15.16 C ATOM 1897 CZ PHE A 123 4.127 4.865 9.508 1.00 14.94 C ATOM 1898 HA PHE A 123 0.381 7.756 11.073 1.00 0.00 H ATOM 1899 HB2 PHE A 123 -0.545 5.615 10.062 1.00 0.00 H ATOM 1900 HB3 PHE A 123 -0.281 6.341 8.459 1.00 0.00 H ATOM 1901 HD2 PHE A 123 2.037 6.830 7.685 1.00 0.00 H ATOM 1902 HE2 PHE A 123 4.378 6.000 7.697 1.00 0.00 H ATOM 1903 HZ PHE A 123 5.154 4.499 9.513 1.00 0.00 H ATOM 1904 HE1 PHE A 123 3.587 3.833 11.320 1.00 0.00 H ATOM 1905 HD1 PHE A 123 1.248 4.667 11.305 1.00 0.00 H ATOM 1906 H PHE A 123 -2.208 7.256 9.971 1.00 0.00 H ATOM 1907 N ILE A 124 -0.024 8.923 8.003 1.00 23.01 N ATOM 1908 CA ILE A 124 0.477 9.856 7.001 1.00 25.05 C ATOM 1909 C ILE A 124 0.297 11.319 7.388 1.00 26.88 C ATOM 1910 O ILE A 124 1.189 12.139 7.176 1.00 26.46 O ATOM 1911 CB ILE A 124 -0.208 9.578 5.632 1.00 25.15 C ATOM 1912 CG1 ILE A 124 0.228 8.200 5.128 1.00 25.19 C ATOM 1913 CG2 ILE A 124 0.120 10.678 4.626 1.00 23.82 C ATOM 1914 CD1 ILE A 124 -0.378 7.802 3.807 1.00 29.82 C ATOM 1915 HA ILE A 124 1.551 9.688 6.928 1.00 0.00 H ATOM 1916 HB ILE A 124 -1.291 9.579 5.757 1.00 0.00 H ATOM 1917 HG12 ILE A 124 1.313 8.204 5.019 1.00 0.00 H ATOM 1918 HG13 ILE A 124 -0.059 7.458 5.873 1.00 0.00 H ATOM 1919 HD11 ILE A 124 -1.464 7.779 3.899 1.00 0.00 H ATOM 1920 HD12 ILE A 124 -0.092 8.526 3.044 1.00 0.00 H ATOM 1921 HD13 ILE A 124 -0.015 6.813 3.525 1.00 0.00 H ATOM 1922 HG21 ILE A 124 -0.234 11.635 5.008 1.00 0.00 H ATOM 1923 HG22 ILE A 124 1.199 10.722 4.476 1.00 0.00 H ATOM 1924 HG23 ILE A 124 -0.371 10.460 3.678 1.00 0.00 H ATOM 1925 H ILE A 124 -0.871 8.362 7.779 1.00 0.00 H ATOM 1926 N GLU A 125 -0.859 11.643 7.955 1.00 29.91 N ATOM 1927 CA GLU A 125 -1.139 13.006 8.370 1.00 32.12 C ATOM 1928 C GLU A 125 -0.144 13.459 9.421 1.00 32.03 C ATOM 1929 O GLU A 125 0.330 14.595 9.395 1.00 33.12 O ATOM 1930 CB GLU A 125 -2.554 13.111 8.946 1.00 35.74 C ATOM 1931 CG GLU A 125 -3.666 13.156 7.908 1.00 42.51 C ATOM 1932 CD GLU A 125 -3.805 14.515 7.241 1.00 47.29 C ATOM 1933 OE1 GLU A 125 -4.649 14.641 6.326 1.00 52.22 O ATOM 1934 OE2 GLU A 125 -3.079 15.459 7.628 1.00 49.45 O ATOM 1935 HA GLU A 125 -1.055 13.646 7.492 1.00 0.00 H ATOM 1936 HB2 GLU A 125 -2.724 12.246 9.588 1.00 0.00 H ATOM 1937 HB3 GLU A 125 -2.610 14.021 9.543 1.00 0.00 H ATOM 1938 HG2 GLU A 125 -3.454 12.412 7.140 1.00 0.00 H ATOM 1939 HG3 GLU A 125 -4.608 12.912 8.398 1.00 0.00 H ATOM 1940 H GLU A 125 -1.578 10.906 8.105 1.00 0.00 H ATOM 1941 N ASN A 126 0.183 12.560 10.340 1.00 29.24 N ATOM 1942 CA ASN A 126 1.089 12.895 11.423 1.00 28.65 C ATOM 1943 C ASN A 126 2.570 12.631 11.165 1.00 28.60 C ATOM 1944 O ASN A 126 3.378 12.691 12.085 1.00 28.84 O ATOM 1945 CB ASN A 126 0.619 12.186 12.695 1.00 29.20 C ATOM 1946 CG ASN A 126 -0.731 12.713 13.191 1.00 30.22 C ATOM 1947 OD1 ASN A 126 -0.793 13.480 14.149 1.00 30.65 O ATOM 1948 ND2 ASN A 126 -1.813 12.312 12.525 1.00 27.03 N ATOM 1949 HA ASN A 126 1.040 13.979 11.528 1.00 0.00 H ATOM 1950 HB2 ASN A 126 0.524 11.120 12.488 1.00 0.00 H ATOM 1951 HB3 ASN A 126 1.363 12.338 13.477 1.00 0.00 H ATOM 1952 HD22 ASN A 126 -1.716 11.662 11.719 1.00 0.00 H ATOM 1953 HD21 ASN A 126 -2.754 12.649 12.811 1.00 0.00 H ATOM 1954 H ASN A 126 -0.216 11.601 10.284 1.00 0.00 H ATOM 1955 N ASN A 127 2.926 12.353 9.915 1.00 28.15 N ATOM 1956 CA ASN A 127 4.322 12.116 9.556 1.00 27.94 C ATOM 1957 C ASN A 127 4.981 11.059 10.432 1.00 28.50 C ATOM 1958 O ASN A 127 6.123 11.230 10.859 1.00 27.64 O ATOM 1959 CB ASN A 127 5.111 13.424 9.672 1.00 29.28 C ATOM 1960 CG ASN A 127 4.602 14.498 8.733 1.00 30.84 C ATOM 1961 OD1 ASN A 127 4.604 14.322 7.516 1.00 33.47 O ATOM 1962 ND2 ASN A 127 4.160 15.619 9.295 1.00 30.20 N ATOM 1963 HA ASN A 127 4.331 11.748 8.530 1.00 0.00 H ATOM 1964 HB2 ASN A 127 5.032 13.790 10.696 1.00 0.00 H ATOM 1965 HB3 ASN A 127 6.157 13.223 9.439 1.00 0.00 H ATOM 1966 HD22 ASN A 127 4.177 15.724 10.330 1.00 0.00 H ATOM 1967 HD21 ASN A 127 3.797 16.391 8.700 1.00 0.00 H ATOM 1968 H ASN A 127 2.195 12.303 9.177 1.00 0.00 H ATOM 1969 N LEU A 128 4.271 9.968 10.697 1.00 28.24 N ATOM 1970 CA LEU A 128 4.811 8.914 11.541 1.00 27.80 C ATOM 1971 C LEU A 128 5.981 8.144 10.940 1.00 27.85 C ATOM 1972 O LEU A 128 6.788 7.578 11.671 1.00 27.19 O ATOM 1973 CB LEU A 128 3.695 7.950 11.955 1.00 27.52 C ATOM 1974 CG LEU A 128 3.056 8.223 13.322 1.00 26.99 C ATOM 1975 CD1 LEU A 128 2.784 9.699 13.491 1.00 27.54 C ATOM 1976 CD2 LEU A 128 1.782 7.420 13.458 1.00 27.41 C ATOM 1977 HA LEU A 128 5.223 9.422 12.413 1.00 0.00 H ATOM 1978 HB2 LEU A 128 2.910 8.002 11.201 1.00 0.00 H ATOM 1979 HB3 LEU A 128 4.112 6.943 11.974 1.00 0.00 H ATOM 1980 HG LEU A 128 3.747 7.917 14.108 1.00 0.00 H ATOM 1981 HD21 LEU A 128 1.087 7.708 12.669 1.00 0.00 H ATOM 1982 HD22 LEU A 128 2.012 6.358 13.372 1.00 0.00 H ATOM 1983 HD23 LEU A 128 1.332 7.617 14.431 1.00 0.00 H ATOM 1984 HD11 LEU A 128 3.722 10.250 13.420 1.00 0.00 H ATOM 1985 HD12 LEU A 128 2.104 10.034 12.708 1.00 0.00 H ATOM 1986 HD13 LEU A 128 2.331 9.874 14.467 1.00 0.00 H ATOM 1987 H LEU A 128 3.317 9.866 10.296 1.00 0.00 H ATOM 1988 N MET A 129 6.097 8.118 9.621 1.00 29.21 N ATOM 1989 CA MET A 129 7.219 7.400 9.029 1.00 33.04 C ATOM 1990 C MET A 129 8.536 8.091 9.388 1.00 35.15 C ATOM 1991 O MET A 129 9.606 7.492 9.282 1.00 35.50 O ATOM 1992 CB MET A 129 7.075 7.296 7.501 1.00 33.90 C ATOM 1993 CG MET A 129 7.055 8.614 6.748 1.00 33.21 C ATOM 1994 SD MET A 129 5.535 9.527 7.029 1.00 38.76 S ATOM 1995 CE MET A 129 4.371 8.613 6.014 1.00 35.52 C ATOM 1996 HA MET A 129 7.222 6.389 9.436 1.00 0.00 H ATOM 1997 HB2 MET A 129 7.913 6.708 7.125 1.00 0.00 H ATOM 1998 HB3 MET A 129 6.142 6.774 7.287 1.00 0.00 H ATOM 1999 HG2 MET A 129 7.152 8.412 5.681 1.00 0.00 H ATOM 2000 HG3 MET A 129 7.897 9.222 7.079 1.00 0.00 H ATOM 2001 HE1 MET A 129 4.701 8.635 4.975 1.00 0.00 H ATOM 2002 HE2 MET A 129 4.323 7.580 6.359 1.00 0.00 H ATOM 2003 HE3 MET A 129 3.385 9.070 6.093 1.00 0.00 H ATOM 2004 H MET A 129 5.400 8.601 9.019 1.00 0.00 H ATOM 2005 N ASN A 130 8.449 9.349 9.825 1.00 36.36 N ATOM 2006 CA ASN A 130 9.634 10.121 10.199 1.00 37.54 C ATOM 2007 C ASN A 130 10.205 9.719 11.557 1.00 38.84 C ATOM 2008 O ASN A 130 11.367 9.999 11.849 1.00 39.68 O ATOM 2009 CB ASN A 130 9.323 11.624 10.215 1.00 36.31 C ATOM 2010 CG ASN A 130 8.985 12.167 8.837 1.00 36.86 C ATOM 2011 OD1 ASN A 130 9.672 11.869 7.860 1.00 37.84 O ATOM 2012 ND2 ASN A 130 7.931 12.978 8.752 1.00 35.44 N ATOM 2013 HA ASN A 130 10.386 9.900 9.441 1.00 0.00 H ATOM 2014 HB2 ASN A 130 8.474 11.798 10.877 1.00 0.00 H ATOM 2015 HB3 ASN A 130 10.194 12.157 10.596 1.00 0.00 H ATOM 2016 HD22 ASN A 130 7.378 13.203 9.604 1.00 0.00 H ATOM 2017 HD21 ASN A 130 7.661 13.386 7.834 1.00 0.00 H ATOM 2018 H ASN A 130 7.512 9.793 9.902 1.00 0.00 H ATOM 2019 N HIS A 131 9.385 9.072 12.384 1.00 39.38 N ATOM 2020 CA HIS A 131 9.806 8.634 13.713 1.00 39.92 C ATOM 2021 C HIS A 131 9.714 7.115 13.842 1.00 39.44 C ATOM 2022 O HIS A 131 9.692 6.585 14.951 1.00 39.61 O ATOM 2023 CB HIS A 131 8.919 9.270 14.792 1.00 42.25 C ATOM 2024 CG HIS A 131 8.803 10.760 14.689 1.00 45.22 C ATOM 2025 ND1 HIS A 131 8.177 11.388 13.632 1.00 46.37 N ATOM 2026 CD2 HIS A 131 9.232 11.746 15.513 1.00 45.58 C ATOM 2027 CE1 HIS A 131 8.225 12.696 13.809 1.00 46.92 C ATOM 2028 NE2 HIS A 131 8.860 12.940 14.943 1.00 47.37 N ATOM 2029 HA HIS A 131 10.841 8.947 13.849 1.00 0.00 H ATOM 2030 HB2 HIS A 131 7.920 8.842 14.710 1.00 0.00 H ATOM 2031 HB3 HIS A 131 9.338 9.026 15.768 1.00 0.00 H ATOM 2032 HD2 HIS A 131 9.771 11.617 16.452 1.00 0.00 H ATOM 2033 HE1 HIS A 131 7.812 13.446 13.135 1.00 0.00 H ATOM 2034 H HIS A 131 8.413 8.872 12.073 1.00 0.00 H ATOM 2035 N PHE A 132 9.658 6.415 12.715 1.00 40.02 N ATOM 2036 CA PHE A 132 9.543 4.965 12.751 1.00 39.89 C ATOM 2037 C PHE A 132 10.517 4.285 11.801 1.00 42.91 C ATOM 2038 O PHE A 132 10.136 3.799 10.731 1.00 42.24 O ATOM 2039 CB PHE A 132 8.107 4.557 12.424 1.00 36.76 C ATOM 2040 CG PHE A 132 7.771 3.154 12.828 1.00 33.55 C ATOM 2041 CD1 PHE A 132 8.028 2.714 14.126 1.00 31.95 C ATOM 2042 CD2 PHE A 132 7.203 2.268 11.917 1.00 31.88 C ATOM 2043 CE1 PHE A 132 7.725 1.412 14.510 1.00 31.04 C ATOM 2044 CE2 PHE A 132 6.894 0.960 12.292 1.00 30.57 C ATOM 2045 CZ PHE A 132 7.156 0.531 13.590 1.00 30.76 C ATOM 2046 HA PHE A 132 9.800 4.636 13.758 1.00 0.00 H ATOM 2047 HB2 PHE A 132 7.430 5.236 12.942 1.00 0.00 H ATOM 2048 HB3 PHE A 132 7.959 4.650 11.348 1.00 0.00 H ATOM 2049 HD2 PHE A 132 6.997 2.600 10.899 1.00 0.00 H ATOM 2050 HE2 PHE A 132 6.448 0.276 11.570 1.00 0.00 H ATOM 2051 HZ PHE A 132 6.917 -0.490 13.887 1.00 0.00 H ATOM 2052 HE1 PHE A 132 7.932 1.081 15.528 1.00 0.00 H ATOM 2053 HD1 PHE A 132 8.472 3.399 14.849 1.00 0.00 H ATOM 2054 H PHE A 132 9.697 6.907 11.800 1.00 0.00 H ATOM 2055 N PRO A 133 11.800 4.238 12.192 1.00 45.59 N ATOM 2056 CA PRO A 133 12.880 3.628 11.413 1.00 47.05 C ATOM 2057 C PRO A 133 12.924 2.121 11.605 1.00 48.52 C ATOM 2058 O PRO A 133 13.358 1.645 12.655 1.00 48.36 O ATOM 2059 CB PRO A 133 14.146 4.279 11.985 1.00 47.23 C ATOM 2060 CG PRO A 133 13.644 5.432 12.833 1.00 47.75 C ATOM 2061 CD PRO A 133 12.349 4.918 13.372 1.00 46.37 C ATOM 2062 HA PRO A 133 12.759 3.785 10.341 1.00 0.00 H ATOM 2063 HD3 PRO A 133 12.507 4.223 14.197 1.00 0.00 H ATOM 2064 HD2 PRO A 133 11.702 5.731 13.702 1.00 0.00 H ATOM 2065 HG3 PRO A 133 13.489 6.325 12.227 1.00 0.00 H ATOM 2066 HG2 PRO A 133 14.342 5.658 13.639 1.00 0.00 H ATOM 2067 HB2 PRO A 133 14.701 3.567 12.596 1.00 0.00 H ATOM 2068 HB3 PRO A 133 14.786 4.644 11.182 1.00 0.00 H ATOM 2069 N LEU A 134 12.475 1.367 10.607 1.00 50.09 N ATOM 2070 CA LEU A 134 12.523 -0.084 10.712 1.00 52.60 C ATOM 2071 C LEU A 134 13.959 -0.515 10.442 1.00 56.00 C ATOM 2072 O LEU A 134 14.235 -1.682 10.161 1.00 55.88 O ATOM 2073 CB LEU A 134 11.559 -0.747 9.721 1.00 50.28 C ATOM 2074 CG LEU A 134 10.105 -0.820 10.196 1.00 48.35 C ATOM 2075 CD1 LEU A 134 9.548 0.582 10.308 1.00 49.91 C ATOM 2076 CD2 LEU A 134 9.272 -1.641 9.232 1.00 47.34 C ATOM 2077 HA LEU A 134 12.211 -0.397 11.708 1.00 0.00 H ATOM 2078 HB2 LEU A 134 11.585 -0.180 8.790 1.00 0.00 H ATOM 2079 HB3 LEU A 134 11.908 -1.763 9.536 1.00 0.00 H ATOM 2080 HG LEU A 134 10.070 -1.304 11.172 1.00 0.00 H ATOM 2081 HD21 LEU A 134 9.300 -1.179 8.245 1.00 0.00 H ATOM 2082 HD22 LEU A 134 9.677 -2.651 9.173 1.00 0.00 H ATOM 2083 HD23 LEU A 134 8.242 -1.681 9.587 1.00 0.00 H ATOM 2084 HD11 LEU A 134 10.140 1.151 11.025 1.00 0.00 H ATOM 2085 HD12 LEU A 134 9.591 1.068 9.333 1.00 0.00 H ATOM 2086 HD13 LEU A 134 8.513 0.534 10.646 1.00 0.00 H ATOM 2087 H LEU A 134 12.089 1.814 9.751 1.00 0.00 H ATOM 2088 N GLU A 135 14.867 0.455 10.532 1.00 59.71 N ATOM 2089 CA GLU A 135 16.290 0.220 10.333 1.00 63.17 C ATOM 2090 C GLU A 135 16.562 -0.534 9.029 1.00 64.01 C ATOM 2091 O GLU A 135 17.038 -1.690 9.091 1.00 64.09 O ATOM 2092 CB GLU A 135 16.838 -0.553 11.538 1.00 64.54 C ATOM 2093 CG GLU A 135 18.328 -0.773 11.523 1.00 68.44 C ATOM 2094 CD GLU A 135 18.801 -1.510 12.754 1.00 71.69 C ATOM 2095 OE1 GLU A 135 18.185 -2.544 13.094 1.00 72.83 O ATOM 2096 OE2 GLU A 135 19.788 -1.060 13.377 1.00 73.55 O ATOM 2097 HA GLU A 135 16.798 1.181 10.252 1.00 0.00 H ATOM 2098 OXT GLU A 135 16.287 0.047 7.954 1.00 64.92 O ATOM 2099 HB2 GLU A 135 16.586 0.003 12.441 1.00 0.00 H ATOM 2100 HB3 GLU A 135 16.351 -1.528 11.566 1.00 0.00 H ATOM 2101 HG2 GLU A 135 18.589 -1.357 10.640 1.00 0.00 H ATOM 2102 HG3 GLU A 135 18.827 0.195 11.478 1.00 0.00 H ATOM 2103 H GLU A 135 14.547 1.419 10.753 1.00 0.00 H TER 2104 GLU A 135 HETATM 2105 O HOH 1 -4.476 -6.137 25.199 1.00 21.77 O HETATM 2106 O HOH 2 -3.284 -6.706 27.285 1.00 58.56 O HETATM 2107 O HOH 3 -14.020 -11.172 9.088 1.00 21.81 O HETATM 2108 O HOH 4 -10.797 -11.602 1.913 1.00 25.11 O HETATM 2109 O HOH 5 -10.040 -9.995 11.343 1.00 14.71 O HETATM 2110 O HOH 6 -6.832 -12.217 13.144 1.00 30.43 O HETATM 2111 O HOH 7 -3.108 -12.945 13.447 1.00 28.39 O HETATM 2112 O HOH 8 -12.905 -12.716 17.085 1.00 37.83 O HETATM 2113 O HOH 9 -6.386 12.161 7.974 1.00 40.88 O HETATM 2114 O HOH 10 -1.280 -3.359 0.447 1.00 33.49 O HETATM 2115 O HOH 11 0.478 -11.165 21.832 1.00 15.40 O HETATM 2116 O HOH 12 11.075 -9.636 19.487 1.00 20.79 O HETATM 2117 O HOH 13 -3.835 1.879 3.383 1.00 18.26 O HETATM 2118 O HOH 14 -1.919 -6.095 0.955 1.00 25.50 O HETATM 2119 O HOH 15 12.000 -3.839 4.183 1.00 24.42 O HETATM 2120 O HOH 16 11.129 10.834 20.016 1.00 32.16 O HETATM 2121 O HOH 17 -1.401 -10.549 36.889 1.00 41.87 O HETATM 2122 O HOH 18 -0.218 -12.725 16.659 1.00 26.51 O HETATM 2123 O HOH 19 -5.669 -9.810 32.616 1.00 38.09 O HETATM 2124 O HOH 20 -4.272 -9.561 19.539 1.00 18.65 O HETATM 2125 O HOH 21 3.954 8.442 -2.412 1.00 24.75 O HETATM 2126 O HOH 22 3.926 -3.604 -3.279 1.00 24.01 O HETATM 2127 O HOH 23 13.092 -7.302 0.665 1.00 19.76 O HETATM 2128 O HOH 24 8.082 -10.315 19.738 1.00 17.64 O HETATM 2129 O HOH 25 0.206 12.441 25.933 1.00 29.72 O HETATM 2130 O HOH 26 -5.001 3.432 1.424 1.00 16.49 O HETATM 2131 O HOH 27 13.689 -6.891 -1.745 1.00 31.00 O HETATM 2132 N THR A 28 -12.289 3.440 29.903 1.00 0.24 N HETATM 2133 CA THR A 28 -12.294 4.611 28.979 1.00 0.09 C HETATM 2134 C THR A 28 -11.174 4.480 27.956 1.00 0.23 C HETATM 2135 O THR A 28 -10.150 3.844 28.212 1.00 -0.39 O HETATM 2136 N THR A 28 -11.387 5.084 26.793 1.00 -0.26 N HETATM 2137 CA THR A 28 -10.401 5.070 25.722 1.00 0.13 C HETATM 2138 C THR A 28 -9.237 5.954 26.148 1.00 0.20 C HETATM 2139 O THR A 28 -8.104 5.790 25.697 1.00 -0.39 O HETATM 2140 N THR A 28 -9.534 6.885 27.043 1.00 -0.26 N HETATM 2141 CA THR A 28 -8.540 7.814 27.548 1.00 0.13 C HETATM 2142 C THR A 28 -7.552 7.128 28.480 1.00 0.20 C HETATM 2143 O THR A 28 -6.373 7.470 28.504 1.00 -0.39 O HETATM 2144 N THR A 28 -8.032 6.160 29.249 1.00 -0.26 N HETATM 2145 CA THR A 28 -7.154 5.430 30.148 1.00 0.15 C HETATM 2146 C THR A 28 -6.225 4.550 29.322 1.00 0.21 C HETATM 2147 O THR A 28 -5.016 4.510 29.561 1.00 -0.39 O HETATM 2148 N THR A 28 -6.794 3.848 28.346 1.00 -0.26 N HETATM 2149 CA THR A 28 -6.009 2.982 27.480 1.00 0.13 C HETATM 2150 C THR A 28 -4.917 3.814 26.832 1.00 0.20 C HETATM 2151 O THR A 28 -3.794 3.354 26.634 1.00 -0.39 O HETATM 2152 N THR A 28 -5.273 5.047 26.498 1.00 -0.26 N HETATM 2153 CA THR A 28 -4.350 5.970 25.865 1.00 0.15 C HETATM 2154 C THR A 28 -3.162 6.290 26.770 1.00 0.21 C HETATM 2155 O THR A 28 -2.032 6.428 26.296 1.00 -0.39 O HETATM 2156 N THR A 28 -3.408 6.408 28.071 1.00 -0.26 N HETATM 2157 CA THR A 28 -2.320 6.713 28.995 1.00 0.13 C HETATM 2158 C THR A 28 -1.436 5.485 29.157 1.00 0.20 C HETATM 2159 O THR A 28 -0.209 5.587 29.187 1.00 -0.39 O HETATM 2160 N THR A 28 -2.073 4.322 29.247 1.00 -0.26 N HETATM 2161 CA THR A 28 -1.363 3.056 29.400 1.00 0.13 C HETATM 2162 C THR A 28 -0.478 2.735 28.185 1.00 0.20 C HETATM 2163 O THR A 28 0.643 2.220 28.332 1.00 -0.39 O HETATM 2164 N THR A 28 -0.980 3.048 26.991 1.00 -0.26 N HETATM 2165 CA THR A 28 -0.236 2.810 25.763 1.00 0.13 C HETATM 2166 C THR A 28 0.950 3.763 25.672 1.00 0.20 C HETATM 2167 O THR A 28 2.003 3.401 25.148 1.00 -0.39 O HETATM 2168 N THR A 28 0.779 4.984 26.177 1.00 -0.26 N HETATM 2169 CA THR A 28 1.864 5.965 26.160 1.00 0.13 C HETATM 2170 C THR A 28 2.931 5.560 27.159 1.00 0.20 C HETATM 2171 O THR A 28 4.125 5.690 26.888 1.00 -0.39 O HETATM 2172 N THR A 28 2.497 5.062 28.312 1.00 -0.26 N HETATM 2173 CA THR A 28 3.424 4.611 29.339 1.00 0.13 C HETATM 2174 C THR A 28 4.244 3.453 28.794 1.00 0.20 C HETATM 2175 O THR A 28 5.469 3.401 28.966 1.00 -0.39 O HETATM 2176 N THR A 28 3.553 2.530 28.132 1.00 -0.26 N HETATM 2177 CA THR A 28 4.192 1.355 27.557 1.00 0.16 C HETATM 2178 C THR A 28 5.111 1.747 26.398 1.00 0.21 C HETATM 2179 O THR A 28 6.221 1.226 26.274 1.00 -0.39 O HETATM 2180 N THR A 28 4.650 2.669 25.558 1.00 -0.27 N HETATM 2181 CA THR A 28 5.453 3.099 24.428 1.00 0.12 C HETATM 2182 C THR A 28 6.720 3.787 24.884 1.00 0.20 C HETATM 2183 O THR A 28 7.794 3.578 24.312 1.00 -0.39 O HETATM 2184 N THR A 28 6.604 4.614 25.919 1.00 -0.26 N HETATM 2185 CA THR A 28 7.764 5.319 26.443 1.00 0.14 C HETATM 2186 C THR A 28 8.748 4.352 27.097 1.00 0.21 C HETATM 2187 O THR A 28 9.966 4.490 26.941 1.00 -0.39 O HETATM 2188 N THR A 28 8.222 3.369 27.820 1.00 -0.26 N HETATM 2189 CA THR A 28 9.072 2.385 28.483 1.00 0.13 C HETATM 2190 C THR A 28 9.550 1.324 27.504 1.00 0.20 C HETATM 2191 O THR A 28 10.465 0.567 27.809 1.00 -0.39 O HETATM 2192 N THR A 28 8.918 1.265 26.336 1.00 -0.26 N HETATM 2193 CA THR A 28 9.278 0.282 25.322 1.00 0.14 C HETATM 2194 C THR A 28 10.660 0.566 24.756 1.00 0.21 C HETATM 2195 O THR A 28 11.495 -0.331 24.652 1.00 -0.39 O HETATM 2196 N THR A 28 10.885 1.819 24.373 1.00 -0.26 N HETATM 2197 CA THR A 28 12.166 2.235 23.810 1.00 0.14 C HETATM 2198 C THR A 28 13.300 1.930 24.786 1.00 0.21 C HETATM 2199 O THR A 28 14.468 1.854 24.400 1.00 -0.39 O HETATM 2200 N THR A 28 12.938 1.754 26.052 1.00 -0.26 N HETATM 2201 CA THR A 28 13.899 1.463 27.104 1.00 0.13 C HETATM 2202 C THR A 28 13.976 -0.044 27.359 1.00 0.20 C HETATM 2203 O THR A 28 14.730 -0.766 26.704 1.00 -0.39 O HETATM 2204 N THR A 28 13.177 -0.492 28.321 1.00 -0.27 N HETATM 2205 CA THR A 28 13.082 -1.887 28.735 1.00 0.10 C HETATM 2206 C THR A 28 12.975 -2.890 27.583 1.00 0.06 C HETATM 2207 O THR A 28 13.794 -3.834 27.541 1.00 -0.57 O HETATM 2208 OXT THR A 28 12.069 -2.732 26.742 1.00 -0.57 O HETATM 2209 CB THR A 28 11.880 -2.019 29.668 1.00 -0.01 C HETATM 2210 CG THR A 28 11.417 -3.423 29.954 1.00 -0.00 C HETATM 2211 SD THR A 28 10.042 -3.362 31.123 1.00 -0.16 S HETATM 2212 CE THR A 28 8.876 -2.294 30.257 1.00 -0.02 C HETATM 2213 H161 THR A 28 7.971 -2.167 30.869 1.00 0.03 H HETATM 2214 H162 THR A 28 8.606 -2.751 29.293 1.00 0.03 H HETATM 2215 H163 THR A 28 9.339 -1.312 30.081 1.00 0.03 H HETATM 2216 H159 THR A 28 12.245 -4.003 30.388 1.00 0.04 H HETATM 2217 H160 THR A 28 11.086 -3.900 29.020 1.00 0.04 H HETATM 2218 H157 THR A 28 11.040 -1.474 29.213 1.00 0.03 H HETATM 2219 H158 THR A 28 12.145 -1.550 30.627 1.00 0.03 H HETATM 2220 H156 THR A 28 13.994 -2.133 29.299 1.00 0.07 H HETATM 2221 H155 THR A 28 12.600 0.174 28.794 1.00 0.19 H HETATM 2222 CB THR A 28 13.488 2.168 28.416 1.00 -0.00 C HETATM 2223 CG1 THR A 28 13.205 3.647 28.143 1.00 -0.05 C HETATM 2224 CD1 THR A 28 12.688 4.402 29.349 1.00 -0.06 C HETATM 2225 H152 THR A 28 12.509 5.452 29.075 1.00 0.02 H HETATM 2226 H153 THR A 28 13.432 4.356 30.157 1.00 0.02 H HETATM 2227 H154 THR A 28 11.747 3.947 29.691 1.00 0.02 H HETATM 2228 H147 THR A 28 12.453 3.715 27.343 1.00 0.03 H HETATM 2229 H148 THR A 28 14.139 4.123 27.810 1.00 0.03 H HETATM 2230 CG2 THR A 28 14.587 2.020 29.456 1.00 -0.06 C HETATM 2231 H149 THR A 28 14.777 0.952 29.639 1.00 0.02 H HETATM 2232 H150 THR A 28 14.273 2.503 30.393 1.00 0.02 H HETATM 2233 H151 THR A 28 15.507 2.498 29.088 1.00 0.02 H HETATM 2234 H146 THR A 28 12.572 1.697 28.801 1.00 0.03 H HETATM 2235 H145 THR A 28 14.889 1.827 26.792 1.00 0.08 H HETATM 2236 H144 THR A 28 11.969 1.824 26.290 1.00 0.19 H HETATM 2237 CB THR A 28 12.141 3.736 23.499 1.00 0.04 C HETATM 2238 CG THR A 28 11.082 4.104 22.473 1.00 0.04 C HETATM 2239 OD1 THR A 28 11.200 3.684 21.303 1.00 -0.57 O HETATM 2240 OD2 THR A 28 10.125 4.815 22.838 1.00 -0.57 O HETATM 2241 H142 THR A 28 13.126 4.031 23.109 1.00 0.05 H HETATM 2242 H143 THR A 28 11.935 4.285 24.430 1.00 0.05 H HETATM 2243 H141 THR A 28 12.341 1.680 22.877 1.00 0.08 H HETATM 2244 H140 THR A 28 10.156 2.496 24.474 1.00 0.19 H HETATM 2245 CB THR A 28 8.261 0.294 24.180 1.00 0.02 C HETATM 2246 CG THR A 28 8.529 -0.739 23.122 1.00 -0.04 C HETATM 2247 CD1 THR A 28 8.033 -2.033 23.252 1.00 -0.06 C HETATM 2248 CE1 THR A 28 8.295 -3.000 22.286 1.00 -0.07 C HETATM 2249 CZ THR A 28 9.063 -2.678 21.173 1.00 -0.07 C HETATM 2250 CE2 THR A 28 9.567 -1.384 21.029 1.00 -0.07 C HETATM 2251 CD2 THR A 28 9.297 -0.425 22.001 1.00 -0.06 C HETATM 2252 H136 THR A 28 9.689 0.579 21.885 1.00 0.06 H HETATM 2253 H138 THR A 28 10.166 -1.127 20.163 1.00 0.06 H HETATM 2254 H139 THR A 28 9.270 -3.429 20.419 1.00 0.06 H HETATM 2255 H137 THR A 28 7.901 -4.003 22.401 1.00 0.06 H HETATM 2256 H135 THR A 28 7.434 -2.291 24.118 1.00 0.06 H HETATM 2257 H133 THR A 28 8.280 1.288 23.708 1.00 0.05 H HETATM 2258 H134 THR A 28 7.263 0.108 24.602 1.00 0.05 H HETATM 2259 H132 THR A 28 9.282 -0.715 25.787 1.00 0.08 H HETATM 2260 H131 THR A 28 8.178 1.911 26.149 1.00 0.19 H HETATM 2261 CB THR A 28 8.316 1.688 29.618 1.00 -0.01 C HETATM 2262 CG THR A 28 7.860 2.544 30.800 1.00 -0.04 C HETATM 2263 CD1 THR A 28 7.136 1.658 31.791 1.00 -0.06 C HETATM 2264 H125 THR A 28 6.802 2.262 32.647 1.00 0.02 H HETATM 2265 H126 THR A 28 7.816 0.869 32.142 1.00 0.02 H HETATM 2266 H127 THR A 28 6.263 1.200 31.303 1.00 0.02 H HETATM 2267 CD2 THR A 28 9.059 3.222 31.461 1.00 -0.06 C HETATM 2268 H128 THR A 28 9.571 3.860 30.726 1.00 0.02 H HETATM 2269 H129 THR A 28 9.757 2.455 31.829 1.00 0.02 H HETATM 2270 H130 THR A 28 8.713 3.838 32.304 1.00 0.02 H HETATM 2271 H124 THR A 28 7.169 3.320 30.439 1.00 0.03 H HETATM 2272 H122 THR A 28 8.974 0.902 30.017 1.00 0.03 H HETATM 2273 H123 THR A 28 7.418 1.228 29.180 1.00 0.03 H HETATM 2274 H121 THR A 28 9.946 2.905 28.901 1.00 0.08 H HETATM 2275 H120 THR A 28 7.228 3.302 27.911 1.00 0.19 H HETATM 2276 CB THR A 28 7.330 6.392 27.442 1.00 0.04 C HETATM 2277 CG THR A 28 6.419 7.442 26.813 1.00 0.04 C HETATM 2278 OD1 THR A 28 6.582 7.719 25.603 1.00 -0.57 O HETATM 2279 OD2 THR A 28 5.550 7.996 27.529 1.00 -0.57 O HETATM 2280 H118 THR A 28 8.227 6.893 27.834 1.00 0.05 H HETATM 2281 H119 THR A 28 6.791 5.907 28.269 1.00 0.05 H HETATM 2282 H117 THR A 28 8.274 5.813 25.603 1.00 0.08 H HETATM 2283 H116 THR A 28 5.709 4.753 26.342 1.00 0.19 H HETATM 2284 H114 THR A 28 4.865 3.800 23.817 1.00 0.08 H HETATM 2285 H115 THR A 28 5.721 2.220 23.823 1.00 0.08 H HETATM 2286 H113 THR A 28 3.745 3.068 25.706 1.00 0.19 H HETATM 2287 CB THR A 28 3.141 0.332 27.050 1.00 0.09 C HETATM 2288 OG1 THR A 28 2.197 0.053 28.094 1.00 -0.39 O HETATM 2289 H109 THR A 28 1.759 0.857 28.346 1.00 0.21 H HETATM 2290 CG2 THR A 28 3.829 -0.983 26.627 1.00 -0.03 C HETATM 2291 H110 THR A 28 3.070 -1.696 26.271 1.00 0.03 H HETATM 2292 H111 THR A 28 4.360 -1.413 27.489 1.00 0.03 H HETATM 2293 H112 THR A 28 4.547 -0.778 25.819 1.00 0.03 H HETATM 2294 H108 THR A 28 2.612 0.758 26.185 1.00 0.06 H HETATM 2295 H107 THR A 28 4.798 0.875 28.340 1.00 0.08 H HETATM 2296 H106 THR A 28 2.566 2.646 28.026 1.00 0.19 H HETATM 2297 CB THR A 28 2.674 4.121 30.594 1.00 -0.01 C HETATM 2298 CG1 THR A 28 3.620 3.358 31.499 1.00 -0.06 C HETATM 2299 H100 THR A 28 3.076 3.013 32.391 1.00 0.02 H HETATM 2300 H101 THR A 28 4.446 4.017 31.805 1.00 0.02 H HETATM 2301 H102 THR A 28 4.025 2.490 30.958 1.00 0.02 H HETATM 2302 CG2 THR A 28 2.068 5.316 31.333 1.00 -0.06 C HETATM 2303 H103 THR A 28 1.385 5.856 30.660 1.00 0.02 H HETATM 2304 H104 THR A 28 2.872 5.992 31.659 1.00 0.02 H HETATM 2305 H105 THR A 28 1.510 4.960 32.212 1.00 0.02 H HETATM 2306 H99 THR A 28 1.862 3.447 30.284 1.00 0.03 H HETATM 2307 H98 THR A 28 4.090 5.442 29.614 1.00 0.08 H HETATM 2308 H97 THR A 28 1.513 4.996 28.477 1.00 0.19 H HETATM 2309 CB THR A 28 1.341 7.370 26.480 1.00 -0.01 C HETATM 2310 CG THR A 28 0.753 8.059 25.260 1.00 -0.04 C HETATM 2311 CD THR A 28 0.203 9.434 25.565 1.00 -0.01 C HETATM 2312 CE THR A 28 -1.178 9.355 26.173 1.00 -0.04 C HETATM 2313 NZ THR A 28 -1.928 10.626 25.919 1.00 0.22 N HETATM 2314 H94 THR A 28 -2.847 10.562 26.329 1.00 0.20 H HETATM 2315 H95 THR A 28 -2.013 10.773 24.925 1.00 0.20 H HETATM 2316 H96 THR A 28 -1.429 11.399 26.332 1.00 0.20 H HETATM 2317 H92 THR A 28 -1.089 9.196 27.258 1.00 0.08 H HETATM 2318 H93 THR A 28 -1.726 8.514 25.723 1.00 0.08 H HETATM 2319 H90 THR A 28 0.150 10.013 24.631 1.00 0.03 H HETATM 2320 H91 THR A 28 0.877 9.940 26.272 1.00 0.03 H HETATM 2321 H88 THR A 28 -0.062 7.435 24.864 1.00 0.03 H HETATM 2322 H89 THR A 28 1.541 8.158 24.499 1.00 0.03 H HETATM 2323 H86 THR A 28 2.174 7.979 26.863 1.00 0.03 H HETATM 2324 H87 THR A 28 0.561 7.290 27.251 1.00 0.03 H HETATM 2325 H85 THR A 28 2.308 5.979 25.154 1.00 0.08 H HETATM 2326 H84 THR A 28 -0.104 5.234 26.574 1.00 0.19 H HETATM 2327 CB THR A 28 -1.148 2.988 24.538 1.00 -0.01 C HETATM 2328 CG THR A 28 -2.207 1.902 24.287 1.00 -0.04 C HETATM 2329 CD1 THR A 28 -3.162 2.375 23.195 1.00 -0.06 C HETATM 2330 H78 THR A 28 -3.922 1.601 23.012 1.00 0.02 H HETATM 2331 H79 THR A 28 -2.598 2.561 22.269 1.00 0.02 H HETATM 2332 H80 THR A 28 -3.655 3.304 23.517 1.00 0.02 H HETATM 2333 CD2 THR A 28 -1.535 0.580 23.896 1.00 -0.06 C HETATM 2334 H81 THR A 28 -0.854 0.263 24.700 1.00 0.02 H HETATM 2335 H82 THR A 28 -0.965 0.720 22.966 1.00 0.02 H HETATM 2336 H83 THR A 28 -2.304 -0.191 23.743 1.00 0.02 H HETATM 2337 H77 THR A 28 -2.780 1.742 25.213 1.00 0.03 H HETATM 2338 H75 THR A 28 -0.502 3.033 23.648 1.00 0.03 H HETATM 2339 H76 THR A 28 -1.677 3.945 24.655 1.00 0.03 H HETATM 2340 H74 THR A 28 0.141 1.777 25.775 1.00 0.08 H HETATM 2341 H73 THR A 28 -1.891 3.457 26.937 1.00 0.19 H HETATM 2342 CB THR A 28 -2.374 1.928 29.643 1.00 -0.01 C HETATM 2343 CG THR A 28 -3.186 2.107 30.932 1.00 -0.02 C HETATM 2344 CD THR A 28 -3.967 0.846 31.316 1.00 0.06 C HETATM 2345 NE THR A 28 -4.477 0.932 32.686 1.00 -0.27 N HETATM 2346 CZ THR A 28 -5.071 -0.061 33.346 1.00 0.29 C HETATM 2347 NH1 THR A 28 -5.245 -1.242 32.770 1.00 -0.28 N HETATM 2348 H69 THR A 28 -5.705 -2.005 33.287 1.00 0.26 H HETATM 2349 H70 THR A 28 -4.920 -1.397 31.805 1.00 0.26 H HETATM 2350 NH2 THR A 28 -5.491 0.125 34.591 1.00 -0.28 N HETATM 2351 H71 THR A 28 -5.360 1.039 35.047 1.00 0.26 H HETATM 2352 H72 THR A 28 -5.948 -0.645 35.101 1.00 0.26 H HETATM 2353 H68 THR A 28 -4.368 1.831 33.178 1.00 0.26 H HETATM 2354 H66 THR A 28 -3.301 -0.026 31.236 1.00 0.07 H HETATM 2355 H67 THR A 28 -4.814 0.725 30.625 1.00 0.07 H HETATM 2356 H64 THR A 28 -3.899 2.933 30.788 1.00 0.03 H HETATM 2357 H65 THR A 28 -2.496 2.357 31.751 1.00 0.03 H HETATM 2358 H62 THR A 28 -1.827 0.976 29.705 1.00 0.03 H HETATM 2359 H63 THR A 28 -3.071 1.895 28.793 1.00 0.03 H HETATM 2360 H61 THR A 28 -0.711 3.134 30.282 1.00 0.08 H HETATM 2361 H60 THR A 28 -3.072 4.314 29.209 1.00 0.19 H HETATM 2362 CB THR A 28 -2.867 7.138 30.356 1.00 -0.01 C HETATM 2363 CG THR A 28 -1.863 7.907 31.200 1.00 -0.02 C HETATM 2364 CD THR A 28 -2.346 8.044 32.637 1.00 0.06 C HETATM 2365 NE THR A 28 -1.443 8.868 33.442 1.00 -0.27 N HETATM 2366 CZ THR A 28 -1.476 8.950 34.770 1.00 0.29 C HETATM 2367 NH1 THR A 28 -2.368 8.257 35.467 1.00 -0.28 N HETATM 2368 H56 THR A 28 -2.386 8.327 36.495 1.00 0.26 H HETATM 2369 H57 THR A 28 -3.042 7.649 34.980 1.00 0.26 H HETATM 2370 NH2 THR A 28 -0.611 9.729 35.403 1.00 -0.28 N HETATM 2371 H58 THR A 28 0.084 10.269 34.867 1.00 0.26 H HETATM 2372 H59 THR A 28 -0.633 9.794 36.431 1.00 0.26 H HETATM 2373 H55 THR A 28 -0.732 9.424 32.946 1.00 0.26 H HETATM 2374 H53 THR A 28 -2.409 7.043 33.087 1.00 0.07 H HETATM 2375 H54 THR A 28 -3.343 8.509 32.634 1.00 0.07 H HETATM 2376 H51 THR A 28 -1.726 8.910 30.770 1.00 0.03 H HETATM 2377 H52 THR A 28 -0.903 7.371 31.193 1.00 0.03 H HETATM 2378 H49 THR A 28 -3.167 6.235 30.908 1.00 0.03 H HETATM 2379 H50 THR A 28 -3.747 7.777 30.193 1.00 0.03 H HETATM 2380 H48 THR A 28 -1.720 7.537 28.580 1.00 0.08 H HETATM 2381 H47 THR A 28 -4.339 6.288 28.417 1.00 0.19 H HETATM 2382 CB THR A 28 -5.081 7.257 25.494 1.00 0.08 C HETATM 2383 OG THR A 28 -4.224 8.123 24.775 1.00 -0.39 O HETATM 2384 H46 THR A 28 -4.694 8.918 24.552 1.00 0.21 H HETATM 2385 H44 THR A 28 -5.417 7.760 26.413 1.00 0.06 H HETATM 2386 H45 THR A 28 -5.953 7.011 24.871 1.00 0.06 H HETATM 2387 H43 THR A 28 -3.969 5.503 24.945 1.00 0.08 H HETATM 2388 H42 THR A 28 -6.207 5.350 26.688 1.00 0.19 H HETATM 2389 CB THR A 28 -6.888 2.384 26.384 1.00 -0.01 C HETATM 2390 CG THR A 28 -6.100 1.636 25.306 1.00 -0.04 C HETATM 2391 CD1 THR A 28 -5.461 0.403 25.915 1.00 -0.06 C HETATM 2392 H36 THR A 28 -4.894 -0.136 25.142 1.00 0.02 H HETATM 2393 H37 THR A 28 -6.245 -0.254 26.320 1.00 0.02 H HETATM 2394 H38 THR A 28 -4.781 0.705 26.725 1.00 0.02 H HETATM 2395 CD2 THR A 28 -7.023 1.254 24.161 1.00 -0.06 C HETATM 2396 H39 THR A 28 -7.474 2.162 23.735 1.00 0.02 H HETATM 2397 H40 THR A 28 -7.817 0.591 24.535 1.00 0.02 H HETATM 2398 H41 THR A 28 -6.446 0.732 23.383 1.00 0.02 H HETATM 2399 H35 THR A 28 -5.308 2.293 24.918 1.00 0.03 H HETATM 2400 H33 THR A 28 -7.447 3.200 25.903 1.00 0.03 H HETATM 2401 H34 THR A 28 -7.594 1.681 26.850 1.00 0.03 H HETATM 2402 H32 THR A 28 -5.561 2.172 28.075 1.00 0.08 H HETATM 2403 H31 THR A 28 -7.782 3.917 28.205 1.00 0.19 H HETATM 2404 CB THR A 28 -7.971 4.571 31.109 1.00 0.08 C HETATM 2405 CG THR A 28 -8.706 5.398 32.139 1.00 0.18 C HETATM 2406 OD1 THR A 28 -8.091 6.145 32.906 1.00 -0.40 O HETATM 2407 ND2 THR A 28 -10.029 5.271 32.168 1.00 -0.30 N HETATM 2408 H29 THR A 28 -10.567 5.794 32.829 1.00 0.18 H HETATM 2409 H30 THR A 28 -10.486 4.652 31.529 1.00 0.18 H HETATM 2410 H27 THR A 28 -7.292 3.880 31.630 1.00 0.06 H HETATM 2411 H28 THR A 28 -8.707 3.994 30.529 1.00 0.06 H HETATM 2412 H26 THR A 28 -6.555 6.146 30.730 1.00 0.08 H HETATM 2413 H25 THR A 28 -9.005 5.931 29.210 1.00 0.19 H HETATM 2414 CB THR A 28 -9.247 8.963 28.256 1.00 -0.00 C HETATM 2415 CG THR A 28 -10.189 9.699 27.322 1.00 0.00 C HETATM 2416 CD THR A 28 -10.927 10.829 27.996 1.00 0.04 C HETATM 2417 OE1 THR A 28 -11.568 11.620 27.267 1.00 -0.57 O HETATM 2418 OE2 THR A 28 -10.871 10.920 29.245 1.00 -0.57 O HETATM 2419 H23 THR A 28 -10.927 8.982 26.933 1.00 0.04 H HETATM 2420 H24 THR A 28 -9.603 10.112 26.488 1.00 0.04 H HETATM 2421 H21 THR A 28 -8.492 9.670 28.631 1.00 0.03 H HETATM 2422 H22 THR A 28 -9.825 8.560 29.101 1.00 0.03 H HETATM 2423 H20 THR A 28 -7.978 8.221 26.694 1.00 0.08 H HETATM 2424 H19 THR A 28 -10.473 6.949 27.381 1.00 0.19 H HETATM 2425 CB THR A 28 -11.045 5.584 24.422 1.00 -0.00 C HETATM 2426 CG THR A 28 -10.097 6.235 23.415 1.00 -0.00 C HETATM 2427 SD THR A 28 -9.661 7.943 23.856 1.00 -0.16 S HETATM 2428 CE THR A 28 -11.150 8.810 23.343 1.00 -0.02 C HETATM 2429 H16 THR A 28 -11.038 9.884 23.550 1.00 0.03 H HETATM 2430 H17 THR A 28 -12.013 8.417 23.900 1.00 0.03 H HETATM 2431 H18 THR A 28 -11.309 8.659 22.265 1.00 0.03 H HETATM 2432 H14 THR A 28 -10.583 6.240 22.428 1.00 0.04 H HETATM 2433 H15 THR A 28 -9.174 5.639 23.366 1.00 0.04 H HETATM 2434 H12 THR A 28 -11.807 6.328 24.696 1.00 0.03 H HETATM 2435 H13 THR A 28 -11.528 4.730 23.925 1.00 0.03 H HETATM 2436 H11 THR A 28 -10.040 4.043 25.562 1.00 0.08 H HETATM 2437 H10 THR A 28 -12.252 5.564 26.648 1.00 0.19 H HETATM 2438 CB THR A 28 -12.089 5.948 29.743 1.00 0.11 C HETATM 2439 OG1 THR A 28 -13.097 6.089 30.750 1.00 -0.38 O HETATM 2440 H6 THR A 28 -12.967 6.908 31.214 1.00 0.21 H HETATM 2441 CG2 THR A 28 -12.179 7.136 28.786 1.00 -0.03 C HETATM 2442 H7 THR A 28 -12.031 8.071 29.347 1.00 0.03 H HETATM 2443 H8 THR A 28 -13.170 7.148 28.308 1.00 0.03 H HETATM 2444 H9 THR A 28 -11.401 7.045 28.014 1.00 0.03 H HETATM 2445 H5 THR A 28 -11.097 5.941 30.218 1.00 0.07 H HETATM 2446 H4 THR A 28 -13.262 4.641 28.457 1.00 0.11 H HETATM 2447 H1 THR A 28 -12.424 2.593 29.373 1.00 0.20 H HETATM 2448 H2 THR A 28 -13.034 3.539 30.575 1.00 0.20 H HETATM 2449 H3 THR A 28 -11.405 3.397 30.386 1.00 0.20 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 2132 2133 2447 2448 2449 CONECT 2133 2132 2134 2438 2446 CONECT 2134 2133 2135 2136 CONECT 2135 2134 CONECT 2136 2134 2137 2437 CONECT 2137 2136 2138 2425 2436 CONECT 2138 2137 2139 2140 CONECT 2139 2138 CONECT 2140 2138 2141 2424 CONECT 2141 2140 2142 2414 2423 CONECT 2142 2141 2143 2144 CONECT 2143 2142 CONECT 2144 2142 2145 2413 CONECT 2145 2144 2146 2404 2412 CONECT 2146 2145 2147 2148 CONECT 2147 2146 CONECT 2148 2146 2149 2403 CONECT 2149 2148 2150 2389 2402 CONECT 2150 2149 2151 2152 CONECT 2151 2150 CONECT 2152 2150 2153 2388 CONECT 2153 2152 2154 2382 2387 CONECT 2154 2153 2155 2156 CONECT 2155 2154 CONECT 2156 2154 2157 2381 CONECT 2157 2156 2158 2362 2380 CONECT 2158 2157 2159 2160 CONECT 2159 2158 CONECT 2160 2158 2161 2361 CONECT 2161 2160 2162 2342 2360 CONECT 2162 2161 2163 2164 CONECT 2163 2162 CONECT 2164 2162 2165 2341 CONECT 2165 2164 2166 2327 2340 CONECT 2166 2165 2167 2168 CONECT 2167 2166 CONECT 2168 2166 2169 2326 CONECT 2169 2168 2170 2309 2325 CONECT 2170 2169 2171 2172 CONECT 2171 2170 CONECT 2172 2170 2173 2308 CONECT 2173 2172 2174 2297 2307 CONECT 2174 2173 2175 2176 CONECT 2175 2174 CONECT 2176 2174 2177 2296 CONECT 2177 2176 2178 2287 2295 CONECT 2178 2177 2179 2180 CONECT 2179 2178 CONECT 2180 2178 2181 2286 CONECT 2181 2180 2182 2284 2285 CONECT 2182 2181 2183 2184 CONECT 2183 2182 CONECT 2184 2182 2185 2283 CONECT 2185 2184 2186 2276 2282 CONECT 2186 2185 2187 2188 CONECT 2187 2186 CONECT 2188 2186 2189 2275 CONECT 2189 2188 2190 2261 2274 CONECT 2190 2189 2191 2192 CONECT 2191 2190 CONECT 2192 2190 2193 2260 CONECT 2193 2192 2194 2245 2259 CONECT 2194 2193 2195 2196 CONECT 2195 2194 CONECT 2196 2194 2197 2244 CONECT 2197 2196 2198 2237 2243 CONECT 2198 2197 2199 2200 CONECT 2199 2198 CONECT 2200 2198 2201 2236 CONECT 2201 2200 2202 2222 2235 CONECT 2202 2201 2203 2204 CONECT 2203 2202 CONECT 2204 2202 2205 2221 CONECT 2205 2204 2206 2209 2220 CONECT 2206 2205 2207 2208 CONECT 2207 2206 CONECT 2208 2206 CONECT 2209 2205 2210 2218 2219 CONECT 2210 2209 2211 2216 2217 CONECT 2211 2210 2212 CONECT 2212 2211 2213 2214 2215 CONECT 2213 2212 CONECT 2214 2212 CONECT 2215 2212 CONECT 2216 2210 CONECT 2217 2210 CONECT 2218 2209 CONECT 2219 2209 CONECT 2220 2205 CONECT 2221 2204 CONECT 2222 2201 2223 2230 2234 CONECT 2223 2222 2224 2228 2229 CONECT 2224 2223 2225 2226 2227 CONECT 2225 2224 CONECT 2226 2224 CONECT 2227 2224 CONECT 2228 2223 CONECT 2229 2223 CONECT 2230 2222 2231 2232 2233 CONECT 2231 2230 CONECT 2232 2230 CONECT 2233 2230 CONECT 2234 2222 CONECT 2235 2201 CONECT 2236 2200 CONECT 2237 2197 2238 2241 2242 CONECT 2238 2237 2239 2240 CONECT 2239 2238 CONECT 2240 2238 CONECT 2241 2237 CONECT 2242 2237 CONECT 2243 2197 CONECT 2244 2196 CONECT 2245 2193 2246 2257 2258 CONECT 2246 2245 2247 2251 CONECT 2247 2246 2248 2256 CONECT 2248 2247 2249 2255 CONECT 2249 2248 2250 2254 CONECT 2250 2249 2251 2253 CONECT 2251 2246 2250 2252 CONECT 2252 2251 CONECT 2253 2250 CONECT 2254 2249 CONECT 2255 2248 CONECT 2256 2247 CONECT 2257 2245 CONECT 2258 2245 CONECT 2259 2193 CONECT 2260 2192 CONECT 2261 2189 2262 2272 2273 CONECT 2262 2261 2263 2267 2271 CONECT 2263 2262 2264 2265 2266 CONECT 2264 2263 CONECT 2265 2263 CONECT 2266 2263 CONECT 2267 2262 2268 2269 2270 CONECT 2268 2267 CONECT 2269 2267 CONECT 2270 2267 CONECT 2271 2262 CONECT 2272 2261 CONECT 2273 2261 CONECT 2274 2189 CONECT 2275 2188 CONECT 2276 2185 2277 2280 2281 CONECT 2277 2276 2278 2279 CONECT 2278 2277 CONECT 2279 2277 CONECT 2280 2276 CONECT 2281 2276 CONECT 2282 2185 CONECT 2283 2184 CONECT 2284 2181 CONECT 2285 2181 CONECT 2286 2180 CONECT 2287 2177 2288 2290 2294 CONECT 2288 2287 2289 CONECT 2289 2288 CONECT 2290 2287 2291 2292 2293 CONECT 2291 2290 CONECT 2292 2290 CONECT 2293 2290 CONECT 2294 2287 CONECT 2295 2177 CONECT 2296 2176 CONECT 2297 2173 2298 2302 2306 CONECT 2298 2297 2299 2300 2301 CONECT 2299 2298 CONECT 2300 2298 CONECT 2301 2298 CONECT 2302 2297 2303 2304 2305 CONECT 2303 2302 CONECT 2304 2302 CONECT 2305 2302 CONECT 2306 2297 CONECT 2307 2173 CONECT 2308 2172 CONECT 2309 2169 2310 2323 2324 CONECT 2310 2309 2311 2321 2322 CONECT 2311 2310 2312 2319 2320 CONECT 2312 2311 2313 2317 2318 CONECT 2313 2312 2314 2315 2316 CONECT 2314 2313 CONECT 2315 2313 CONECT 2316 2313 CONECT 2317 2312 CONECT 2318 2312 CONECT 2319 2311 CONECT 2320 2311 CONECT 2321 2310 CONECT 2322 2310 CONECT 2323 2309 CONECT 2324 2309 CONECT 2325 2169 CONECT 2326 2168 CONECT 2327 2165 2328 2338 2339 CONECT 2328 2327 2329 2333 2337 CONECT 2329 2328 2330 2331 2332 CONECT 2330 2329 CONECT 2331 2329 CONECT 2332 2329 CONECT 2333 2328 2334 2335 2336 CONECT 2334 2333 CONECT 2335 2333 CONECT 2336 2333 CONECT 2337 2328 CONECT 2338 2327 CONECT 2339 2327 CONECT 2340 2165 CONECT 2341 2164 CONECT 2342 2161 2343 2358 2359 CONECT 2343 2342 2344 2356 2357 CONECT 2344 2343 2345 2354 2355 CONECT 2345 2344 2346 2353 CONECT 2346 2345 2347 2350 CONECT 2347 2346 2348 2349 CONECT 2348 2347 CONECT 2349 2347 CONECT 2350 2346 2351 2352 CONECT 2351 2350 CONECT 2352 2350 CONECT 2353 2345 CONECT 2354 2344 CONECT 2355 2344 CONECT 2356 2343 CONECT 2357 2343 CONECT 2358 2342 CONECT 2359 2342 CONECT 2360 2161 CONECT 2361 2160 CONECT 2362 2157 2363 2378 2379 CONECT 2363 2362 2364 2376 2377 CONECT 2364 2363 2365 2374 2375 CONECT 2365 2364 2366 2373 CONECT 2366 2365 2367 2370 CONECT 2367 2366 2368 2369 CONECT 2368 2367 CONECT 2369 2367 CONECT 2370 2366 2371 2372 CONECT 2371 2370 CONECT 2372 2370 CONECT 2373 2365 CONECT 2374 2364 CONECT 2375 2364 CONECT 2376 2363 CONECT 2377 2363 CONECT 2378 2362 CONECT 2379 2362 CONECT 2380 2157 CONECT 2381 2156 CONECT 2382 2153 2383 2385 2386 CONECT 2383 2382 2384 CONECT 2384 2383 CONECT 2385 2382 CONECT 2386 2382 CONECT 2387 2153 CONECT 2388 2152 CONECT 2389 2149 2390 2400 2401 CONECT 2390 2389 2391 2395 2399 CONECT 2391 2390 2392 2393 2394 CONECT 2392 2391 CONECT 2393 2391 CONECT 2394 2391 CONECT 2395 2390 2396 2397 2398 CONECT 2396 2395 CONECT 2397 2395 CONECT 2398 2395 CONECT 2399 2390 CONECT 2400 2389 CONECT 2401 2389 CONECT 2402 2149 CONECT 2403 2148 CONECT 2404 2145 2405 2410 2411 CONECT 2405 2404 2406 2407 CONECT 2406 2405 CONECT 2407 2405 2408 2409 CONECT 2408 2407 CONECT 2409 2407 CONECT 2410 2404 CONECT 2411 2404 CONECT 2412 2145 CONECT 2413 2144 CONECT 2414 2141 2415 2421 2422 CONECT 2415 2414 2416 2419 2420 CONECT 2416 2415 2417 2418 CONECT 2417 2416 CONECT 2418 2416 CONECT 2419 2415 CONECT 2420 2415 CONECT 2421 2414 CONECT 2422 2414 CONECT 2423 2141 CONECT 2424 2140 CONECT 2425 2137 2426 2434 2435 CONECT 2426 2425 2427 2432 2433 CONECT 2427 2426 2428 CONECT 2428 2427 2429 2430 2431 CONECT 2429 2428 CONECT 2430 2428 CONECT 2431 2428 CONECT 2432 2426 CONECT 2433 2426 CONECT 2434 2425 CONECT 2435 2425 CONECT 2436 2137 CONECT 2437 2136 CONECT 2438 2133 2439 2441 2445 CONECT 2439 2438 2440 CONECT 2440 2439 CONECT 2441 2438 2442 2443 2444 CONECT 2442 2441 CONECT 2443 2441 CONECT 2444 2441 CONECT 2445 2438 CONECT 2446 2133 CONECT 2447 2132 CONECT 2448 2132 CONECT 2449 2132 MASTER 0 0 0 0 0 0 0 0 2448 1 322 11 END
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Entry Information
PDB ID
3bl2
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
M11, the BCL-2 Homolog of Murine Gamma-herpesvirus 68
Ligand Name
19-mer
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Kd=1580nM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) Plos Pathog. Vol. 4: pp. e25-e25
Ligand Properties
Formula
C
9
6
H
1
6
7
N
2
7
O
3
0
S
2
Molecular Weight
2243.650
Exact Mass
2242.180
No. of atoms
322
No. of bonds
322
Polar Surface Area
1014.68
LOGP Value
-0.39 (
Computed with XLOGP3
)
-3.71 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 24
No. of Hydrogen Bond Acceptors: 30
No. of Rotatable Bonds: 95
No. of Nitrogen and Oxygen Atoms: 57
No. of Rings: 1
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCSC)[C@H](CC)C)CC(=O)O)Cc1ccccc1)CC(C)C)CC(=O)O)[C@H](O)C)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)[NH3+])CCSC)CCC(=O)O)CC(=O)N)CC(C)C)CO)CCC[NH+]=C(N)N)CCC[NH+]=C(N)N)CC(C)C
InChI String
InChI=1S/C96H163N27O30S2/c1-15-50(10)75(93(151)113-59(94(152)153)31-36-155-14)122-88(146)66(43-72(133)134)119-85(143)63(40-53-23-17-16-18-24-53)117-83(141)61(38-47(4)5)116-87(145)65(42-71(131)132)107-69(128)44-106-91(149)76(52(12)126)123-92(150)74(49(8)9)121-81(139)54(25-19-20-32-97)109-82(140)60(37-46(2)3)114-78(136)56(27-22-34-105-96(102)103)108-77(135)55(26-21-33-104-95(100)101)110-89(147)67(45-124)120-84(142)62(39-48(6)7)115-86(144)64(41-68(98)127)118-79(137)57(28-29-70(129)130)111-80(138)58(30-35-154-13)112-90(148)73(99)51(11)125/h16-18,23-24,46-52,54-67,73-76,124-126H,15,19-22,25-45,97,99H2,1-14H3,(H2,98,127)(H,106,149)(H,107,128)(H,108,135)(H,109,140)(H,110,147)(H,111,138)(H,112,148)(H,113,151)(H,114,136)(H,115,144)(H,116,145)(H,117,141)(H,118,137)(H,119,143)(H,120,142)(H,121,139)(H,122,146)(H,123,150)(H,129,130)(H,131,132)(H,133,134)(H,152,153)(H4,100,101,104)(H4,102,103,105)/p+4/t50-,51+,52+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-,76-/m0/s1
Links to External Databases
RCSB PDB
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UniProtKB AC
UniProt accession number (AC):
P89884
O88597
Entrez Gene ID
NCBI Entrez Gene ID:
1497180
56208
ASD
Information of known allosteric effects of PDB entries
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