Browse entries in the PDBbind-CN Database
HEADER 4J9A_COMPLEX COMPND 4J9A_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 122 ASN ALA LYS GLU ILE VAL VAL HIS ALA LEU ARG LEU LEU SEQRES 2 A 122 GLU ASN GLY ASP ALA ARG GLY TRP SER ASP LEU PHE HIS SEQRES 3 A 122 PRO GLU GLY VAL LEU GLU TYR PRO TYR PRO PRO PRO GLY SEQRES 4 A 122 TYR LYS THR ARG PHE GLU GLY ARG GLU THR ILE TRP ALA SEQRES 5 A 122 HIS MET ARG LEU PHE PRO GLU TYR MET THR ILE ARG PHE SEQRES 6 A 122 THR ASP VAL GLN PHE TYR GLU THR ALA ASP PRO ASP LEU SEQRES 7 A 122 ALA ILE GLY GLU PHE HIS GLY ASP GLY VAL LEU THR ALA SEQRES 8 A 122 SER GLY GLY LYS LEU ALA TYR ASP TYR ILE ALA VAL TRP SEQRES 9 A 122 ARG THR ARG ASP GLY GLN ILE LEU LEU TYR ARG LEU PHE SEQRES 10 A 122 PHE ASN PRO LEU ARG HET DOG A 123 62 ATOM 1 N ASN A 2 -7.547 20.869 12.814 1.00 71.49 N ATOM 2 CA ASN A 2 -7.128 20.439 11.451 1.00 71.63 C ATOM 3 C ASN A 2 -6.959 18.920 11.374 1.00 68.29 C ATOM 4 O ASN A 2 -7.008 18.205 12.390 1.00 61.32 O ATOM 5 CB ASN A 2 -5.858 21.187 11.008 1.00 73.95 C ATOM 6 CG ASN A 2 -4.577 20.507 11.438 1.00 79.01 C ATOM 7 OD1 ASN A 2 -4.539 19.761 12.400 1.00 80.32 O ATOM 8 ND2 ASN A 2 -3.502 20.803 10.730 1.00 91.03 N ATOM 9 HA ASN A 2 -7.921 20.703 10.752 1.00 0.00 H ATOM 10 HB2 ASN A 2 -5.862 21.260 9.920 1.00 0.00 H ATOM 11 HB3 ASN A 2 -5.879 22.188 11.438 1.00 0.00 H ATOM 12 HD22 ASN A 2 -3.577 21.445 9.915 1.00 0.00 H ATOM 13 HD21 ASN A 2 -2.581 20.394 10.988 1.00 0.00 H ATOM 14 HN3 ASN A 2 -6.825 20.581 13.504 1.00 0.00 H ATOM 15 HN2 ASN A 2 -8.455 20.422 13.053 1.00 0.00 H ATOM 16 HN1 ASN A 2 -7.653 21.903 12.833 1.00 0.00 H ATOM 17 N ALA A 3 -6.738 18.439 10.160 1.00 66.65 N ATOM 18 CA ALA A 3 -6.718 17.010 9.915 1.00 63.99 C ATOM 19 C ALA A 3 -5.558 16.342 10.654 1.00 64.60 C ATOM 20 O ALA A 3 -5.756 15.324 11.329 1.00 70.25 O ATOM 21 CB ALA A 3 -6.651 16.722 8.427 1.00 62.29 C ATOM 22 HA ALA A 3 -7.646 16.588 10.301 1.00 0.00 H ATOM 23 HB1 ALA A 3 -7.524 17.152 7.935 1.00 0.00 H ATOM 24 HB2 ALA A 3 -5.745 17.164 8.013 1.00 0.00 H ATOM 25 HB3 ALA A 3 -6.637 15.644 8.267 1.00 0.00 H ATOM 26 H ALA A 3 -6.576 19.096 9.370 1.00 0.00 H ATOM 27 N LYS A 4 -4.358 16.902 10.544 1.00 57.81 N ATOM 28 CA LYS A 4 -3.205 16.287 11.208 1.00 58.38 C ATOM 29 C LYS A 4 -3.465 16.198 12.717 1.00 49.29 C ATOM 30 O LYS A 4 -3.129 15.198 13.353 1.00 48.24 O ATOM 31 CB LYS A 4 -1.894 17.019 10.890 1.00 56.50 C ATOM 32 HA LYS A 4 -3.082 15.277 10.818 1.00 0.00 H ATOM 33 HB2 LYS A 4 -1.718 16.996 9.815 1.00 0.00 H ATOM 34 HB3 LYS A 4 -1.966 18.054 11.225 1.00 0.00 H ATOM 35 H LYS A 4 -4.237 17.773 9.989 1.00 0.00 H ATOM 36 N GLU A 5 -4.095 17.225 13.254 1.00 45.00 N ATOM 37 CA GLU A 5 -4.450 17.214 14.676 1.00 46.41 C ATOM 38 C GLU A 5 -5.372 16.044 14.949 1.00 45.88 C ATOM 39 O GLU A 5 -5.124 15.265 15.872 1.00 41.73 O ATOM 40 CB GLU A 5 -5.077 18.537 15.217 1.00 45.71 C ATOM 41 HA GLU A 5 -3.510 17.113 15.218 1.00 0.00 H ATOM 42 HB2 GLU A 5 -4.370 19.355 15.080 1.00 0.00 H ATOM 43 HB3 GLU A 5 -5.995 18.753 14.670 1.00 0.00 H ATOM 44 H GLU A 5 -4.341 18.046 12.666 1.00 0.00 H ATOM 45 N ILE A 6 -6.470 15.962 14.184 1.00 45.48 N ATOM 46 CA ILE A 6 -7.479 14.940 14.386 1.00 46.21 C ATOM 47 C ILE A 6 -6.860 13.522 14.264 1.00 52.86 C ATOM 48 O ILE A 6 -7.177 12.614 15.051 1.00 44.10 O ATOM 49 CB ILE A 6 -8.583 15.132 13.354 1.00 45.23 C ATOM 50 CG1 ILE A 6 -9.364 16.415 13.608 1.00 47.21 C ATOM 51 CG2 ILE A 6 -9.540 13.977 13.398 1.00 51.62 C ATOM 52 CD1 ILE A 6 -10.329 16.815 12.496 1.00 45.25 C ATOM 53 HA ILE A 6 -7.894 15.033 15.390 1.00 0.00 H ATOM 54 HB ILE A 6 -8.106 15.192 12.376 1.00 0.00 H ATOM 55 HG12 ILE A 6 -9.939 16.285 14.524 1.00 0.00 H ATOM 56 HG13 ILE A 6 -8.648 17.226 13.742 1.00 0.00 H ATOM 57 HD11 ILE A 6 -9.773 16.966 11.571 1.00 0.00 H ATOM 58 HD12 ILE A 6 -11.065 16.024 12.354 1.00 0.00 H ATOM 59 HD13 ILE A 6 -10.836 17.740 12.772 1.00 0.00 H ATOM 60 HG21 ILE A 6 -9.003 13.054 13.180 1.00 0.00 H ATOM 61 HG22 ILE A 6 -9.986 13.914 14.391 1.00 0.00 H ATOM 62 HG23 ILE A 6 -10.324 14.128 12.655 1.00 0.00 H ATOM 63 H ILE A 6 -6.603 16.655 13.420 1.00 0.00 H ATOM 64 N VAL A 7 -5.974 13.340 13.283 1.00 53.78 N ATOM 65 CA VAL A 7 -5.368 12.033 13.045 1.00 50.24 C ATOM 66 C VAL A 7 -4.588 11.578 14.264 1.00 52.04 C ATOM 67 O VAL A 7 -4.773 10.458 14.726 1.00 56.94 O ATOM 68 CB VAL A 7 -4.489 12.051 11.778 1.00 47.13 C ATOM 69 CG1 VAL A 7 -3.713 10.761 11.635 1.00 45.33 C ATOM 70 CG2 VAL A 7 -5.370 12.233 10.549 1.00 49.25 C ATOM 71 HA VAL A 7 -6.165 11.310 12.872 1.00 0.00 H ATOM 72 HB VAL A 7 -3.784 12.878 11.867 1.00 0.00 H ATOM 73 HG11 VAL A 7 -3.069 10.627 12.505 1.00 0.00 H ATOM 74 HG12 VAL A 7 -4.409 9.925 11.565 1.00 0.00 H ATOM 75 HG13 VAL A 7 -3.103 10.804 10.733 1.00 0.00 H ATOM 76 HG21 VAL A 7 -6.080 11.408 10.487 1.00 0.00 H ATOM 77 HG22 VAL A 7 -5.912 13.175 10.628 1.00 0.00 H ATOM 78 HG23 VAL A 7 -4.746 12.245 9.655 1.00 0.00 H ATOM 79 H VAL A 7 -5.710 14.143 12.677 1.00 0.00 H ATOM 80 N VAL A 8 -3.711 12.444 14.786 1.00 59.22 N ATOM 81 CA VAL A 8 -2.859 12.053 15.944 1.00 51.71 C ATOM 82 C VAL A 8 -3.776 11.736 17.088 1.00 50.38 C ATOM 83 O VAL A 8 -3.542 10.796 17.823 1.00 41.58 O ATOM 84 CB VAL A 8 -1.847 13.132 16.418 1.00 43.93 C ATOM 85 HA VAL A 8 -2.256 11.207 15.614 1.00 0.00 H ATOM 86 HB VAL A 8 -1.167 13.375 15.601 1.00 0.00 H ATOM 87 H VAL A 8 -3.624 13.397 14.380 1.00 0.00 H ATOM 88 N HIS A 9 -4.817 12.556 17.251 1.00 53.05 N ATOM 89 CA HIS A 9 -5.757 12.333 18.332 1.00 52.73 C ATOM 90 C HIS A 9 -6.220 10.898 18.223 1.00 50.58 C ATOM 91 O HIS A 9 -6.080 10.121 19.163 1.00 46.50 O ATOM 92 CB HIS A 9 -6.935 13.306 18.249 1.00 55.38 C ATOM 93 CG HIS A 9 -7.971 13.100 19.310 1.00 56.26 C ATOM 94 ND1 HIS A 9 -7.675 12.577 20.549 1.00 58.80 N ATOM 95 CD2 HIS A 9 -9.294 13.384 19.330 1.00 58.04 C ATOM 96 CE1 HIS A 9 -8.768 12.543 21.287 1.00 59.67 C ATOM 97 NE2 HIS A 9 -9.764 13.031 20.571 1.00 63.96 N ATOM 98 HA HIS A 9 -5.283 12.510 19.298 1.00 0.00 H ATOM 99 HB2 HIS A 9 -6.548 14.321 18.339 1.00 0.00 H ATOM 100 HB3 HIS A 9 -7.412 13.185 17.276 1.00 0.00 H ATOM 101 HD2 HIS A 9 -9.877 13.812 18.515 1.00 0.00 H ATOM 102 HE1 HIS A 9 -8.837 12.176 22.311 1.00 0.00 H ATOM 103 H HIS A 9 -4.954 13.356 16.601 1.00 0.00 H ATOM 104 N ALA A 10 -6.751 10.560 17.046 1.00 52.82 N ATOM 105 CA ALA A 10 -7.363 9.245 16.802 1.00 52.63 C ATOM 106 C ALA A 10 -6.410 8.109 17.123 1.00 51.86 C ATOM 107 O ALA A 10 -6.715 7.228 17.929 1.00 44.73 O ATOM 108 CB ALA A 10 -7.823 9.148 15.356 1.00 53.33 C ATOM 109 HA ALA A 10 -8.222 9.151 17.466 1.00 0.00 H ATOM 110 HB1 ALA A 10 -8.557 9.929 15.156 1.00 0.00 H ATOM 111 HB2 ALA A 10 -6.966 9.275 14.694 1.00 0.00 H ATOM 112 HB3 ALA A 10 -8.275 8.171 15.185 1.00 0.00 H ATOM 113 H ALA A 10 -6.731 11.253 16.271 1.00 0.00 H ATOM 114 N LEU A 11 -5.226 8.165 16.521 1.00 53.25 N ATOM 115 CA LEU A 11 -4.225 7.148 16.744 1.00 53.01 C ATOM 116 C LEU A 11 -4.000 6.953 18.261 1.00 56.05 C ATOM 117 O LEU A 11 -3.901 5.818 18.745 1.00 57.89 O ATOM 118 CB LEU A 11 -2.943 7.524 15.996 1.00 54.14 C ATOM 119 CG LEU A 11 -3.125 7.432 14.495 1.00 57.18 C ATOM 120 CD1 LEU A 11 -1.841 7.857 13.809 1.00 59.87 C ATOM 121 CD2 LEU A 11 -3.558 6.040 14.054 1.00 59.17 C ATOM 122 HA LEU A 11 -4.562 6.189 16.350 1.00 0.00 H ATOM 123 HB2 LEU A 11 -2.668 8.546 16.257 1.00 0.00 H ATOM 124 HB3 LEU A 11 -2.145 6.846 16.298 1.00 0.00 H ATOM 125 HG LEU A 11 -3.929 8.107 14.202 1.00 0.00 H ATOM 126 HD21 LEU A 11 -2.800 5.314 14.350 1.00 0.00 H ATOM 127 HD22 LEU A 11 -4.507 5.789 14.527 1.00 0.00 H ATOM 128 HD23 LEU A 11 -3.675 6.024 12.970 1.00 0.00 H ATOM 129 HD11 LEU A 11 -1.605 8.884 14.087 1.00 0.00 H ATOM 130 HD12 LEU A 11 -1.029 7.199 14.120 1.00 0.00 H ATOM 131 HD13 LEU A 11 -1.969 7.792 12.729 1.00 0.00 H ATOM 132 H LEU A 11 -5.017 8.955 15.878 1.00 0.00 H ATOM 133 N ARG A 12 -3.955 8.063 19.000 1.00 55.16 N ATOM 134 CA ARG A 12 -3.805 8.023 20.454 1.00 52.52 C ATOM 135 C ARG A 12 -4.948 7.228 21.067 1.00 52.29 C ATOM 136 O ARG A 12 -4.727 6.271 21.794 1.00 50.10 O ATOM 137 CB ARG A 12 -3.756 9.438 21.039 1.00 52.17 C ATOM 138 HA ARG A 12 -2.862 7.532 20.694 1.00 0.00 H ATOM 139 HB2 ARG A 12 -2.909 9.976 20.614 1.00 0.00 H ATOM 140 HB3 ARG A 12 -4.680 9.962 20.796 1.00 0.00 H ATOM 141 H ARG A 12 -4.029 8.986 18.527 1.00 0.00 H ATOM 142 N LEU A 13 -6.176 7.610 20.731 1.00 54.88 N ATOM 143 CA LEU A 13 -7.351 6.927 21.222 1.00 59.20 C ATOM 144 C LEU A 13 -7.223 5.407 21.012 1.00 63.79 C ATOM 145 O LEU A 13 -7.541 4.615 21.911 1.00 62.44 O ATOM 146 CB LEU A 13 -8.623 7.489 20.522 1.00 64.97 C ATOM 147 CG LEU A 13 -9.103 8.763 21.170 1.00 66.28 C ATOM 148 CD1 LEU A 13 -10.200 9.358 20.307 1.00 66.95 C ATOM 149 CD2 LEU A 13 -9.586 8.445 22.571 1.00 74.55 C ATOM 150 HA LEU A 13 -7.443 7.105 22.294 1.00 0.00 H ATOM 151 HB2 LEU A 13 -8.390 7.691 19.476 1.00 0.00 H ATOM 152 HB3 LEU A 13 -9.416 6.743 20.579 1.00 0.00 H ATOM 153 HG LEU A 13 -8.302 9.497 21.252 1.00 0.00 H ATOM 154 HD21 LEU A 13 -10.403 7.726 22.518 1.00 0.00 H ATOM 155 HD22 LEU A 13 -8.765 8.022 23.150 1.00 0.00 H ATOM 156 HD23 LEU A 13 -9.936 9.360 23.050 1.00 0.00 H ATOM 157 HD11 LEU A 13 -9.804 9.571 19.314 1.00 0.00 H ATOM 158 HD12 LEU A 13 -11.023 8.648 20.227 1.00 0.00 H ATOM 159 HD13 LEU A 13 -10.558 10.281 20.762 1.00 0.00 H ATOM 160 H LEU A 13 -6.295 8.425 20.096 1.00 0.00 H ATOM 161 N LEU A 14 -6.743 5.017 19.830 1.00 62.31 N ATOM 162 CA LEU A 14 -6.584 3.611 19.504 1.00 61.80 C ATOM 163 C LEU A 14 -5.496 3.014 20.370 1.00 57.16 C ATOM 164 O LEU A 14 -5.610 1.860 20.777 1.00 64.32 O ATOM 165 CB LEU A 14 -6.245 3.384 17.999 1.00 63.25 C ATOM 166 CG LEU A 14 -7.219 2.929 16.902 1.00 64.29 C ATOM 167 CD1 LEU A 14 -6.413 2.341 15.742 1.00 65.40 C ATOM 168 CD2 LEU A 14 -8.230 1.908 17.370 1.00 65.11 C ATOM 169 HA LEU A 14 -7.536 3.118 19.698 1.00 0.00 H ATOM 170 HB2 LEU A 14 -5.851 4.338 17.650 1.00 0.00 H ATOM 171 HB3 LEU A 14 -5.448 2.640 17.997 1.00 0.00 H ATOM 172 HG LEU A 14 -7.785 3.809 16.596 1.00 0.00 H ATOM 173 HD21 LEU A 14 -7.709 1.021 17.729 1.00 0.00 H ATOM 174 HD22 LEU A 14 -8.826 2.333 18.178 1.00 0.00 H ATOM 175 HD23 LEU A 14 -8.882 1.637 16.539 1.00 0.00 H ATOM 176 HD11 LEU A 14 -5.739 3.101 15.347 1.00 0.00 H ATOM 177 HD12 LEU A 14 -5.833 1.490 16.099 1.00 0.00 H ATOM 178 HD13 LEU A 14 -7.094 2.014 14.957 1.00 0.00 H ATOM 179 H LEU A 14 -6.477 5.736 19.127 1.00 0.00 H ATOM 180 N GLU A 15 -4.424 3.773 20.621 1.00 56.70 N ATOM 181 CA GLU A 15 -3.314 3.288 21.479 1.00 53.07 C ATOM 182 C GLU A 15 -3.843 3.026 22.861 1.00 51.18 C ATOM 183 O GLU A 15 -3.548 1.989 23.448 1.00 61.51 O ATOM 184 CB GLU A 15 -2.135 4.249 21.526 1.00 54.44 C ATOM 185 CG GLU A 15 -1.161 4.065 20.372 1.00 61.09 C ATOM 186 CD GLU A 15 -0.066 5.134 20.298 1.00 66.37 C ATOM 187 OE1 GLU A 15 -0.386 6.337 20.406 1.00 74.29 O ATOM 188 OE2 GLU A 15 1.116 4.784 20.072 1.00 66.48 O ATOM 189 HA GLU A 15 -2.932 2.366 21.041 1.00 0.00 H ATOM 190 HB2 GLU A 15 -2.518 5.269 21.496 1.00 0.00 H ATOM 191 HB3 GLU A 15 -1.597 4.092 22.461 1.00 0.00 H ATOM 192 HG2 GLU A 15 -0.682 3.092 20.480 1.00 0.00 H ATOM 193 HG3 GLU A 15 -1.726 4.089 19.440 1.00 0.00 H ATOM 194 H GLU A 15 -4.367 4.725 20.206 1.00 0.00 H ATOM 195 N ASN A 16 -4.703 3.915 23.335 1.00 51.05 N ATOM 196 CA ASN A 16 -5.424 3.710 24.604 1.00 54.42 C ATOM 197 C ASN A 16 -6.501 2.624 24.594 1.00 52.50 C ATOM 198 O ASN A 16 -7.165 2.414 25.601 1.00 50.22 O ATOM 199 CB ASN A 16 -6.122 5.012 25.057 1.00 62.18 C ATOM 200 CG ASN A 16 -5.243 5.890 25.896 1.00 65.21 C ATOM 201 OD1 ASN A 16 -4.178 5.458 26.346 1.00 76.29 O ATOM 202 ND2 ASN A 16 -5.671 7.144 26.098 1.00 58.65 N ATOM 203 HA ASN A 16 -4.635 3.388 25.284 1.00 0.00 H ATOM 204 HB2 ASN A 16 -6.425 5.570 24.171 1.00 0.00 H ATOM 205 HB3 ASN A 16 -7.005 4.748 25.639 1.00 0.00 H ATOM 206 HD22 ASN A 16 -6.578 7.455 25.695 1.00 0.00 H ATOM 207 HD21 ASN A 16 -5.096 7.806 26.658 1.00 0.00 H ATOM 208 H ASN A 16 -4.875 4.786 22.794 1.00 0.00 H ATOM 209 N GLY A 17 -6.766 2.019 23.443 1.00 57.16 N ATOM 210 CA GLY A 17 -7.807 0.998 23.340 1.00 58.48 C ATOM 211 C GLY A 17 -9.243 1.508 23.303 1.00 56.64 C ATOM 212 O GLY A 17 -10.186 0.708 23.281 1.00 53.04 O ATOM 213 HA3 GLY A 17 -7.710 0.335 24.200 1.00 0.00 H ATOM 214 HA2 GLY A 17 -7.630 0.432 22.425 1.00 0.00 H ATOM 215 H GLY A 17 -6.221 2.277 22.596 1.00 0.00 H ATOM 216 N ASP A 18 -9.414 2.824 23.199 1.00 58.36 N ATOM 217 CA ASP A 18 -10.743 3.429 23.109 1.00 64.36 C ATOM 218 C ASP A 18 -11.290 3.383 21.683 1.00 62.50 C ATOM 219 O ASP A 18 -11.213 4.360 20.944 1.00 59.75 O ATOM 220 CB ASP A 18 -10.705 4.879 23.615 1.00 60.87 C ATOM 221 CG ASP A 18 -12.065 5.546 23.568 1.00 66.01 C ATOM 222 OD1 ASP A 18 -13.050 4.883 23.145 1.00 71.58 O ATOM 223 OD2 ASP A 18 -12.184 6.713 23.997 1.00 73.99 O ATOM 224 HA ASP A 18 -11.413 2.846 23.741 1.00 0.00 H ATOM 225 HB2 ASP A 18 -10.350 4.881 24.646 1.00 0.00 H ATOM 226 HB3 ASP A 18 -10.014 5.449 22.993 1.00 0.00 H ATOM 227 H ASP A 18 -8.577 3.441 23.181 1.00 0.00 H ATOM 228 N ALA A 19 -11.847 2.237 21.313 1.00 64.01 N ATOM 229 CA ALA A 19 -12.360 2.042 19.963 1.00 67.32 C ATOM 230 C ALA A 19 -13.633 2.840 19.718 1.00 65.04 C ATOM 231 O ALA A 19 -13.771 3.411 18.631 1.00 67.92 O ATOM 232 CB ALA A 19 -12.605 0.566 19.686 1.00 73.40 C ATOM 233 HA ALA A 19 -11.599 2.410 19.275 1.00 0.00 H ATOM 234 HB1 ALA A 19 -11.668 0.018 19.789 1.00 0.00 H ATOM 235 HB2 ALA A 19 -13.334 0.180 20.399 1.00 0.00 H ATOM 236 HB3 ALA A 19 -12.988 0.446 18.672 1.00 0.00 H ATOM 237 H ALA A 19 -11.919 1.461 22.002 1.00 0.00 H ATOM 238 N ARG A 20 -14.554 2.875 20.693 1.00 54.96 N ATOM 239 CA ARG A 20 -15.752 3.730 20.559 1.00 55.14 C ATOM 240 C ARG A 20 -15.361 5.218 20.330 1.00 53.75 C ATOM 241 O ARG A 20 -16.000 5.923 19.568 1.00 50.65 O ATOM 242 CB ARG A 20 -16.718 3.664 21.763 1.00 55.46 C ATOM 243 CG ARG A 20 -17.904 2.777 21.574 1.00 56.88 C ATOM 244 CD ARG A 20 -19.077 3.290 22.358 1.00 58.91 C ATOM 245 NE ARG A 20 -20.145 2.311 22.540 1.00 60.24 N ATOM 246 HA ARG A 20 -16.276 3.328 19.692 1.00 0.00 H ATOM 247 HB2 ARG A 20 -16.159 3.302 22.626 1.00 0.00 H ATOM 248 HB3 ARG A 20 -17.079 4.673 21.963 1.00 0.00 H ATOM 249 HG2 ARG A 20 -18.165 2.748 20.516 1.00 0.00 H ATOM 250 HG3 ARG A 20 -17.657 1.771 21.914 1.00 0.00 H ATOM 251 HD2 ARG A 20 -19.488 4.153 21.834 1.00 0.00 H ATOM 252 HD3 ARG A 20 -18.723 3.598 23.342 1.00 0.00 H ATOM 253 HE ARG A 20 -20.049 1.356 22.140 1.00 0.00 H ATOM 254 H ARG A 20 -14.424 2.297 21.548 1.00 0.00 H ATOM 255 N GLY A 21 -14.313 5.670 21.009 1.00 51.99 N ATOM 256 CA GLY A 21 -13.853 7.025 20.884 1.00 51.09 C ATOM 257 C GLY A 21 -13.404 7.249 19.477 1.00 50.90 C ATOM 258 O GLY A 21 -13.794 8.226 18.833 1.00 61.12 O ATOM 259 HA3 GLY A 21 -13.020 7.195 21.567 1.00 0.00 H ATOM 260 HA2 GLY A 21 -14.664 7.712 21.124 1.00 0.00 H ATOM 261 H GLY A 21 -13.810 5.024 21.650 1.00 0.00 H ATOM 262 N TRP A 22 -12.530 6.368 19.024 1.00 52.47 N ATOM 263 CA TRP A 22 -11.992 6.412 17.663 1.00 53.60 C ATOM 264 C TRP A 22 -13.140 6.404 16.682 1.00 50.13 C ATOM 265 O TRP A 22 -13.236 7.270 15.818 1.00 47.20 O ATOM 266 CB TRP A 22 -11.104 5.181 17.466 1.00 56.34 C ATOM 267 CG TRP A 22 -10.377 5.092 16.185 1.00 56.45 C ATOM 268 CD1 TRP A 22 -9.167 5.632 15.902 1.00 58.02 C ATOM 269 CD2 TRP A 22 -10.778 4.360 15.024 1.00 56.44 C ATOM 270 NE1 TRP A 22 -8.798 5.312 14.623 1.00 56.40 N ATOM 271 CE2 TRP A 22 -9.774 4.528 14.062 1.00 57.02 C ATOM 272 CE3 TRP A 22 -11.902 3.592 14.700 1.00 53.16 C ATOM 273 CZ2 TRP A 22 -9.860 3.961 12.795 1.00 56.70 C ATOM 274 CZ3 TRP A 22 -11.980 3.034 13.458 1.00 50.91 C ATOM 275 CH2 TRP A 22 -10.964 3.209 12.519 1.00 54.60 C ATOM 276 HA TRP A 22 -11.403 7.315 17.500 1.00 0.00 H ATOM 277 HB2 TRP A 22 -10.365 5.173 18.268 1.00 0.00 H ATOM 278 HB3 TRP A 22 -11.738 4.298 17.549 1.00 0.00 H ATOM 279 HE1 TRP A 22 -7.921 5.614 14.153 1.00 0.00 H ATOM 280 HD1 TRP A 22 -8.574 6.233 16.592 1.00 0.00 H ATOM 281 HZ2 TRP A 22 -9.077 4.112 12.052 1.00 0.00 H ATOM 282 HH2 TRP A 22 -11.054 2.734 11.542 1.00 0.00 H ATOM 283 HZ3 TRP A 22 -12.854 2.439 13.194 1.00 0.00 H ATOM 284 HE3 TRP A 22 -12.700 3.443 15.427 1.00 0.00 H ATOM 285 H TRP A 22 -12.210 5.611 19.661 1.00 0.00 H ATOM 286 N SER A 23 -14.041 5.443 16.849 1.00 50.88 N ATOM 287 CA SER A 23 -15.256 5.375 16.024 1.00 53.41 C ATOM 288 C SER A 23 -15.941 6.721 16.062 1.00 52.59 C ATOM 289 O SER A 23 -16.151 7.334 15.024 1.00 51.87 O ATOM 290 CB SER A 23 -16.211 4.303 16.509 1.00 55.65 C ATOM 291 OG SER A 23 -15.523 3.137 16.901 1.00 63.83 O ATOM 292 HA SER A 23 -14.967 5.117 15.005 1.00 0.00 H ATOM 293 HB2 SER A 23 -16.902 4.053 15.704 1.00 0.00 H ATOM 294 HB3 SER A 23 -16.772 4.687 17.361 1.00 0.00 H ATOM 295 HG SER A 23 -14.897 3.356 17.636 1.00 0.00 H ATOM 296 H SER A 23 -13.883 4.721 17.581 1.00 0.00 H ATOM 297 N ASP A 24 -16.221 7.201 17.269 1.00 49.83 N ATOM 298 CA ASP A 24 -16.933 8.454 17.448 1.00 49.47 C ATOM 299 C ASP A 24 -16.321 9.641 16.698 1.00 49.45 C ATOM 300 O ASP A 24 -17.038 10.597 16.376 1.00 53.39 O ATOM 301 CB ASP A 24 -17.087 8.777 18.929 1.00 52.11 C ATOM 302 HA ASP A 24 -17.915 8.299 17.001 1.00 0.00 H ATOM 303 HB2 ASP A 24 -17.647 7.979 19.417 1.00 0.00 H ATOM 304 HB3 ASP A 24 -16.101 8.862 19.385 1.00 0.00 H ATOM 305 H ASP A 24 -15.922 6.665 18.108 1.00 0.00 H ATOM 306 N LEU A 25 -15.014 9.599 16.433 1.00 49.58 N ATOM 307 CA LEU A 25 -14.346 10.690 15.713 1.00 50.91 C ATOM 308 C LEU A 25 -14.765 10.718 14.234 1.00 52.07 C ATOM 309 O LEU A 25 -14.355 11.619 13.496 1.00 59.95 O ATOM 310 CB LEU A 25 -12.784 10.628 15.865 1.00 49.47 C ATOM 311 CG LEU A 25 -11.966 11.300 16.976 1.00 43.66 C ATOM 312 HA LEU A 25 -14.672 11.624 16.171 1.00 0.00 H ATOM 313 HB2 LEU A 25 -12.543 9.567 15.932 1.00 0.00 H ATOM 314 HB3 LEU A 25 -12.388 11.031 14.933 1.00 0.00 H ATOM 315 HG LEU A 25 -12.128 12.377 16.944 1.00 0.00 H ATOM 316 H LEU A 25 -14.457 8.777 16.743 1.00 0.00 H ATOM 317 N PHE A 26 -15.550 9.742 13.783 1.00 53.59 N ATOM 318 CA PHE A 26 -15.939 9.681 12.357 1.00 61.38 C ATOM 319 C PHE A 26 -17.234 10.429 12.135 1.00 68.82 C ATOM 320 O PHE A 26 -18.161 10.323 12.952 1.00 84.91 O ATOM 321 CB PHE A 26 -16.165 8.236 11.867 1.00 58.44 C ATOM 322 CG PHE A 26 -14.934 7.547 11.358 1.00 52.69 C ATOM 323 CD1 PHE A 26 -14.106 6.873 12.220 1.00 52.20 C ATOM 324 CD2 PHE A 26 -14.630 7.537 10.017 1.00 54.87 C ATOM 325 CE1 PHE A 26 -12.963 6.232 11.765 1.00 50.85 C ATOM 326 CE2 PHE A 26 -13.493 6.881 9.548 1.00 53.49 C ATOM 327 CZ PHE A 26 -12.657 6.233 10.425 1.00 49.11 C ATOM 328 HA PHE A 26 -15.115 10.127 11.801 1.00 0.00 H ATOM 329 HB2 PHE A 26 -16.561 7.653 12.699 1.00 0.00 H ATOM 330 HB3 PHE A 26 -16.898 8.261 11.061 1.00 0.00 H ATOM 331 HD2 PHE A 26 -15.286 8.048 9.312 1.00 0.00 H ATOM 332 HE2 PHE A 26 -13.266 6.882 8.482 1.00 0.00 H ATOM 333 HZ PHE A 26 -11.763 5.726 10.063 1.00 0.00 H ATOM 334 HE1 PHE A 26 -12.306 5.726 12.472 1.00 0.00 H ATOM 335 HD1 PHE A 26 -14.351 6.841 13.282 1.00 0.00 H ATOM 336 H PHE A 26 -15.894 9.014 14.441 1.00 0.00 H ATOM 337 N HIS A 27 -17.327 11.153 11.021 1.00 63.16 N ATOM 338 CA HIS A 27 -18.611 11.705 10.574 1.00 58.87 C ATOM 339 C HIS A 27 -19.604 10.545 10.395 1.00 56.85 C ATOM 340 O HIS A 27 -19.170 9.409 10.159 1.00 64.26 O ATOM 341 CB HIS A 27 -18.393 12.520 9.306 1.00 60.57 C ATOM 342 CG HIS A 27 -19.644 13.015 8.663 1.00 64.42 C ATOM 343 ND1 HIS A 27 -20.521 12.158 8.043 1.00 68.31 N ATOM 344 CD2 HIS A 27 -20.151 14.263 8.498 1.00 64.10 C ATOM 345 CE1 HIS A 27 -21.529 12.845 7.540 1.00 68.70 C ATOM 346 NE2 HIS A 27 -21.335 14.125 7.812 1.00 68.57 N ATOM 347 HA HIS A 27 -19.037 12.386 11.311 1.00 0.00 H ATOM 348 HB2 HIS A 27 -17.776 13.382 9.558 1.00 0.00 H ATOM 349 HB3 HIS A 27 -17.865 11.895 8.586 1.00 0.00 H ATOM 350 HD2 HIS A 27 -19.705 15.196 8.843 1.00 0.00 H ATOM 351 HE1 HIS A 27 -22.376 12.429 6.994 1.00 0.00 H ATOM 352 H HIS A 27 -16.472 11.331 10.456 1.00 0.00 H ATOM 353 N PRO A 28 -20.913 10.794 10.614 1.00 50.12 N ATOM 354 CA PRO A 28 -21.855 9.678 10.704 1.00 50.21 C ATOM 355 C PRO A 28 -21.841 8.809 9.459 1.00 51.60 C ATOM 356 O PRO A 28 -21.673 7.588 9.541 1.00 55.43 O ATOM 357 CB PRO A 28 -23.191 10.369 10.833 1.00 53.02 C ATOM 358 CG PRO A 28 -22.904 11.728 11.371 1.00 55.16 C ATOM 359 CD PRO A 28 -21.446 12.004 11.260 1.00 55.03 C ATOM 360 HA PRO A 28 -21.615 9.007 11.528 1.00 0.00 H ATOM 361 HD3 PRO A 28 -21.262 12.886 10.647 1.00 0.00 H ATOM 362 HD2 PRO A 28 -21.001 12.148 12.244 1.00 0.00 H ATOM 363 HG3 PRO A 28 -23.205 11.777 12.417 1.00 0.00 H ATOM 364 HG2 PRO A 28 -23.460 12.471 10.799 1.00 0.00 H ATOM 365 HB2 PRO A 28 -23.675 10.442 9.859 1.00 0.00 H ATOM 366 HB3 PRO A 28 -23.837 9.819 11.518 1.00 0.00 H ATOM 367 N GLU A 29 -21.956 9.470 8.317 1.00 50.17 N ATOM 368 CA GLU A 29 -21.744 8.884 7.004 1.00 47.13 C ATOM 369 C GLU A 29 -20.242 8.784 6.590 1.00 51.84 C ATOM 370 O GLU A 29 -19.921 8.900 5.419 1.00 63.10 O ATOM 371 CB GLU A 29 -22.552 9.738 5.988 1.00 40.55 C ATOM 372 HA GLU A 29 -22.089 7.850 7.022 1.00 0.00 H ATOM 373 HB2 GLU A 29 -23.609 9.714 6.255 1.00 0.00 H ATOM 374 HB3 GLU A 29 -22.193 10.767 6.013 1.00 0.00 H ATOM 375 H GLU A 29 -22.215 10.476 8.363 1.00 0.00 H ATOM 376 N GLY A 30 -19.321 8.624 7.542 1.00 52.75 N ATOM 377 CA GLY A 30 -17.882 8.596 7.242 1.00 49.37 C ATOM 378 C GLY A 30 -17.432 7.206 6.858 1.00 49.15 C ATOM 379 O GLY A 30 -18.119 6.230 7.145 1.00 49.00 O ATOM 380 HA3 GLY A 30 -17.328 8.919 8.124 1.00 0.00 H ATOM 381 HA2 GLY A 30 -17.677 9.277 6.416 1.00 0.00 H ATOM 382 H GLY A 30 -19.631 8.516 8.529 1.00 0.00 H ATOM 383 N VAL A 31 -16.265 7.112 6.224 1.00 50.96 N ATOM 384 CA VAL A 31 -15.798 5.846 5.639 1.00 51.62 C ATOM 385 C VAL A 31 -14.377 5.432 6.015 1.00 50.37 C ATOM 386 O VAL A 31 -13.459 6.251 5.991 1.00 44.74 O ATOM 387 CB VAL A 31 -15.835 5.900 4.113 1.00 49.46 C ATOM 388 CG1 VAL A 31 -15.335 4.600 3.529 1.00 49.41 C ATOM 389 CG2 VAL A 31 -17.245 6.157 3.664 1.00 53.58 C ATOM 390 HA VAL A 31 -16.489 5.113 6.056 1.00 0.00 H ATOM 391 HB VAL A 31 -15.187 6.705 3.765 1.00 0.00 H ATOM 392 HG11 VAL A 31 -14.309 4.428 3.854 1.00 0.00 H ATOM 393 HG12 VAL A 31 -15.968 3.782 3.872 1.00 0.00 H ATOM 394 HG13 VAL A 31 -15.368 4.655 2.441 1.00 0.00 H ATOM 395 HG21 VAL A 31 -17.890 5.353 4.019 1.00 0.00 H ATOM 396 HG22 VAL A 31 -17.588 7.107 4.073 1.00 0.00 H ATOM 397 HG23 VAL A 31 -17.277 6.196 2.575 1.00 0.00 H ATOM 398 H VAL A 31 -15.666 7.958 6.140 1.00 0.00 H ATOM 399 N LEU A 32 -14.236 4.139 6.326 1.00 50.02 N ATOM 400 CA LEU A 32 -12.952 3.487 6.544 1.00 47.74 C ATOM 401 C LEU A 32 -12.686 2.542 5.390 1.00 45.42 C ATOM 402 O LEU A 32 -13.585 1.816 4.993 1.00 44.23 O ATOM 403 CB LEU A 32 -12.988 2.718 7.857 1.00 48.63 C ATOM 404 CG LEU A 32 -11.834 1.757 8.100 1.00 52.08 C ATOM 405 CD1 LEU A 32 -10.551 2.535 8.342 1.00 55.21 C ATOM 406 CD2 LEU A 32 -12.158 0.854 9.284 1.00 50.27 C ATOM 407 HA LEU A 32 -12.156 4.230 6.597 1.00 0.00 H ATOM 408 HB2 LEU A 32 -12.993 3.445 8.669 1.00 0.00 H ATOM 409 HB3 LEU A 32 -13.913 2.142 7.881 1.00 0.00 H ATOM 410 HG LEU A 32 -11.690 1.132 7.219 1.00 0.00 H ATOM 411 HD21 LEU A 32 -12.314 1.465 10.173 1.00 0.00 H ATOM 412 HD22 LEU A 32 -13.063 0.286 9.069 1.00 0.00 H ATOM 413 HD23 LEU A 32 -11.328 0.168 9.454 1.00 0.00 H ATOM 414 HD11 LEU A 32 -10.329 3.149 7.469 1.00 0.00 H ATOM 415 HD12 LEU A 32 -10.675 3.175 9.215 1.00 0.00 H ATOM 416 HD13 LEU A 32 -9.732 1.837 8.515 1.00 0.00 H ATOM 417 H LEU A 32 -15.097 3.563 6.418 1.00 0.00 H ATOM 418 N GLU A 33 -11.457 2.530 4.880 1.00 45.27 N ATOM 419 CA GLU A 33 -11.110 1.676 3.731 1.00 49.08 C ATOM 420 C GLU A 33 -9.764 1.003 3.917 1.00 47.97 C ATOM 421 O GLU A 33 -8.802 1.654 4.333 1.00 46.11 O ATOM 422 CB GLU A 33 -11.042 2.378 2.372 1.00 53.56 C ATOM 423 CG GLU A 33 -11.847 3.650 2.266 1.00 58.19 C ATOM 424 CD GLU A 33 -12.010 4.142 0.798 1.00 59.57 C ATOM 425 OE1 GLU A 33 -11.058 4.702 0.227 1.00 53.77 O ATOM 426 OE2 GLU A 33 -13.097 3.967 0.185 1.00 61.23 O ATOM 427 HA GLU A 33 -11.939 0.969 3.713 1.00 0.00 H ATOM 428 HB2 GLU A 33 -9.999 2.621 2.169 1.00 0.00 H ATOM 429 HB3 GLU A 33 -11.406 1.684 1.615 1.00 0.00 H ATOM 430 HG2 GLU A 33 -12.837 3.472 2.685 1.00 0.00 H ATOM 431 HG3 GLU A 33 -11.345 4.429 2.841 1.00 0.00 H ATOM 432 H GLU A 33 -10.725 3.137 5.302 1.00 0.00 H ATOM 433 N TYR A 34 -9.718 -0.282 3.555 1.00 43.05 N ATOM 434 CA TYR A 34 -8.486 -1.009 3.404 1.00 38.28 C ATOM 435 C TYR A 34 -8.246 -1.303 1.925 1.00 36.51 C ATOM 436 O TYR A 34 -8.594 -2.362 1.431 1.00 31.40 O ATOM 437 CB TYR A 34 -8.518 -2.320 4.178 1.00 36.94 C ATOM 438 CG TYR A 34 -8.740 -2.227 5.663 1.00 36.83 C ATOM 439 CD1 TYR A 34 -8.296 -1.143 6.412 1.00 39.81 C ATOM 440 CD2 TYR A 34 -9.380 -3.258 6.335 1.00 38.05 C ATOM 441 CE1 TYR A 34 -8.528 -1.074 7.790 1.00 40.93 C ATOM 442 CE2 TYR A 34 -9.603 -3.209 7.704 1.00 40.75 C ATOM 443 CZ TYR A 34 -9.178 -2.118 8.431 1.00 40.66 C ATOM 444 OH TYR A 34 -9.410 -2.103 9.781 1.00 37.98 O ATOM 445 HA TYR A 34 -7.679 -0.395 3.802 1.00 0.00 H ATOM 446 HB3 TYR A 34 -7.563 -2.821 4.018 1.00 0.00 H ATOM 447 HB2 TYR A 34 -9.321 -2.929 3.762 1.00 0.00 H ATOM 448 HD2 TYR A 34 -9.717 -4.129 5.773 1.00 0.00 H ATOM 449 HE2 TYR A 34 -10.114 -4.032 8.204 1.00 0.00 H ATOM 450 HE1 TYR A 34 -8.199 -0.203 8.357 1.00 0.00 H ATOM 451 HD1 TYR A 34 -7.758 -0.334 5.918 1.00 0.00 H ATOM 452 HH TYR A 34 -10.384 -2.155 9.948 1.00 0.00 H ATOM 453 H TYR A 34 -10.613 -0.779 3.374 1.00 0.00 H ATOM 454 N PRO A 35 -7.633 -0.355 1.202 1.00 38.40 N ATOM 455 CA PRO A 35 -7.418 -0.533 -0.234 1.00 40.87 C ATOM 456 C PRO A 35 -6.820 -1.876 -0.576 1.00 43.18 C ATOM 457 O PRO A 35 -7.194 -2.460 -1.574 1.00 46.22 O ATOM 458 CB PRO A 35 -6.445 0.589 -0.586 1.00 38.80 C ATOM 459 CG PRO A 35 -6.817 1.662 0.365 1.00 40.48 C ATOM 460 CD PRO A 35 -7.218 0.977 1.644 1.00 38.79 C ATOM 461 HA PRO A 35 -8.356 -0.498 -0.789 1.00 0.00 H ATOM 462 HD3 PRO A 35 -6.376 0.914 2.333 1.00 0.00 H ATOM 463 HD2 PRO A 35 -8.042 1.502 2.126 1.00 0.00 H ATOM 464 HG3 PRO A 35 -7.651 2.243 -0.029 1.00 0.00 H ATOM 465 HG2 PRO A 35 -5.967 2.322 0.541 1.00 0.00 H ATOM 466 HB2 PRO A 35 -5.412 0.274 -0.437 1.00 0.00 H ATOM 467 HB3 PRO A 35 -6.579 0.915 -1.617 1.00 0.00 H ATOM 468 N TYR A 36 -5.850 -2.320 0.212 1.00 48.27 N ATOM 469 CA TYR A 36 -5.261 -3.640 0.044 1.00 46.46 C ATOM 470 C TYR A 36 -5.727 -4.437 1.247 1.00 48.14 C ATOM 471 O TYR A 36 -4.999 -4.550 2.230 1.00 51.19 O ATOM 472 CB TYR A 36 -3.730 -3.583 0.017 1.00 45.93 C ATOM 473 CG TYR A 36 -3.110 -2.591 -0.921 1.00 49.01 C ATOM 474 CD1 TYR A 36 -3.775 -2.108 -2.028 1.00 54.50 C ATOM 475 CD2 TYR A 36 -1.835 -2.128 -0.696 1.00 56.80 C ATOM 476 CE1 TYR A 36 -3.188 -1.157 -2.876 1.00 58.74 C ATOM 477 CE2 TYR A 36 -1.223 -1.192 -1.544 1.00 60.46 C ATOM 478 CZ TYR A 36 -1.908 -0.701 -2.633 1.00 60.51 C ATOM 479 OH TYR A 36 -1.296 0.219 -3.468 1.00 55.65 O ATOM 480 HA TYR A 36 -5.566 -4.085 -0.903 1.00 0.00 H ATOM 481 HB3 TYR A 36 -3.367 -4.573 -0.261 1.00 0.00 H ATOM 482 HB2 TYR A 36 -3.390 -3.343 1.024 1.00 0.00 H ATOM 483 HD2 TYR A 36 -1.283 -2.499 0.167 1.00 0.00 H ATOM 484 HE2 TYR A 36 -0.207 -0.854 -1.341 1.00 0.00 H ATOM 485 HE1 TYR A 36 -3.746 -0.776 -3.732 1.00 0.00 H ATOM 486 HD1 TYR A 36 -4.778 -2.473 -2.249 1.00 0.00 H ATOM 487 HH TYR A 36 -1.919 0.468 -4.196 1.00 0.00 H ATOM 488 H TYR A 36 -5.499 -1.705 0.974 1.00 0.00 H ATOM 489 N PRO A 37 -6.956 -4.986 1.198 1.00 50.14 N ATOM 490 CA PRO A 37 -7.465 -5.704 2.368 1.00 48.79 C ATOM 491 C PRO A 37 -6.861 -7.088 2.460 1.00 50.54 C ATOM 492 O PRO A 37 -6.594 -7.719 1.431 1.00 44.62 O ATOM 493 CB PRO A 37 -8.934 -5.836 2.061 1.00 47.07 C ATOM 494 CG PRO A 37 -8.954 -6.027 0.576 1.00 45.67 C ATOM 495 CD PRO A 37 -7.821 -5.208 0.027 1.00 47.10 C ATOM 496 HA PRO A 37 -7.238 -5.195 3.305 1.00 0.00 H ATOM 497 HD3 PRO A 37 -7.289 -5.753 -0.753 1.00 0.00 H ATOM 498 HD2 PRO A 37 -8.183 -4.262 -0.375 1.00 0.00 H ATOM 499 HG3 PRO A 37 -9.903 -5.682 0.164 1.00 0.00 H ATOM 500 HG2 PRO A 37 -8.813 -7.079 0.329 1.00 0.00 H ATOM 501 HB2 PRO A 37 -9.365 -6.696 2.573 1.00 0.00 H ATOM 502 HB3 PRO A 37 -9.477 -4.935 2.347 1.00 0.00 H ATOM 503 N PRO A 38 -6.603 -7.547 3.679 1.00 52.22 N ATOM 504 CA PRO A 38 -6.166 -8.919 3.820 1.00 53.72 C ATOM 505 C PRO A 38 -7.352 -9.794 3.544 1.00 59.12 C ATOM 506 O PRO A 38 -8.489 -9.323 3.638 1.00 57.25 O ATOM 507 CB PRO A 38 -5.774 -9.019 5.275 1.00 53.91 C ATOM 508 CG PRO A 38 -6.650 -8.025 5.947 1.00 59.26 C ATOM 509 CD PRO A 38 -6.908 -6.913 4.966 1.00 55.14 C ATOM 510 HA PRO A 38 -5.353 -9.210 3.155 1.00 0.00 H ATOM 511 HD3 PRO A 38 -7.946 -6.584 5.007 1.00 0.00 H ATOM 512 HD2 PRO A 38 -6.251 -6.063 5.152 1.00 0.00 H ATOM 513 HG3 PRO A 38 -6.154 -7.631 6.834 1.00 0.00 H ATOM 514 HG2 PRO A 38 -7.591 -8.493 6.236 1.00 0.00 H ATOM 515 HB2 PRO A 38 -5.959 -10.022 5.659 1.00 0.00 H ATOM 516 HB3 PRO A 38 -4.723 -8.766 5.413 1.00 0.00 H ATOM 517 N PRO A 39 -7.107 -11.069 3.219 1.00 72.36 N ATOM 518 CA PRO A 39 -8.193 -11.978 2.867 1.00 73.94 C ATOM 519 C PRO A 39 -9.072 -12.327 4.071 1.00 67.42 C ATOM 520 O PRO A 39 -8.578 -12.446 5.189 1.00 65.07 O ATOM 521 CB PRO A 39 -7.470 -13.228 2.367 1.00 73.18 C ATOM 522 CG PRO A 39 -6.021 -12.993 2.593 1.00 74.90 C ATOM 523 CD PRO A 39 -5.870 -11.810 3.489 1.00 75.20 C ATOM 524 HA PRO A 39 -8.867 -11.535 2.133 1.00 0.00 H ATOM 525 HD3 PRO A 39 -5.807 -12.110 4.535 1.00 0.00 H ATOM 526 HD2 PRO A 39 -4.990 -11.223 3.227 1.00 0.00 H ATOM 527 HG3 PRO A 39 -5.526 -12.800 1.641 1.00 0.00 H ATOM 528 HG2 PRO A 39 -5.574 -13.870 3.062 1.00 0.00 H ATOM 529 HB2 PRO A 39 -7.802 -14.104 2.924 1.00 0.00 H ATOM 530 HB3 PRO A 39 -7.667 -13.378 1.306 1.00 0.00 H ATOM 531 N GLY A 40 -10.366 -12.447 3.825 1.00 60.00 N ATOM 532 CA GLY A 40 -11.323 -12.643 4.896 1.00 59.50 C ATOM 533 C GLY A 40 -11.849 -11.367 5.541 1.00 54.47 C ATOM 534 O GLY A 40 -12.623 -11.441 6.494 1.00 58.36 O ATOM 535 HA3 GLY A 40 -10.843 -13.240 5.672 1.00 0.00 H ATOM 536 HA2 GLY A 40 -12.174 -13.192 4.492 1.00 0.00 H ATOM 537 H GLY A 40 -10.704 -12.400 2.843 1.00 0.00 H ATOM 538 N TYR A 41 -11.463 -10.204 5.031 1.00 50.91 N ATOM 539 CA TYR A 41 -11.940 -8.937 5.583 1.00 52.22 C ATOM 540 C TYR A 41 -12.531 -8.067 4.504 1.00 49.35 C ATOM 541 O TYR A 41 -12.075 -8.091 3.371 1.00 47.23 O ATOM 542 CB TYR A 41 -10.804 -8.169 6.275 1.00 55.60 C ATOM 543 CG TYR A 41 -10.275 -8.827 7.544 1.00 58.48 C ATOM 544 CD1 TYR A 41 -9.362 -9.885 7.465 1.00 60.96 C ATOM 545 CD2 TYR A 41 -10.640 -8.381 8.794 1.00 57.38 C ATOM 546 CE1 TYR A 41 -8.835 -10.477 8.595 1.00 65.88 C ATOM 547 CE2 TYR A 41 -10.132 -8.979 9.935 1.00 67.99 C ATOM 548 CZ TYR A 41 -9.230 -10.029 9.834 1.00 73.32 C ATOM 549 OH TYR A 41 -8.716 -10.627 10.982 1.00 78.63 O ATOM 550 HA TYR A 41 -12.709 -9.178 6.317 1.00 0.00 H ATOM 551 HB3 TYR A 41 -11.173 -7.177 6.534 1.00 0.00 H ATOM 552 HB2 TYR A 41 -9.978 -8.075 5.570 1.00 0.00 H ATOM 553 HD2 TYR A 41 -11.337 -7.548 8.887 1.00 0.00 H ATOM 554 HE2 TYR A 41 -10.442 -8.623 10.918 1.00 0.00 H ATOM 555 HE1 TYR A 41 -8.114 -11.290 8.507 1.00 0.00 H ATOM 556 HD1 TYR A 41 -9.059 -10.251 6.484 1.00 0.00 H ATOM 557 HH TYR A 41 -8.232 -9.949 11.517 1.00 0.00 H ATOM 558 H TYR A 41 -10.808 -10.194 4.223 1.00 0.00 H ATOM 559 N LYS A 42 -13.528 -7.265 4.872 1.00 52.72 N ATOM 560 CA LYS A 42 -14.101 -6.269 3.957 1.00 50.92 C ATOM 561 C LYS A 42 -13.029 -5.213 3.653 1.00 50.29 C ATOM 562 O LYS A 42 -12.009 -5.132 4.332 1.00 58.84 O ATOM 563 CB LYS A 42 -15.399 -5.655 4.548 1.00 44.78 C ATOM 564 HA LYS A 42 -14.395 -6.741 3.019 1.00 0.00 H ATOM 565 HB2 LYS A 42 -16.132 -6.445 4.710 1.00 0.00 H ATOM 566 HB3 LYS A 42 -15.170 -5.169 5.497 1.00 0.00 H ATOM 567 H LYS A 42 -13.912 -7.346 5.835 1.00 0.00 H ATOM 568 N THR A 43 -13.252 -4.424 2.625 1.00 52.00 N ATOM 569 CA THR A 43 -12.311 -3.375 2.237 1.00 56.09 C ATOM 570 C THR A 43 -12.876 -1.944 2.383 1.00 54.26 C ATOM 571 O THR A 43 -12.127 -0.973 2.277 1.00 63.71 O ATOM 572 CB THR A 43 -11.799 -3.586 0.796 1.00 59.63 C ATOM 573 OG1 THR A 43 -10.992 -2.475 0.396 1.00 66.40 O ATOM 574 CG2 THR A 43 -12.945 -3.703 -0.186 1.00 65.94 C ATOM 575 HA THR A 43 -11.482 -3.463 2.939 1.00 0.00 H ATOM 576 HB THR A 43 -11.220 -4.509 0.790 1.00 0.00 H ATOM 577 HG1 THR A 43 -10.218 -2.393 1.008 1.00 0.00 H ATOM 578 HG23 THR A 43 -13.578 -4.544 0.095 1.00 0.00 H ATOM 579 HG21 THR A 43 -13.531 -2.784 -0.170 1.00 0.00 H ATOM 580 HG22 THR A 43 -12.548 -3.865 -1.188 1.00 0.00 H ATOM 581 H THR A 43 -14.124 -4.550 2.072 1.00 0.00 H ATOM 582 N ARG A 44 -14.179 -1.803 2.579 1.00 46.08 N ATOM 583 CA ARG A 44 -14.761 -0.494 2.820 1.00 46.00 C ATOM 584 C ARG A 44 -15.764 -0.627 3.926 1.00 46.95 C ATOM 585 O ARG A 44 -16.500 -1.625 3.994 1.00 55.50 O ATOM 586 CB ARG A 44 -15.425 0.083 1.555 1.00 45.35 C ATOM 587 HA ARG A 44 -13.970 0.202 3.102 1.00 0.00 H ATOM 588 HB2 ARG A 44 -14.678 0.181 0.767 1.00 0.00 H ATOM 589 HB3 ARG A 44 -16.218 -0.588 1.224 1.00 0.00 H ATOM 590 H ARG A 44 -14.794 -2.642 2.560 1.00 0.00 H ATOM 591 N PHE A 45 -15.819 0.383 4.783 1.00 47.61 N ATOM 592 CA PHE A 45 -16.735 0.379 5.913 1.00 49.76 C ATOM 593 C PHE A 45 -17.466 1.711 5.938 1.00 50.08 C ATOM 594 O PHE A 45 -16.948 2.684 6.455 1.00 53.25 O ATOM 595 CB PHE A 45 -15.972 0.165 7.213 1.00 47.97 C ATOM 596 CG PHE A 45 -15.192 -1.129 7.268 1.00 46.83 C ATOM 597 CD1 PHE A 45 -14.029 -1.283 6.529 1.00 55.19 C ATOM 598 CD2 PHE A 45 -15.593 -2.177 8.077 1.00 43.45 C ATOM 599 CE1 PHE A 45 -13.294 -2.474 6.585 1.00 53.60 C ATOM 600 CE2 PHE A 45 -14.874 -3.358 8.140 1.00 42.42 C ATOM 601 CZ PHE A 45 -13.716 -3.506 7.406 1.00 46.41 C ATOM 602 HA PHE A 45 -17.452 -0.436 5.810 1.00 0.00 H ATOM 603 HB2 PHE A 45 -15.273 0.992 7.339 1.00 0.00 H ATOM 604 HB3 PHE A 45 -16.688 0.168 8.035 1.00 0.00 H ATOM 605 HD2 PHE A 45 -16.496 -2.070 8.679 1.00 0.00 H ATOM 606 HE2 PHE A 45 -15.224 -4.174 8.772 1.00 0.00 H ATOM 607 HZ PHE A 45 -13.138 -4.428 7.472 1.00 0.00 H ATOM 608 HE1 PHE A 45 -12.392 -2.588 5.984 1.00 0.00 H ATOM 609 HD1 PHE A 45 -13.682 -0.466 5.896 1.00 0.00 H ATOM 610 H PHE A 45 -15.191 1.200 4.644 1.00 0.00 H ATOM 611 N GLU A 46 -18.656 1.750 5.341 1.00 52.51 N ATOM 612 CA GLU A 46 -19.397 3.004 5.186 1.00 54.64 C ATOM 613 C GLU A 46 -20.268 3.222 6.409 1.00 55.84 C ATOM 614 O GLU A 46 -20.994 2.325 6.836 1.00 53.28 O ATOM 615 CB GLU A 46 -20.228 3.041 3.908 1.00 60.44 C ATOM 616 HA GLU A 46 -18.674 3.815 5.099 1.00 0.00 H ATOM 617 HB2 GLU A 46 -19.571 2.932 3.045 1.00 0.00 H ATOM 618 HB3 GLU A 46 -20.950 2.225 3.922 1.00 0.00 H ATOM 619 H GLU A 46 -19.069 0.868 4.976 1.00 0.00 H ATOM 620 N GLY A 47 -20.118 4.392 7.019 1.00 61.94 N ATOM 621 CA GLY A 47 -20.923 4.778 8.167 1.00 66.58 C ATOM 622 C GLY A 47 -20.320 4.458 9.528 1.00 68.03 C ATOM 623 O GLY A 47 -19.701 3.390 9.707 1.00 80.15 O ATOM 624 HA3 GLY A 47 -21.881 4.263 8.094 1.00 0.00 H ATOM 625 HA2 GLY A 47 -21.086 5.855 8.116 1.00 0.00 H ATOM 626 H GLY A 47 -19.400 5.055 6.663 1.00 0.00 H ATOM 627 N ARG A 48 -20.515 5.370 10.485 1.00 59.66 N ATOM 628 CA ARG A 48 -19.940 5.208 11.804 1.00 59.14 C ATOM 629 C ARG A 48 -20.353 3.879 12.430 1.00 63.56 C ATOM 630 O ARG A 48 -19.500 3.140 12.959 1.00 68.91 O ATOM 631 CB ARG A 48 -20.258 6.379 12.726 1.00 57.86 C ATOM 632 CG ARG A 48 -19.966 6.104 14.192 1.00 61.31 C ATOM 633 CD ARG A 48 -19.356 7.315 14.902 1.00 70.11 C ATOM 634 NE ARG A 48 -20.315 8.349 15.330 1.00 70.80 N ATOM 635 CZ ARG A 48 -20.579 9.471 14.669 1.00 69.21 C ATOM 636 NH1 ARG A 48 -20.003 9.732 13.510 1.00 65.97 N ATOM 637 NH2 ARG A 48 -21.453 10.332 15.156 1.00 77.89 N ATOM 638 HA ARG A 48 -18.858 5.196 11.675 1.00 0.00 H ATOM 639 HB2 ARG A 48 -19.662 7.236 12.412 1.00 0.00 H ATOM 640 HB3 ARG A 48 -21.317 6.618 12.625 1.00 0.00 H ATOM 641 HG2 ARG A 48 -20.898 5.838 14.691 1.00 0.00 H ATOM 642 HG3 ARG A 48 -19.268 5.270 14.260 1.00 0.00 H ATOM 643 HD2 ARG A 48 -18.642 7.779 14.221 1.00 0.00 H ATOM 644 HD3 ARG A 48 -18.831 6.956 15.787 1.00 0.00 H ATOM 645 HE ARG A 48 -20.826 8.187 16.221 1.00 0.00 H ATOM 646 HH12 ARG A 48 -20.222 10.616 13.008 1.00 0.00 H ATOM 647 HH11 ARG A 48 -19.330 9.054 13.099 1.00 0.00 H ATOM 648 HH22 ARG A 48 -21.661 11.211 14.640 1.00 0.00 H ATOM 649 HH21 ARG A 48 -21.934 10.132 16.056 1.00 0.00 H ATOM 650 H ARG A 48 -21.090 6.212 10.279 1.00 0.00 H ATOM 651 N GLU A 49 -21.645 3.578 12.389 1.00 64.36 N ATOM 652 CA GLU A 49 -22.173 2.390 13.061 1.00 66.68 C ATOM 653 C GLU A 49 -21.435 1.147 12.622 1.00 63.27 C ATOM 654 O GLU A 49 -21.080 0.285 13.436 1.00 62.99 O ATOM 655 CB GLU A 49 -23.668 2.235 12.769 1.00 72.22 C ATOM 656 HA GLU A 49 -22.028 2.518 14.134 1.00 0.00 H ATOM 657 HB2 GLU A 49 -24.201 3.115 13.130 1.00 0.00 H ATOM 658 HB3 GLU A 49 -23.818 2.133 11.694 1.00 0.00 H ATOM 659 H GLU A 49 -22.296 4.200 11.868 1.00 0.00 H ATOM 660 N THR A 50 -21.198 1.067 11.328 1.00 64.11 N ATOM 661 CA THR A 50 -20.516 -0.085 10.758 1.00 70.75 C ATOM 662 C THR A 50 -19.041 -0.100 11.141 1.00 70.21 C ATOM 663 O THR A 50 -18.515 -1.127 11.550 1.00 77.25 O ATOM 664 CB THR A 50 -20.647 -0.060 9.231 1.00 72.89 C ATOM 665 OG1 THR A 50 -21.983 0.340 8.884 1.00 75.82 O ATOM 666 CG2 THR A 50 -20.338 -1.418 8.651 1.00 67.66 C ATOM 667 HA THR A 50 -20.983 -0.986 11.157 1.00 0.00 H ATOM 668 HB THR A 50 -19.933 0.652 8.818 1.00 0.00 H ATOM 669 HG1 THR A 50 -22.075 0.358 7.898 1.00 0.00 H ATOM 670 HG23 THR A 50 -19.322 -1.705 8.923 1.00 0.00 H ATOM 671 HG21 THR A 50 -21.043 -2.150 9.047 1.00 0.00 H ATOM 672 HG22 THR A 50 -20.426 -1.377 7.565 1.00 0.00 H ATOM 673 H THR A 50 -21.504 1.841 10.704 1.00 0.00 H ATOM 674 N ILE A 51 -18.386 1.053 11.027 1.00 65.12 N ATOM 675 CA ILE A 51 -16.990 1.186 11.408 1.00 57.88 C ATOM 676 C ILE A 51 -16.818 0.767 12.866 1.00 57.54 C ATOM 677 O ILE A 51 -15.874 0.046 13.211 1.00 52.71 O ATOM 678 CB ILE A 51 -16.506 2.639 11.272 1.00 57.61 C ATOM 679 CG1 ILE A 51 -16.657 3.138 9.834 1.00 56.86 C ATOM 680 CG2 ILE A 51 -15.054 2.754 11.724 1.00 61.95 C ATOM 681 CD1 ILE A 51 -16.112 4.530 9.616 1.00 55.70 C ATOM 682 HA ILE A 51 -16.404 0.550 10.744 1.00 0.00 H ATOM 683 HB ILE A 51 -17.127 3.266 11.912 1.00 0.00 H ATOM 684 HG12 ILE A 51 -16.126 2.452 9.174 1.00 0.00 H ATOM 685 HG13 ILE A 51 -17.717 3.139 9.579 1.00 0.00 H ATOM 686 HD11 ILE A 51 -16.641 5.231 10.262 1.00 0.00 H ATOM 687 HD12 ILE A 51 -15.049 4.544 9.856 1.00 0.00 H ATOM 688 HD13 ILE A 51 -16.254 4.815 8.574 1.00 0.00 H ATOM 689 HG21 ILE A 51 -14.974 2.446 12.767 1.00 0.00 H ATOM 690 HG22 ILE A 51 -14.430 2.110 11.105 1.00 0.00 H ATOM 691 HG23 ILE A 51 -14.724 3.788 11.623 1.00 0.00 H ATOM 692 H ILE A 51 -18.888 1.884 10.654 1.00 0.00 H ATOM 693 N TRP A 52 -17.731 1.234 13.712 1.00 52.92 N ATOM 694 CA TRP A 52 -17.749 0.836 15.104 1.00 57.39 C ATOM 695 C TRP A 52 -17.873 -0.683 15.242 1.00 62.12 C ATOM 696 O TRP A 52 -17.141 -1.311 16.023 1.00 77.06 O ATOM 697 CB TRP A 52 -18.898 1.520 15.830 1.00 59.42 C ATOM 698 CG TRP A 52 -19.284 0.863 17.116 1.00 59.62 C ATOM 699 CD1 TRP A 52 -20.514 0.387 17.444 1.00 57.39 C ATOM 700 CD2 TRP A 52 -18.441 0.613 18.235 1.00 59.85 C ATOM 701 NE1 TRP A 52 -20.492 -0.135 18.697 1.00 58.73 N ATOM 702 CE2 TRP A 52 -19.234 0.002 19.213 1.00 56.83 C ATOM 703 CE3 TRP A 52 -17.095 0.864 18.511 1.00 63.24 C ATOM 704 CZ2 TRP A 52 -18.734 -0.381 20.435 1.00 60.17 C ATOM 705 CZ3 TRP A 52 -16.594 0.487 19.725 1.00 68.95 C ATOM 706 CH2 TRP A 52 -17.411 -0.150 20.671 1.00 70.39 C ATOM 707 HA TRP A 52 -16.806 1.143 15.555 1.00 0.00 H ATOM 708 HB2 TRP A 52 -18.604 2.548 16.045 1.00 0.00 H ATOM 709 HB3 TRP A 52 -19.767 1.522 15.172 1.00 0.00 H ATOM 710 HE1 TRP A 52 -21.301 -0.569 19.185 1.00 0.00 H ATOM 711 HD1 TRP A 52 -21.390 0.420 16.796 1.00 0.00 H ATOM 712 HZ2 TRP A 52 -19.370 -0.851 21.185 1.00 0.00 H ATOM 713 HH2 TRP A 52 -16.977 -0.468 21.619 1.00 0.00 H ATOM 714 HZ3 TRP A 52 -15.548 0.683 19.961 1.00 0.00 H ATOM 715 HE3 TRP A 52 -16.457 1.351 17.773 1.00 0.00 H ATOM 716 H TRP A 52 -18.450 1.901 13.366 1.00 0.00 H ATOM 717 N ALA A 53 -18.809 -1.264 14.499 1.00 58.00 N ATOM 718 CA ALA A 53 -19.075 -2.705 14.554 1.00 55.34 C ATOM 719 C ALA A 53 -17.832 -3.473 14.249 1.00 55.13 C ATOM 720 O ALA A 53 -17.542 -4.488 14.878 1.00 67.35 O ATOM 721 CB ALA A 53 -20.159 -3.069 13.563 1.00 55.57 C ATOM 722 HA ALA A 53 -19.409 -2.960 15.560 1.00 0.00 H ATOM 723 HB1 ALA A 53 -21.071 -2.526 13.809 1.00 0.00 H ATOM 724 HB2 ALA A 53 -19.835 -2.802 12.557 1.00 0.00 H ATOM 725 HB3 ALA A 53 -20.349 -4.141 13.612 1.00 0.00 H ATOM 726 H ALA A 53 -19.374 -0.675 13.855 1.00 0.00 H ATOM 727 N HIS A 54 -17.087 -2.970 13.284 1.00 56.31 N ATOM 728 CA HIS A 54 -15.819 -3.566 12.895 1.00 63.08 C ATOM 729 C HIS A 54 -14.784 -3.431 14.007 1.00 66.54 C ATOM 730 O HIS A 54 -14.216 -4.423 14.461 1.00 71.57 O ATOM 731 CB HIS A 54 -15.334 -2.888 11.619 1.00 64.98 C ATOM 732 CG HIS A 54 -13.933 -3.235 11.231 1.00 62.87 C ATOM 733 ND1 HIS A 54 -13.380 -4.474 11.449 1.00 63.82 N ATOM 734 CD2 HIS A 54 -12.999 -2.519 10.568 1.00 63.34 C ATOM 735 CE1 HIS A 54 -12.156 -4.500 10.952 1.00 65.86 C ATOM 736 NE2 HIS A 54 -11.898 -3.322 10.417 1.00 62.05 N ATOM 737 HA HIS A 54 -15.960 -4.632 12.715 1.00 0.00 H ATOM 738 HB2 HIS A 54 -15.996 -3.180 10.804 1.00 0.00 H ATOM 739 HB3 HIS A 54 -15.391 -1.809 11.763 1.00 0.00 H ATOM 740 HD2 HIS A 54 -13.102 -1.492 10.218 1.00 0.00 H ATOM 741 HE1 HIS A 54 -11.475 -5.351 10.979 1.00 0.00 H ATOM 742 H HIS A 54 -17.417 -2.119 12.785 1.00 0.00 H ATOM 743 N MET A 55 -14.598 -2.208 14.494 1.00 69.10 N ATOM 744 CA MET A 55 -13.585 -1.936 15.518 1.00 67.99 C ATOM 745 C MET A 55 -13.946 -2.354 16.940 1.00 65.97 C ATOM 746 O MET A 55 -13.054 -2.521 17.774 1.00 57.52 O ATOM 747 CB MET A 55 -13.224 -0.460 15.510 1.00 69.44 C ATOM 748 CG MET A 55 -12.156 -0.162 14.490 1.00 71.80 C ATOM 749 SD MET A 55 -10.568 -0.775 15.055 1.00 65.94 S ATOM 750 CE MET A 55 -9.742 -0.852 13.469 1.00 60.35 C ATOM 751 HA MET A 55 -12.739 -2.563 15.238 1.00 0.00 H ATOM 752 HB2 MET A 55 -14.114 0.122 15.272 1.00 0.00 H ATOM 753 HB3 MET A 55 -12.860 -0.178 16.498 1.00 0.00 H ATOM 754 HG2 MET A 55 -12.093 0.916 14.339 1.00 0.00 H ATOM 755 HG3 MET A 55 -12.414 -0.645 13.547 1.00 0.00 H ATOM 756 HE1 MET A 55 -10.285 -1.530 12.811 1.00 0.00 H ATOM 757 HE2 MET A 55 -9.716 0.143 13.026 1.00 0.00 H ATOM 758 HE3 MET A 55 -8.724 -1.216 13.608 1.00 0.00 H ATOM 759 H MET A 55 -15.185 -1.426 14.140 1.00 0.00 H ATOM 760 N ARG A 56 -15.244 -2.507 17.211 1.00 65.18 N ATOM 761 CA ARG A 56 -15.714 -2.966 18.504 1.00 63.88 C ATOM 762 C ARG A 56 -14.712 -3.972 19.116 1.00 66.11 C ATOM 763 O ARG A 56 -14.264 -3.797 20.237 1.00 64.57 O ATOM 764 CB ARG A 56 -17.091 -3.680 18.349 1.00 56.43 C ATOM 765 CG ARG A 56 -18.327 -2.827 18.559 1.00 52.51 C ATOM 766 CD ARG A 56 -19.363 -3.470 19.495 1.00 47.90 C ATOM 767 HA ARG A 56 -15.811 -2.098 19.156 1.00 0.00 H ATOM 768 HB2 ARG A 56 -17.139 -4.090 17.340 1.00 0.00 H ATOM 769 HB3 ARG A 56 -17.124 -4.495 19.073 1.00 0.00 H ATOM 770 HG2 ARG A 56 -18.020 -1.873 18.987 1.00 0.00 H ATOM 771 HG3 ARG A 56 -18.796 -2.655 17.590 1.00 0.00 H ATOM 772 HD2 ARG A 56 -19.689 -4.421 19.075 1.00 0.00 H ATOM 773 HD3 ARG A 56 -18.912 -3.639 20.473 1.00 0.00 H ATOM 774 H ARG A 56 -15.941 -2.290 16.471 1.00 0.00 H ATOM 775 N LEU A 57 -14.421 -5.044 18.382 1.00 60.63 N ATOM 776 CA LEU A 57 -13.715 -6.193 18.931 1.00 54.32 C ATOM 777 C LEU A 57 -12.239 -5.959 19.111 1.00 55.73 C ATOM 778 O LEU A 57 -11.547 -6.752 19.754 1.00 54.07 O ATOM 779 CB LEU A 57 -13.910 -7.383 17.983 1.00 52.67 C ATOM 780 CG LEU A 57 -13.440 -8.745 18.498 1.00 50.99 C ATOM 781 CD1 LEU A 57 -14.405 -9.241 19.554 1.00 49.65 C ATOM 782 CD2 LEU A 57 -13.307 -9.744 17.368 1.00 49.23 C ATOM 783 HA LEU A 57 -14.131 -6.384 19.920 1.00 0.00 H ATOM 784 HB2 LEU A 57 -14.975 -7.461 17.762 1.00 0.00 H ATOM 785 HB3 LEU A 57 -13.364 -7.169 17.064 1.00 0.00 H ATOM 786 HG LEU A 57 -12.451 -8.633 18.943 1.00 0.00 H ATOM 787 HD21 LEU A 57 -14.274 -9.871 16.882 1.00 0.00 H ATOM 788 HD22 LEU A 57 -12.580 -9.377 16.644 1.00 0.00 H ATOM 789 HD23 LEU A 57 -12.971 -10.701 17.768 1.00 0.00 H ATOM 790 HD11 LEU A 57 -14.436 -8.529 20.379 1.00 0.00 H ATOM 791 HD12 LEU A 57 -15.400 -9.338 19.119 1.00 0.00 H ATOM 792 HD13 LEU A 57 -14.072 -10.211 19.922 1.00 0.00 H ATOM 793 H LEU A 57 -14.708 -5.061 17.382 1.00 0.00 H ATOM 794 N PHE A 58 -11.740 -4.878 18.531 1.00 63.34 N ATOM 795 CA PHE A 58 -10.287 -4.604 18.499 1.00 65.70 C ATOM 796 C PHE A 58 -9.550 -4.873 19.822 1.00 62.13 C ATOM 797 O PHE A 58 -8.698 -5.767 19.880 1.00 58.13 O ATOM 798 CB PHE A 58 -10.041 -3.166 18.019 1.00 66.26 C ATOM 799 CG PHE A 58 -8.652 -2.691 18.234 1.00 65.49 C ATOM 800 CD1 PHE A 58 -7.598 -3.331 17.614 1.00 64.85 C ATOM 801 CD2 PHE A 58 -8.395 -1.602 19.065 1.00 65.87 C ATOM 802 CE1 PHE A 58 -6.301 -2.895 17.808 1.00 65.70 C ATOM 803 CE2 PHE A 58 -7.105 -1.154 19.254 1.00 62.69 C ATOM 804 CZ PHE A 58 -6.057 -1.805 18.630 1.00 64.57 C ATOM 805 HA PHE A 58 -9.862 -5.318 17.794 1.00 0.00 H ATOM 806 HB2 PHE A 58 -10.260 -3.118 16.952 1.00 0.00 H ATOM 807 HB3 PHE A 58 -10.718 -2.503 18.558 1.00 0.00 H ATOM 808 HD2 PHE A 58 -9.221 -1.100 19.570 1.00 0.00 H ATOM 809 HE2 PHE A 58 -6.912 -0.291 19.892 1.00 0.00 H ATOM 810 HZ PHE A 58 -5.035 -1.460 18.785 1.00 0.00 H ATOM 811 HE1 PHE A 58 -5.473 -3.406 17.317 1.00 0.00 H ATOM 812 HD1 PHE A 58 -7.790 -4.187 16.967 1.00 0.00 H ATOM 813 H PHE A 58 -12.390 -4.201 18.084 1.00 0.00 H ATOM 814 N PRO A 59 -9.885 -4.120 20.886 1.00 60.36 N ATOM 815 CA PRO A 59 -9.154 -4.270 22.132 1.00 66.93 C ATOM 816 C PRO A 59 -9.223 -5.645 22.768 1.00 66.45 C ATOM 817 O PRO A 59 -8.376 -5.991 23.584 1.00 73.38 O ATOM 818 CB PRO A 59 -9.816 -3.250 23.054 1.00 71.74 C ATOM 819 CG PRO A 59 -11.162 -3.036 22.491 1.00 68.08 C ATOM 820 CD PRO A 59 -10.985 -3.158 21.018 1.00 63.09 C ATOM 821 HA PRO A 59 -8.089 -4.124 21.952 1.00 0.00 H ATOM 822 HD3 PRO A 59 -11.892 -3.535 20.546 1.00 0.00 H ATOM 823 HD2 PRO A 59 -10.719 -2.198 20.576 1.00 0.00 H ATOM 824 HG3 PRO A 59 -11.534 -2.045 22.752 1.00 0.00 H ATOM 825 HG2 PRO A 59 -11.856 -3.792 22.858 1.00 0.00 H ATOM 826 HB2 PRO A 59 -9.884 -3.640 24.070 1.00 0.00 H ATOM 827 HB3 PRO A 59 -9.252 -2.318 23.061 1.00 0.00 H ATOM 828 N GLU A 60 -10.195 -6.442 22.374 1.00 73.33 N ATOM 829 CA GLU A 60 -10.315 -7.781 22.912 1.00 78.59 C ATOM 830 C GLU A 60 -9.208 -8.725 22.373 1.00 75.94 C ATOM 831 O GLU A 60 -8.760 -9.620 23.076 1.00 72.21 O ATOM 832 CB GLU A 60 -11.700 -8.329 22.620 1.00 80.68 C ATOM 833 CG GLU A 60 -12.825 -7.291 22.505 1.00 89.83 C ATOM 834 CD GLU A 60 -13.479 -6.933 23.822 1.00 96.20 C ATOM 835 OE1 GLU A 60 -13.908 -7.885 24.519 1.00102.25 O ATOM 836 OE2 GLU A 60 -13.599 -5.715 24.142 1.00 87.22 O ATOM 837 HA GLU A 60 -10.177 -7.728 23.992 1.00 0.00 H ATOM 838 HB2 GLU A 60 -11.651 -8.874 21.677 1.00 0.00 H ATOM 839 HB3 GLU A 60 -11.962 -9.018 23.423 1.00 0.00 H ATOM 840 HG2 GLU A 60 -12.408 -6.382 22.072 1.00 0.00 H ATOM 841 HG3 GLU A 60 -13.591 -7.690 21.840 1.00 0.00 H ATOM 842 H GLU A 60 -10.883 -6.106 21.670 1.00 0.00 H ATOM 843 N TYR A 61 -8.749 -8.522 21.142 1.00 77.68 N ATOM 844 CA TYR A 61 -7.741 -9.440 20.577 1.00 75.88 C ATOM 845 C TYR A 61 -6.327 -8.855 20.542 1.00 78.89 C ATOM 846 O TYR A 61 -5.363 -9.617 20.524 1.00 82.37 O ATOM 847 CB TYR A 61 -8.151 -9.986 19.199 1.00 74.03 C ATOM 848 CG TYR A 61 -8.500 -8.941 18.159 1.00 74.90 C ATOM 849 CD1 TYR A 61 -7.525 -8.402 17.336 1.00 78.05 C ATOM 850 CD2 TYR A 61 -9.812 -8.504 18.001 1.00 69.83 C ATOM 851 CE1 TYR A 61 -7.834 -7.444 16.387 1.00 82.21 C ATOM 852 CE2 TYR A 61 -10.133 -7.559 17.062 1.00 76.74 C ATOM 853 CZ TYR A 61 -9.144 -7.025 16.251 1.00 84.79 C ATOM 854 OH TYR A 61 -9.480 -6.073 15.294 1.00 84.07 O ATOM 855 HA TYR A 61 -7.708 -10.280 21.271 1.00 0.00 H ATOM 856 HB3 TYR A 61 -9.022 -10.626 19.337 1.00 0.00 H ATOM 857 HB2 TYR A 61 -7.323 -10.580 18.813 1.00 0.00 H ATOM 858 HD2 TYR A 61 -10.596 -8.920 18.634 1.00 0.00 H ATOM 859 HE2 TYR A 61 -11.166 -7.227 16.953 1.00 0.00 H ATOM 860 HE1 TYR A 61 -7.053 -7.024 15.753 1.00 0.00 H ATOM 861 HD1 TYR A 61 -6.494 -8.739 17.438 1.00 0.00 H ATOM 862 HH TYR A 61 -8.665 -5.797 14.804 1.00 0.00 H ATOM 863 H TYR A 61 -9.099 -7.720 20.580 1.00 0.00 H ATOM 864 N MET A 62 -6.194 -7.529 20.568 1.00 72.10 N ATOM 865 CA MET A 62 -4.882 -6.906 20.398 1.00 70.53 C ATOM 866 C MET A 62 -4.748 -5.553 21.071 1.00 69.62 C ATOM 867 O MET A 62 -5.736 -4.876 21.362 1.00 65.45 O ATOM 868 CB MET A 62 -4.563 -6.755 18.898 1.00 72.84 C ATOM 869 CG MET A 62 -3.808 -5.499 18.501 1.00 67.26 C ATOM 870 SD MET A 62 -3.820 -5.288 16.735 1.00 74.89 S ATOM 871 CE MET A 62 -2.477 -6.347 16.224 1.00 70.78 C ATOM 872 HA MET A 62 -4.171 -7.572 20.887 1.00 0.00 H ATOM 873 HB2 MET A 62 -3.964 -7.614 18.596 1.00 0.00 H ATOM 874 HB3 MET A 62 -5.507 -6.763 18.354 1.00 0.00 H ATOM 875 HG2 MET A 62 -2.777 -5.578 18.845 1.00 0.00 H ATOM 876 HG3 MET A 62 -4.281 -4.635 18.968 1.00 0.00 H ATOM 877 HE1 MET A 62 -1.551 -6.007 16.688 1.00 0.00 H ATOM 878 HE2 MET A 62 -2.686 -7.371 16.533 1.00 0.00 H ATOM 879 HE3 MET A 62 -2.377 -6.307 15.139 1.00 0.00 H ATOM 880 H MET A 62 -7.033 -6.931 20.711 1.00 0.00 H ATOM 881 N THR A 63 -3.495 -5.182 21.308 1.00 66.72 N ATOM 882 CA THR A 63 -3.140 -3.873 21.815 1.00 62.92 C ATOM 883 C THR A 63 -2.023 -3.341 20.900 1.00 64.26 C ATOM 884 O THR A 63 -1.089 -4.065 20.580 1.00 70.29 O ATOM 885 CB THR A 63 -2.744 -3.974 23.295 1.00 59.40 C ATOM 886 OG1 THR A 63 -2.147 -2.752 23.703 1.00 71.65 O ATOM 887 CG2 THR A 63 -1.777 -5.112 23.541 1.00 57.72 C ATOM 888 HA THR A 63 -3.972 -3.170 21.793 1.00 0.00 H ATOM 889 HB THR A 63 -3.646 -4.170 23.874 1.00 0.00 H ATOM 890 HG1 THR A 63 -1.890 -2.814 24.657 1.00 0.00 H ATOM 891 HG23 THR A 63 -2.235 -6.050 23.228 1.00 0.00 H ATOM 892 HG21 THR A 63 -0.865 -4.942 22.968 1.00 0.00 H ATOM 893 HG22 THR A 63 -1.537 -5.160 24.603 1.00 0.00 H ATOM 894 H THR A 63 -2.733 -5.864 21.121 1.00 0.00 H ATOM 895 N ILE A 64 -2.157 -2.106 20.414 1.00 64.70 N ATOM 896 CA ILE A 64 -1.216 -1.547 19.438 1.00 63.78 C ATOM 897 C ILE A 64 -0.533 -0.319 20.027 1.00 67.00 C ATOM 898 O ILE A 64 -1.098 0.376 20.890 1.00 61.31 O ATOM 899 CB ILE A 64 -1.915 -1.150 18.103 1.00 64.35 C ATOM 900 HA ILE A 64 -0.483 -2.323 19.215 1.00 0.00 H ATOM 901 HB ILE A 64 -2.377 -2.032 17.660 1.00 0.00 H ATOM 902 H ILE A 64 -2.954 -1.521 20.737 1.00 0.00 H ATOM 903 N ARG A 65 0.704 -0.087 19.577 1.00 66.44 N ATOM 904 CA ARG A 65 1.428 1.148 19.871 1.00 58.25 C ATOM 905 C ARG A 65 2.081 1.653 18.568 1.00 57.95 C ATOM 906 O ARG A 65 2.796 0.907 17.875 1.00 53.26 O ATOM 907 CB ARG A 65 2.432 0.955 21.019 1.00 52.28 C ATOM 908 HA ARG A 65 0.737 1.913 20.227 1.00 0.00 H ATOM 909 HB2 ARG A 65 1.899 0.645 21.918 1.00 0.00 H ATOM 910 HB3 ARG A 65 3.156 0.188 20.742 1.00 0.00 H ATOM 911 H ARG A 65 1.169 -0.813 18.995 1.00 0.00 H ATOM 912 N PHE A 66 1.791 2.916 18.223 1.00 59.23 N ATOM 913 CA PHE A 66 2.234 3.537 16.955 1.00 58.31 C ATOM 914 C PHE A 66 3.428 4.448 17.076 1.00 58.14 C ATOM 915 O PHE A 66 3.580 5.182 18.049 1.00 60.85 O ATOM 916 CB PHE A 66 1.129 4.397 16.361 1.00 58.09 C ATOM 917 CG PHE A 66 -0.104 3.641 16.034 1.00 59.18 C ATOM 918 CD1 PHE A 66 -0.097 2.687 15.028 1.00 61.09 C ATOM 919 CD2 PHE A 66 -1.276 3.897 16.720 1.00 57.80 C ATOM 920 CE1 PHE A 66 -1.242 1.993 14.717 1.00 62.78 C ATOM 921 CE2 PHE A 66 -2.423 3.213 16.421 1.00 60.08 C ATOM 922 CZ PHE A 66 -2.408 2.261 15.417 1.00 64.18 C ATOM 923 HA PHE A 66 2.500 2.683 16.333 1.00 0.00 H ATOM 924 HB2 PHE A 66 0.875 5.176 17.080 1.00 0.00 H ATOM 925 HB3 PHE A 66 1.504 4.856 15.446 1.00 0.00 H ATOM 926 HD2 PHE A 66 -1.287 4.651 17.507 1.00 0.00 H ATOM 927 HE2 PHE A 66 -3.342 3.417 16.970 1.00 0.00 H ATOM 928 HZ PHE A 66 -3.321 1.717 15.174 1.00 0.00 H ATOM 929 HE1 PHE A 66 -1.233 1.240 13.929 1.00 0.00 H ATOM 930 HD1 PHE A 66 0.823 2.486 14.480 1.00 0.00 H ATOM 931 H PHE A 66 1.225 3.489 18.881 1.00 0.00 H ATOM 932 N THR A 67 4.226 4.464 16.022 1.00 57.91 N ATOM 933 CA THR A 67 5.293 5.432 15.893 1.00 53.67 C ATOM 934 C THR A 67 4.654 6.748 15.541 1.00 58.09 C ATOM 935 O THR A 67 3.472 6.787 15.178 1.00 70.81 O ATOM 936 CB THR A 67 6.221 5.084 14.727 1.00 47.69 C ATOM 937 OG1 THR A 67 5.538 5.298 13.484 1.00 37.75 O ATOM 938 CG2 THR A 67 6.694 3.679 14.736 1.00 49.37 C ATOM 939 HA THR A 67 5.863 5.455 16.822 1.00 0.00 H ATOM 940 HB THR A 67 7.089 5.733 14.839 1.00 0.00 H ATOM 941 HG1 THR A 67 4.734 4.722 13.447 1.00 0.00 H ATOM 942 HG23 THR A 67 7.220 3.480 15.670 1.00 0.00 H ATOM 943 HG21 THR A 67 5.839 3.009 14.649 1.00 0.00 H ATOM 944 HG22 THR A 67 7.370 3.519 13.896 1.00 0.00 H ATOM 945 H THR A 67 4.083 3.763 15.267 1.00 0.00 H ATOM 946 N ASP A 68 5.428 7.822 15.647 1.00 60.14 N ATOM 947 CA ASP A 68 4.921 9.140 15.319 1.00 61.61 C ATOM 948 C ASP A 68 4.710 9.246 13.829 1.00 58.46 C ATOM 949 O ASP A 68 5.585 8.885 13.043 1.00 55.85 O ATOM 950 CB ASP A 68 5.842 10.226 15.824 1.00 67.74 C ATOM 951 CG ASP A 68 5.744 10.403 17.328 1.00 78.20 C ATOM 952 OD1 ASP A 68 5.817 9.399 18.077 1.00 88.25 O ATOM 953 OD2 ASP A 68 5.573 11.551 17.769 1.00 86.87 O ATOM 954 HA ASP A 68 3.963 9.280 15.819 1.00 0.00 H ATOM 955 HB2 ASP A 68 6.868 9.965 15.567 1.00 0.00 H ATOM 956 HB3 ASP A 68 5.576 11.166 15.341 1.00 0.00 H ATOM 957 H ASP A 68 6.411 7.716 15.970 1.00 0.00 H ATOM 958 N VAL A 69 3.516 9.689 13.447 1.00 54.96 N ATOM 959 CA VAL A 69 3.193 9.831 12.048 1.00 55.27 C ATOM 960 C VAL A 69 4.152 10.803 11.392 1.00 58.03 C ATOM 961 O VAL A 69 4.471 11.844 11.961 1.00 57.52 O ATOM 962 CB VAL A 69 1.763 10.352 11.850 1.00 53.47 C ATOM 963 CG1 VAL A 69 1.507 10.722 10.385 1.00 56.95 C ATOM 964 CG2 VAL A 69 0.761 9.328 12.318 1.00 48.79 C ATOM 965 HA VAL A 69 3.277 8.844 11.592 1.00 0.00 H ATOM 966 HB VAL A 69 1.647 11.255 12.450 1.00 0.00 H ATOM 967 HG11 VAL A 69 2.207 11.500 10.080 1.00 0.00 H ATOM 968 HG12 VAL A 69 1.647 9.841 9.759 1.00 0.00 H ATOM 969 HG13 VAL A 69 0.486 11.088 10.277 1.00 0.00 H ATOM 970 HG21 VAL A 69 0.887 8.410 11.745 1.00 0.00 H ATOM 971 HG22 VAL A 69 0.921 9.122 13.376 1.00 0.00 H ATOM 972 HG23 VAL A 69 -0.247 9.714 12.170 1.00 0.00 H ATOM 973 H VAL A 69 2.806 9.936 14.166 1.00 0.00 H ATOM 974 N GLN A 70 4.613 10.449 10.195 1.00 59.80 N ATOM 975 CA GLN A 70 5.361 11.368 9.354 1.00 59.81 C ATOM 976 C GLN A 70 4.375 11.850 8.302 1.00 57.95 C ATOM 977 O GLN A 70 4.132 11.164 7.316 1.00 54.06 O ATOM 978 CB GLN A 70 6.577 10.683 8.709 1.00 61.08 C ATOM 979 HA GLN A 70 5.767 12.197 9.934 1.00 0.00 H ATOM 980 HB2 GLN A 70 7.241 10.313 9.490 1.00 0.00 H ATOM 981 HB3 GLN A 70 6.239 9.850 8.093 1.00 0.00 H ATOM 982 H GLN A 70 4.432 9.484 9.851 1.00 0.00 H ATOM 983 N PHE A 71 3.777 13.015 8.537 1.00 56.08 N ATOM 984 CA PHE A 71 2.879 13.624 7.545 1.00 49.84 C ATOM 985 C PHE A 71 3.657 14.274 6.411 1.00 46.41 C ATOM 986 O PHE A 71 4.782 14.704 6.590 1.00 45.27 O ATOM 987 CB PHE A 71 2.015 14.697 8.188 1.00 49.48 C ATOM 988 CG PHE A 71 1.029 14.172 9.187 1.00 49.52 C ATOM 989 CD1 PHE A 71 -0.142 13.609 8.760 1.00 56.12 C ATOM 990 CD2 PHE A 71 1.251 14.282 10.534 1.00 47.01 C ATOM 991 CE1 PHE A 71 -1.074 13.151 9.666 1.00 54.96 C ATOM 992 CE2 PHE A 71 0.324 13.834 11.448 1.00 48.36 C ATOM 993 CZ PHE A 71 -0.838 13.265 11.013 1.00 51.73 C ATOM 994 HA PHE A 71 2.259 12.819 7.151 1.00 0.00 H ATOM 995 HB2 PHE A 71 2.670 15.407 8.694 1.00 0.00 H ATOM 996 HB3 PHE A 71 1.464 15.211 7.400 1.00 0.00 H ATOM 997 HD2 PHE A 71 2.178 14.732 10.889 1.00 0.00 H ATOM 998 HE2 PHE A 71 0.517 13.933 12.516 1.00 0.00 H ATOM 999 HZ PHE A 71 -1.574 12.903 11.731 1.00 0.00 H ATOM 1000 HE1 PHE A 71 -2.000 12.698 9.312 1.00 0.00 H ATOM 1001 HD1 PHE A 71 -0.340 13.522 7.692 1.00 0.00 H ATOM 1002 H PHE A 71 3.948 13.504 9.439 1.00 0.00 H ATOM 1003 N TYR A 72 3.039 14.330 5.242 1.00 49.56 N ATOM 1004 CA TYR A 72 3.511 15.154 4.124 1.00 52.80 C ATOM 1005 C TYR A 72 2.693 16.427 4.075 1.00 52.83 C ATOM 1006 O TYR A 72 1.502 16.394 4.390 1.00 52.78 O ATOM 1007 CB TYR A 72 3.328 14.434 2.802 1.00 54.97 C ATOM 1008 CG TYR A 72 4.011 13.094 2.736 1.00 52.43 C ATOM 1009 CD1 TYR A 72 3.375 11.965 3.228 1.00 57.00 C ATOM 1010 CD2 TYR A 72 5.252 12.941 2.151 1.00 47.53 C ATOM 1011 CE1 TYR A 72 3.970 10.722 3.154 1.00 60.61 C ATOM 1012 CE2 TYR A 72 5.858 11.700 2.068 1.00 49.38 C ATOM 1013 CZ TYR A 72 5.212 10.593 2.566 1.00 57.32 C ATOM 1014 OH TYR A 72 5.778 9.347 2.526 1.00 58.91 O ATOM 1015 HA TYR A 72 4.569 15.365 4.277 1.00 0.00 H ATOM 1016 HB3 TYR A 72 3.731 15.064 2.009 1.00 0.00 H ATOM 1017 HB2 TYR A 72 2.261 14.284 2.638 1.00 0.00 H ATOM 1018 HD2 TYR A 72 5.764 13.814 1.747 1.00 0.00 H ATOM 1019 HE2 TYR A 72 6.842 11.600 1.610 1.00 0.00 H ATOM 1020 HE1 TYR A 72 3.462 9.846 3.558 1.00 0.00 H ATOM 1021 HD1 TYR A 72 2.388 12.061 3.681 1.00 0.00 H ATOM 1022 HH TYR A 72 5.157 8.691 2.932 1.00 0.00 H ATOM 1023 H TYR A 72 2.177 13.763 5.110 1.00 0.00 H ATOM 1024 N GLU A 73 3.327 17.536 3.705 1.00 61.05 N ATOM 1025 CA GLU A 73 2.645 18.836 3.694 1.00 72.42 C ATOM 1026 C GLU A 73 1.666 18.880 2.541 1.00 69.90 C ATOM 1027 O GLU A 73 2.049 18.712 1.389 1.00 65.73 O ATOM 1028 CB GLU A 73 3.630 20.016 3.594 1.00 81.28 C ATOM 1029 HA GLU A 73 2.116 18.941 4.642 1.00 0.00 H ATOM 1030 HB2 GLU A 73 4.306 19.997 4.449 1.00 0.00 H ATOM 1031 HB3 GLU A 73 4.206 19.930 2.673 1.00 0.00 H ATOM 1032 H GLU A 73 4.325 17.481 3.418 1.00 0.00 H ATOM 1033 N THR A 74 0.403 19.102 2.873 1.00 71.52 N ATOM 1034 CA THR A 74 -0.632 19.289 1.876 1.00 69.83 C ATOM 1035 C THR A 74 -1.009 20.762 1.793 1.00 73.44 C ATOM 1036 O THR A 74 -0.597 21.587 2.609 1.00 64.93 O ATOM 1037 CB THR A 74 -1.892 18.495 2.229 1.00 64.29 C ATOM 1038 OG1 THR A 74 -2.368 18.886 3.520 1.00 65.43 O ATOM 1039 CG2 THR A 74 -1.596 17.030 2.253 1.00 66.47 C ATOM 1040 HA THR A 74 -0.239 18.936 0.923 1.00 0.00 H ATOM 1041 HB THR A 74 -2.649 18.702 1.473 1.00 0.00 H ATOM 1042 HG1 THR A 74 -3.182 18.368 3.741 1.00 0.00 H ATOM 1043 HG23 THR A 74 -1.232 16.718 1.274 1.00 0.00 H ATOM 1044 HG21 THR A 74 -0.835 16.827 3.007 1.00 0.00 H ATOM 1045 HG22 THR A 74 -2.506 16.481 2.496 1.00 0.00 H ATOM 1046 H THR A 74 0.146 19.143 3.880 1.00 0.00 H ATOM 1047 N ALA A 75 -1.798 21.073 0.787 1.00 79.99 N ATOM 1048 CA ALA A 75 -2.393 22.385 0.676 1.00 87.64 C ATOM 1049 C ALA A 75 -3.591 22.485 1.635 1.00 88.74 C ATOM 1050 O ALA A 75 -3.622 23.344 2.509 1.00 92.92 O ATOM 1051 CB ALA A 75 -2.826 22.636 -0.763 1.00 88.37 C ATOM 1052 HA ALA A 75 -1.662 23.146 0.950 1.00 0.00 H ATOM 1053 HB1 ALA A 75 -1.957 22.577 -1.418 1.00 0.00 H ATOM 1054 HB2 ALA A 75 -3.556 21.883 -1.058 1.00 0.00 H ATOM 1055 HB3 ALA A 75 -3.274 23.627 -0.839 1.00 0.00 H ATOM 1056 H ALA A 75 -1.997 20.360 0.057 1.00 0.00 H ATOM 1057 N ASP A 76 -4.578 21.605 1.454 1.00 82.48 N ATOM 1058 CA ASP A 76 -5.806 21.620 2.246 1.00 66.91 C ATOM 1059 C ASP A 76 -5.502 21.216 3.671 1.00 57.64 C ATOM 1060 O ASP A 76 -4.838 20.221 3.882 1.00 55.21 O ATOM 1061 CB ASP A 76 -6.807 20.632 1.633 1.00 67.05 C ATOM 1062 CG ASP A 76 -8.191 20.730 2.240 1.00 71.11 C ATOM 1063 OD1 ASP A 76 -8.308 20.780 3.472 1.00 64.30 O ATOM 1064 OD2 ASP A 76 -9.177 20.756 1.472 1.00 78.70 O ATOM 1065 HA ASP A 76 -6.230 22.624 2.245 1.00 0.00 H ATOM 1066 HB2 ASP A 76 -6.882 20.833 0.564 1.00 0.00 H ATOM 1067 HB3 ASP A 76 -6.433 19.620 1.786 1.00 0.00 H ATOM 1068 H ASP A 76 -4.469 20.878 0.718 1.00 0.00 H ATOM 1069 N PRO A 77 -5.962 22.002 4.655 1.00 58.84 N ATOM 1070 CA PRO A 77 -5.765 21.611 6.039 1.00 63.32 C ATOM 1071 C PRO A 77 -6.698 20.483 6.470 1.00 67.76 C ATOM 1072 O PRO A 77 -6.451 19.852 7.507 1.00 69.95 O ATOM 1073 CB PRO A 77 -6.094 22.886 6.823 1.00 61.32 C ATOM 1074 CG PRO A 77 -7.044 23.621 5.974 1.00 62.51 C ATOM 1075 CD PRO A 77 -6.814 23.199 4.546 1.00 64.72 C ATOM 1076 HA PRO A 77 -4.757 21.231 6.206 1.00 0.00 H ATOM 1077 HD3 PRO A 77 -7.758 22.959 4.057 1.00 0.00 H ATOM 1078 HD2 PRO A 77 -6.307 23.985 3.987 1.00 0.00 H ATOM 1079 HG3 PRO A 77 -6.878 24.694 6.075 1.00 0.00 H ATOM 1080 HG2 PRO A 77 -8.066 23.384 6.270 1.00 0.00 H ATOM 1081 HB2 PRO A 77 -6.549 22.639 7.782 1.00 0.00 H ATOM 1082 HB3 PRO A 77 -5.193 23.476 6.990 1.00 0.00 H ATOM 1083 N ASP A 78 -7.746 20.239 5.677 1.00 67.37 N ATOM 1084 CA ASP A 78 -8.682 19.134 5.903 1.00 66.13 C ATOM 1085 C ASP A 78 -8.287 17.816 5.200 1.00 59.94 C ATOM 1086 O ASP A 78 -9.020 16.833 5.268 1.00 53.73 O ATOM 1087 CB ASP A 78 -10.086 19.548 5.463 1.00 72.65 C ATOM 1088 CG ASP A 78 -10.807 20.375 6.496 1.00 82.64 C ATOM 1089 OD1 ASP A 78 -10.442 20.325 7.697 1.00 90.06 O ATOM 1090 OD2 ASP A 78 -11.779 21.055 6.097 1.00 92.80 O ATOM 1091 HA ASP A 78 -8.653 18.929 6.973 1.00 0.00 H ATOM 1092 HB2 ASP A 78 -10.005 20.131 4.546 1.00 0.00 H ATOM 1093 HB3 ASP A 78 -10.669 18.648 5.270 1.00 0.00 H ATOM 1094 H ASP A 78 -7.905 20.863 4.860 1.00 0.00 H ATOM 1095 N LEU A 79 -7.128 17.803 4.534 1.00 59.05 N ATOM 1096 CA LEU A 79 -6.528 16.581 3.985 1.00 48.64 C ATOM 1097 C LEU A 79 -5.185 16.346 4.643 1.00 50.40 C ATOM 1098 O LEU A 79 -4.342 17.261 4.691 1.00 51.63 O ATOM 1099 CB LEU A 79 -6.314 16.741 2.484 1.00 41.90 C ATOM 1100 CG LEU A 79 -5.500 15.670 1.802 1.00 43.24 C ATOM 1101 CD1 LEU A 79 -6.087 14.281 2.035 1.00 44.03 C ATOM 1102 CD2 LEU A 79 -5.392 15.985 0.317 1.00 42.90 C ATOM 1103 HA LEU A 79 -7.194 15.739 4.174 1.00 0.00 H ATOM 1104 HB2 LEU A 79 -7.295 16.764 2.010 1.00 0.00 H ATOM 1105 HB3 LEU A 79 -5.811 17.694 2.321 1.00 0.00 H ATOM 1106 HG LEU A 79 -4.500 15.662 2.236 1.00 0.00 H ATOM 1107 HD21 LEU A 79 -6.390 16.018 -0.120 1.00 0.00 H ATOM 1108 HD22 LEU A 79 -4.905 16.951 0.186 1.00 0.00 H ATOM 1109 HD23 LEU A 79 -4.804 15.211 -0.175 1.00 0.00 H ATOM 1110 HD11 LEU A 79 -6.105 14.070 3.104 1.00 0.00 H ATOM 1111 HD12 LEU A 79 -7.102 14.246 1.639 1.00 0.00 H ATOM 1112 HD13 LEU A 79 -5.472 13.538 1.527 1.00 0.00 H ATOM 1113 H LEU A 79 -6.626 18.704 4.398 1.00 0.00 H ATOM 1114 N ALA A 80 -4.988 15.133 5.167 1.00 50.23 N ATOM 1115 CA ALA A 80 -3.680 14.700 5.670 1.00 47.80 C ATOM 1116 C ALA A 80 -3.273 13.430 4.959 1.00 52.49 C ATOM 1117 O ALA A 80 -4.082 12.509 4.795 1.00 51.79 O ATOM 1118 CB ALA A 80 -3.725 14.480 7.158 1.00 41.99 C ATOM 1119 HA ALA A 80 -2.944 15.480 5.472 1.00 0.00 H ATOM 1120 HB1 ALA A 80 -4.002 15.411 7.653 1.00 0.00 H ATOM 1121 HB2 ALA A 80 -4.462 13.711 7.388 1.00 0.00 H ATOM 1122 HB3 ALA A 80 -2.743 14.160 7.506 1.00 0.00 H ATOM 1123 H ALA A 80 -5.790 14.473 5.220 1.00 0.00 H ATOM 1124 N ILE A 81 -2.021 13.393 4.509 1.00 56.84 N ATOM 1125 CA ILE A 81 -1.424 12.182 3.950 1.00 60.08 C ATOM 1126 C ILE A 81 -0.167 11.916 4.756 1.00 61.59 C ATOM 1127 O ILE A 81 0.640 12.809 4.901 1.00 61.79 O ATOM 1128 CB ILE A 81 -1.061 12.360 2.477 1.00 54.73 C ATOM 1129 CG1 ILE A 81 -2.271 12.929 1.732 1.00 57.21 C ATOM 1130 CG2 ILE A 81 -0.625 11.034 1.872 1.00 50.40 C ATOM 1131 CD1 ILE A 81 -2.138 12.931 0.224 1.00 59.46 C ATOM 1132 HA ILE A 81 -2.131 11.354 4.004 1.00 0.00 H ATOM 1133 HB ILE A 81 -0.226 13.054 2.387 1.00 0.00 H ATOM 1134 HG12 ILE A 81 -3.144 12.333 1.996 1.00 0.00 H ATOM 1135 HG13 ILE A 81 -2.421 13.957 2.062 1.00 0.00 H ATOM 1136 HD11 ILE A 81 -1.277 13.534 -0.063 1.00 0.00 H ATOM 1137 HD12 ILE A 81 -2.001 11.909 -0.129 1.00 0.00 H ATOM 1138 HD13 ILE A 81 -3.041 13.351 -0.219 1.00 0.00 H ATOM 1139 HG21 ILE A 81 0.246 10.660 2.409 1.00 0.00 H ATOM 1140 HG22 ILE A 81 -1.440 10.314 1.952 1.00 0.00 H ATOM 1141 HG23 ILE A 81 -0.371 11.181 0.822 1.00 0.00 H ATOM 1142 H ILE A 81 -1.446 14.258 4.557 1.00 0.00 H ATOM 1143 N GLY A 82 -0.019 10.707 5.302 1.00 60.84 N ATOM 1144 CA GLY A 82 1.137 10.417 6.133 1.00 57.97 C ATOM 1145 C GLY A 82 1.454 8.938 6.226 1.00 55.94 C ATOM 1146 O GLY A 82 0.592 8.095 6.013 1.00 53.14 O ATOM 1147 HA3 GLY A 82 0.944 10.793 7.138 1.00 0.00 H ATOM 1148 HA2 GLY A 82 2.002 10.931 5.714 1.00 0.00 H ATOM 1149 H GLY A 82 -0.733 9.970 5.132 1.00 0.00 H ATOM 1150 N GLU A 83 2.699 8.643 6.586 1.00 52.74 N ATOM 1151 CA GLU A 83 3.159 7.285 6.816 1.00 45.90 C ATOM 1152 C GLU A 83 3.473 7.094 8.283 1.00 48.59 C ATOM 1153 O GLU A 83 3.941 8.014 8.958 1.00 50.64 O ATOM 1154 CB GLU A 83 4.422 7.006 5.993 1.00 44.58 C ATOM 1155 CG GLU A 83 4.195 7.089 4.521 1.00 47.26 C ATOM 1156 CD GLU A 83 5.316 6.451 3.715 1.00 48.09 C ATOM 1157 OE1 GLU A 83 5.764 5.311 4.061 1.00 47.01 O ATOM 1158 OE2 GLU A 83 5.718 7.085 2.708 1.00 44.52 O ATOM 1159 HA GLU A 83 2.372 6.594 6.513 1.00 0.00 H ATOM 1160 HB2 GLU A 83 5.183 7.736 6.268 1.00 0.00 H ATOM 1161 HB3 GLU A 83 4.778 6.004 6.233 1.00 0.00 H ATOM 1162 HG2 GLU A 83 3.261 6.580 4.283 1.00 0.00 H ATOM 1163 HG3 GLU A 83 4.117 8.139 4.239 1.00 0.00 H ATOM 1164 H GLU A 83 3.376 9.422 6.709 1.00 0.00 H ATOM 1165 N PHE A 84 3.211 5.894 8.782 1.00 49.65 N ATOM 1166 CA PHE A 84 3.599 5.532 10.138 1.00 50.94 C ATOM 1167 C PHE A 84 3.629 4.027 10.325 1.00 51.64 C ATOM 1168 O PHE A 84 3.088 3.281 9.502 1.00 55.73 O ATOM 1169 CB PHE A 84 2.646 6.149 11.161 1.00 51.26 C ATOM 1170 CG PHE A 84 1.215 5.697 11.017 1.00 50.69 C ATOM 1171 CD1 PHE A 84 0.437 6.156 9.984 1.00 48.32 C ATOM 1172 CD2 PHE A 84 0.647 4.832 11.943 1.00 51.90 C ATOM 1173 CE1 PHE A 84 -0.875 5.775 9.879 1.00 48.06 C ATOM 1174 CE2 PHE A 84 -0.668 4.438 11.834 1.00 47.92 C ATOM 1175 CZ PHE A 84 -1.431 4.916 10.798 1.00 47.73 C ATOM 1176 HA PHE A 84 4.603 5.924 10.298 1.00 0.00 H ATOM 1177 HB2 PHE A 84 2.992 5.879 12.159 1.00 0.00 H ATOM 1178 HB3 PHE A 84 2.676 7.233 11.048 1.00 0.00 H ATOM 1179 HD2 PHE A 84 1.252 4.459 12.769 1.00 0.00 H ATOM 1180 HE2 PHE A 84 -1.099 3.753 12.564 1.00 0.00 H ATOM 1181 HZ PHE A 84 -2.475 4.616 10.704 1.00 0.00 H ATOM 1182 HE1 PHE A 84 -1.484 6.156 9.059 1.00 0.00 H ATOM 1183 HD1 PHE A 84 0.866 6.829 9.241 1.00 0.00 H ATOM 1184 H PHE A 84 2.717 5.195 8.191 1.00 0.00 H ATOM 1185 N HIS A 85 4.221 3.600 11.440 1.00 49.55 N ATOM 1186 CA HIS A 85 4.359 2.195 11.752 1.00 51.44 C ATOM 1187 C HIS A 85 3.488 1.853 12.955 1.00 53.30 C ATOM 1188 O HIS A 85 3.193 2.714 13.786 1.00 44.84 O ATOM 1189 CB HIS A 85 5.828 1.887 12.024 1.00 54.69 C ATOM 1190 CG HIS A 85 6.096 0.489 12.487 1.00 58.51 C ATOM 1191 ND1 HIS A 85 6.677 -0.460 11.672 1.00 65.23 N ATOM 1192 CD2 HIS A 85 5.885 -0.116 13.681 1.00 56.35 C ATOM 1193 CE1 HIS A 85 6.791 -1.598 12.336 1.00 67.68 C ATOM 1194 NE2 HIS A 85 6.319 -1.414 13.557 1.00 62.79 N ATOM 1195 HA HIS A 85 4.028 1.585 10.911 1.00 0.00 H ATOM 1196 HB2 HIS A 85 6.387 2.054 11.103 1.00 0.00 H ATOM 1197 HB3 HIS A 85 6.183 2.574 12.792 1.00 0.00 H ATOM 1198 HD2 HIS A 85 5.453 0.341 14.571 1.00 0.00 H ATOM 1199 HE1 HIS A 85 7.203 -2.528 11.944 1.00 0.00 H ATOM 1200 H HIS A 85 4.597 4.302 12.109 1.00 0.00 H ATOM 1201 N GLY A 86 3.074 0.586 13.039 1.00 52.60 N ATOM 1202 CA GLY A 86 2.345 0.102 14.203 1.00 51.61 C ATOM 1203 C GLY A 86 2.916 -1.209 14.658 1.00 53.75 C ATOM 1204 O GLY A 86 3.295 -2.058 13.836 1.00 52.67 O ATOM 1205 HA3 GLY A 86 1.295 -0.032 13.942 1.00 0.00 H ATOM 1206 HA2 GLY A 86 2.427 0.831 15.009 1.00 0.00 H ATOM 1207 H GLY A 86 3.277 -0.069 12.257 1.00 0.00 H ATOM 1208 N ASP A 87 3.030 -1.370 15.971 1.00 58.90 N ATOM 1209 CA ASP A 87 3.415 -2.657 16.548 1.00 62.33 C ATOM 1210 C ASP A 87 2.274 -3.094 17.446 1.00 60.35 C ATOM 1211 O ASP A 87 1.726 -2.293 18.214 1.00 60.38 O ATOM 1212 CB ASP A 87 4.752 -2.584 17.312 1.00 63.53 C ATOM 1213 CG ASP A 87 5.889 -2.132 16.422 1.00 66.75 C ATOM 1214 OD1 ASP A 87 6.284 -2.924 15.525 1.00 70.50 O ATOM 1215 OD2 ASP A 87 6.365 -0.983 16.577 1.00 70.76 O ATOM 1216 HA ASP A 87 3.585 -3.387 15.757 1.00 0.00 H ATOM 1217 HB2 ASP A 87 4.648 -1.879 18.137 1.00 0.00 H ATOM 1218 HB3 ASP A 87 4.986 -3.572 17.708 1.00 0.00 H ATOM 1219 H ASP A 87 2.842 -0.565 16.602 1.00 0.00 H ATOM 1220 N GLY A 88 1.912 -4.364 17.328 1.00 53.19 N ATOM 1221 CA GLY A 88 0.825 -4.899 18.104 1.00 53.54 C ATOM 1222 C GLY A 88 1.260 -6.127 18.852 1.00 53.11 C ATOM 1223 O GLY A 88 2.212 -6.809 18.460 1.00 55.49 O ATOM 1224 HA3 GLY A 88 0.003 -5.158 17.437 1.00 0.00 H ATOM 1225 HA2 GLY A 88 0.489 -4.146 18.817 1.00 0.00 H ATOM 1226 H GLY A 88 2.421 -4.982 16.665 1.00 0.00 H ATOM 1227 N VAL A 89 0.561 -6.387 19.948 1.00 51.85 N ATOM 1228 CA VAL A 89 0.793 -7.525 20.751 1.00 56.64 C ATOM 1229 C VAL A 89 -0.581 -8.207 20.954 1.00 59.67 C ATOM 1230 O VAL A 89 -1.438 -7.674 21.661 1.00 59.79 O ATOM 1231 CB VAL A 89 1.438 -7.010 22.066 1.00 46.10 C ATOM 1232 HA VAL A 89 1.468 -8.263 20.317 1.00 0.00 H ATOM 1233 HB VAL A 89 2.372 -6.498 21.835 1.00 0.00 H ATOM 1234 H VAL A 89 -0.190 -5.725 20.228 1.00 0.00 H ATOM 1235 N LEU A 90 -0.790 -9.373 20.322 1.00 64.11 N ATOM 1236 CA LEU A 90 -2.085 -10.093 20.383 1.00 68.80 C ATOM 1237 C LEU A 90 -2.363 -10.565 21.810 1.00 74.34 C ATOM 1238 O LEU A 90 -1.482 -11.156 22.463 1.00 82.17 O ATOM 1239 CB LEU A 90 -2.133 -11.266 19.384 1.00 64.37 C ATOM 1240 HA LEU A 90 -2.872 -9.397 20.092 1.00 0.00 H ATOM 1241 HB2 LEU A 90 -1.999 -10.885 18.372 1.00 0.00 H ATOM 1242 HB3 LEU A 90 -1.336 -11.972 19.616 1.00 0.00 H ATOM 1243 H LEU A 90 -0.013 -9.787 19.768 1.00 0.00 H ATOM 1244 N THR A 91 -3.564 -10.261 22.308 1.00 75.68 N ATOM 1245 CA THR A 91 -3.956 -10.620 23.690 1.00 73.83 C ATOM 1246 C THR A 91 -4.002 -12.135 23.918 1.00 81.63 C ATOM 1247 O THR A 91 -4.025 -12.583 25.060 1.00 88.68 O ATOM 1248 CB THR A 91 -5.310 -9.994 24.131 1.00 73.81 C ATOM 1249 OG1 THR A 91 -6.386 -10.491 23.329 1.00 74.67 O ATOM 1250 CG2 THR A 91 -5.288 -8.467 24.031 1.00 75.81 C ATOM 1251 HA THR A 91 -3.168 -10.194 24.311 1.00 0.00 H ATOM 1252 HB THR A 91 -5.462 -10.278 25.172 1.00 0.00 H ATOM 1253 HG1 THR A 91 -7.236 -10.080 23.627 1.00 0.00 H ATOM 1254 HG23 THR A 91 -4.472 -8.076 24.638 1.00 0.00 H ATOM 1255 HG21 THR A 91 -5.141 -8.174 22.991 1.00 0.00 H ATOM 1256 HG22 THR A 91 -6.235 -8.067 24.392 1.00 0.00 H ATOM 1257 H THR A 91 -4.246 -9.756 21.706 1.00 0.00 H ATOM 1258 N ALA A 92 -3.995 -12.918 22.832 1.00 89.77 N ATOM 1259 CA ALA A 92 -3.898 -14.403 22.874 1.00 93.03 C ATOM 1260 C ALA A 92 -3.325 -15.075 24.148 1.00 90.81 C ATOM 1261 O ALA A 92 -4.049 -15.801 24.804 1.00 98.92 O ATOM 1262 CB ALA A 92 -3.133 -14.912 21.647 1.00 95.37 C ATOM 1263 HA ALA A 92 -4.945 -14.705 22.883 1.00 0.00 H ATOM 1264 HB1 ALA A 92 -3.660 -14.611 20.741 1.00 0.00 H ATOM 1265 HB2 ALA A 92 -2.130 -14.486 21.643 1.00 0.00 H ATOM 1266 HB3 ALA A 92 -3.067 -15.999 21.687 1.00 0.00 H ATOM 1267 H ALA A 92 -4.061 -12.460 21.901 1.00 0.00 H ATOM 1268 N SER A 93 -2.070 -14.833 24.521 1.00 89.57 N ATOM 1269 CA SER A 93 -1.268 -13.740 23.996 1.00 98.62 C ATOM 1270 C SER A 93 -0.062 -14.204 23.203 1.00 92.35 C ATOM 1271 O SER A 93 -0.187 -14.983 22.246 1.00 88.15 O ATOM 1272 CB SER A 93 -0.850 -12.793 25.141 1.00 97.85 C ATOM 1273 HA SER A 93 -1.896 -13.198 23.289 1.00 0.00 H ATOM 1274 HB2 SER A 93 -1.742 -12.387 25.619 1.00 0.00 H ATOM 1275 HB3 SER A 93 -0.264 -13.348 25.874 1.00 0.00 H ATOM 1276 H SER A 93 -1.639 -15.462 25.228 1.00 0.00 H ATOM 1277 N GLY A 94 1.092 -13.679 23.600 1.00 88.82 N ATOM 1278 CA GLY A 94 2.275 -13.674 22.763 1.00 94.78 C ATOM 1279 C GLY A 94 2.043 -12.779 21.555 1.00 93.55 C ATOM 1280 O GLY A 94 1.782 -11.582 21.696 1.00 80.78 O ATOM 1281 HA3 GLY A 94 2.486 -14.689 22.427 1.00 0.00 H ATOM 1282 HA2 GLY A 94 3.123 -13.298 23.336 1.00 0.00 H ATOM 1283 H GLY A 94 1.149 -13.255 24.548 1.00 0.00 H ATOM 1284 N GLY A 95 2.138 -13.382 20.373 1.00 95.39 N ATOM 1285 CA GLY A 95 1.941 -12.715 19.084 1.00 93.13 C ATOM 1286 C GLY A 95 2.261 -11.238 18.985 1.00 84.93 C ATOM 1287 O GLY A 95 1.415 -10.396 19.282 1.00 77.85 O ATOM 1288 HA3 GLY A 95 0.892 -12.837 18.814 1.00 0.00 H ATOM 1289 HA2 GLY A 95 2.565 -13.231 18.354 1.00 0.00 H ATOM 1290 H GLY A 95 2.368 -14.396 20.364 1.00 0.00 H ATOM 1291 N LYS A 96 3.488 -10.939 18.568 1.00 77.07 N ATOM 1292 CA LYS A 96 3.871 -9.601 18.173 1.00 70.12 C ATOM 1293 C LYS A 96 3.450 -9.476 16.697 1.00 64.99 C ATOM 1294 O LYS A 96 3.607 -10.421 15.936 1.00 57.47 O ATOM 1295 CB LYS A 96 5.380 -9.403 18.397 1.00 64.81 C ATOM 1296 HA LYS A 96 3.388 -8.821 18.762 1.00 0.00 H ATOM 1297 HB2 LYS A 96 5.611 -9.548 19.452 1.00 0.00 H ATOM 1298 HB3 LYS A 96 5.933 -10.128 17.800 1.00 0.00 H ATOM 1299 H LYS A 96 4.200 -11.696 18.524 1.00 0.00 H ATOM 1300 N LEU A 97 2.867 -8.337 16.315 1.00 67.57 N ATOM 1301 CA LEU A 97 2.398 -8.102 14.925 1.00 63.64 C ATOM 1302 C LEU A 97 2.775 -6.694 14.456 1.00 60.04 C ATOM 1303 O LEU A 97 2.593 -5.718 15.197 1.00 53.79 O ATOM 1304 CB LEU A 97 0.874 -8.281 14.852 1.00 60.58 C ATOM 1305 HA LEU A 97 2.882 -8.827 14.271 1.00 0.00 H ATOM 1306 HB2 LEU A 97 0.614 -9.295 15.154 1.00 0.00 H ATOM 1307 HB3 LEU A 97 0.393 -7.567 15.521 1.00 0.00 H ATOM 1308 H LEU A 97 2.736 -7.583 17.020 1.00 0.00 H ATOM 1309 N ALA A 98 3.321 -6.589 13.249 1.00 60.54 N ATOM 1310 CA ALA A 98 3.888 -5.310 12.775 1.00 70.49 C ATOM 1311 C ALA A 98 3.274 -4.791 11.487 1.00 69.02 C ATOM 1312 O ALA A 98 3.009 -5.549 10.566 1.00 78.30 O ATOM 1313 CB ALA A 98 5.387 -5.447 12.569 1.00 81.50 C ATOM 1314 HA ALA A 98 3.654 -4.586 13.556 1.00 0.00 H ATOM 1315 HB1 ALA A 98 5.859 -5.720 13.513 1.00 0.00 H ATOM 1316 HB2 ALA A 98 5.581 -6.222 11.827 1.00 0.00 H ATOM 1317 HB3 ALA A 98 5.793 -4.498 12.220 1.00 0.00 H ATOM 1318 H ALA A 98 3.350 -7.422 12.627 1.00 0.00 H ATOM 1319 N TYR A 99 3.121 -3.476 11.408 1.00 66.86 N ATOM 1320 CA TYR A 99 2.488 -2.828 10.261 1.00 61.39 C ATOM 1321 C TYR A 99 3.244 -1.576 9.864 1.00 59.30 C ATOM 1322 O TYR A 99 3.725 -0.812 10.724 1.00 54.32 O ATOM 1323 CB TYR A 99 1.029 -2.450 10.596 1.00 61.24 C ATOM 1324 CG TYR A 99 0.223 -3.635 11.044 1.00 56.08 C ATOM 1325 CD1 TYR A 99 -0.078 -4.642 10.158 1.00 55.65 C ATOM 1326 CD2 TYR A 99 -0.171 -3.780 12.359 1.00 54.25 C ATOM 1327 CE1 TYR A 99 -0.770 -5.758 10.565 1.00 53.86 C ATOM 1328 CE2 TYR A 99 -0.872 -4.901 12.779 1.00 54.34 C ATOM 1329 CZ TYR A 99 -1.169 -5.889 11.868 1.00 53.09 C ATOM 1330 OH TYR A 99 -1.884 -7.012 12.242 1.00 49.55 O ATOM 1331 HA TYR A 99 2.503 -3.533 9.430 1.00 0.00 H ATOM 1332 HB3 TYR A 99 0.564 -2.025 9.707 1.00 0.00 H ATOM 1333 HB2 TYR A 99 1.033 -1.707 11.393 1.00 0.00 H ATOM 1334 HD2 TYR A 99 0.073 -3.000 13.080 1.00 0.00 H ATOM 1335 HE2 TYR A 99 -1.184 -4.998 13.819 1.00 0.00 H ATOM 1336 HE1 TYR A 99 -1.002 -6.543 9.846 1.00 0.00 H ATOM 1337 HD1 TYR A 99 0.236 -4.554 9.118 1.00 0.00 H ATOM 1338 HH TYR A 99 -1.999 -7.605 11.458 1.00 0.00 H ATOM 1339 H TYR A 99 3.464 -2.884 12.191 1.00 0.00 H ATOM 1340 N ASP A 100 3.361 -1.385 8.558 1.00 58.21 N ATOM 1341 CA ASP A 100 3.904 -0.156 7.994 1.00 63.08 C ATOM 1342 C ASP A 100 2.852 0.493 7.097 1.00 57.48 C ATOM 1343 O ASP A 100 2.594 0.029 5.977 1.00 56.10 O ATOM 1344 CB ASP A 100 5.198 -0.457 7.231 1.00 70.68 C ATOM 1345 CG ASP A 100 6.291 -0.993 8.145 1.00 80.56 C ATOM 1346 OD1 ASP A 100 6.554 -0.358 9.188 1.00 69.17 O ATOM 1347 OD2 ASP A 100 6.871 -2.056 7.834 1.00 92.52 O ATOM 1348 HA ASP A 100 4.151 0.546 8.791 1.00 0.00 H ATOM 1349 HB2 ASP A 100 4.988 -1.200 6.461 1.00 0.00 H ATOM 1350 HB3 ASP A 100 5.551 0.461 6.762 1.00 0.00 H ATOM 1351 H ASP A 100 3.054 -2.140 7.912 1.00 0.00 H ATOM 1352 N TYR A 101 2.261 1.575 7.599 1.00 48.65 N ATOM 1353 CA TYR A 101 1.122 2.205 6.961 1.00 46.14 C ATOM 1354 C TYR A 101 1.483 3.389 6.053 1.00 45.67 C ATOM 1355 O TYR A 101 2.602 3.930 6.102 1.00 44.30 O ATOM 1356 CB TYR A 101 0.186 2.762 8.006 1.00 47.90 C ATOM 1357 CG TYR A 101 -0.256 1.808 9.068 1.00 51.81 C ATOM 1358 CD1 TYR A 101 -1.235 0.888 8.809 1.00 51.75 C ATOM 1359 CD2 TYR A 101 0.269 1.874 10.369 1.00 59.10 C ATOM 1360 CE1 TYR A 101 -1.666 0.018 9.789 1.00 58.51 C ATOM 1361 CE2 TYR A 101 -0.153 1.005 11.364 1.00 58.95 C ATOM 1362 CZ TYR A 101 -1.120 0.077 11.068 1.00 59.93 C ATOM 1363 OH TYR A 101 -1.558 -0.777 12.042 1.00 55.19 O ATOM 1364 HA TYR A 101 0.674 1.416 6.356 1.00 0.00 H ATOM 1365 HB3 TYR A 101 -0.705 3.128 7.495 1.00 0.00 H ATOM 1366 HB2 TYR A 101 0.691 3.595 8.495 1.00 0.00 H ATOM 1367 HD2 TYR A 101 1.024 2.624 10.602 1.00 0.00 H ATOM 1368 HE2 TYR A 101 0.276 1.058 12.365 1.00 0.00 H ATOM 1369 HE1 TYR A 101 -2.437 -0.718 9.561 1.00 0.00 H ATOM 1370 HD1 TYR A 101 -1.680 0.842 7.815 1.00 0.00 H ATOM 1371 HH TYR A 101 -2.250 -1.377 11.666 1.00 0.00 H ATOM 1372 H TYR A 101 2.630 1.983 8.481 1.00 0.00 H ATOM 1373 N ILE A 102 0.540 3.711 5.164 1.00 40.95 N ATOM 1374 CA ILE A 102 0.441 5.011 4.524 1.00 40.05 C ATOM 1375 C ILE A 102 -1.038 5.246 4.362 1.00 42.58 C ATOM 1376 O ILE A 102 -1.761 4.353 3.940 1.00 44.52 O ATOM 1377 CB ILE A 102 1.144 5.117 3.152 1.00 40.07 C ATOM 1378 CG1 ILE A 102 0.884 6.502 2.541 1.00 38.39 C ATOM 1379 CG2 ILE A 102 0.685 4.022 2.196 1.00 40.65 C ATOM 1380 HA ILE A 102 0.949 5.754 5.139 1.00 0.00 H ATOM 1381 HB ILE A 102 2.214 4.984 3.311 1.00 0.00 H ATOM 1382 HG12 ILE A 102 -0.189 6.644 2.409 1.00 0.00 H ATOM 1383 HG13 ILE A 102 1.275 7.271 3.208 1.00 0.00 H ATOM 1384 HG21 ILE A 102 0.915 3.047 2.625 1.00 0.00 H ATOM 1385 HG22 ILE A 102 -0.390 4.106 2.038 1.00 0.00 H ATOM 1386 HG23 ILE A 102 1.203 4.133 1.243 1.00 0.00 H ATOM 1387 H ILE A 102 -0.165 2.988 4.915 1.00 0.00 H ATOM 1388 N ALA A 103 -1.488 6.442 4.704 1.00 48.16 N ATOM 1389 CA ALA A 103 -2.914 6.716 4.752 1.00 49.90 C ATOM 1390 C ALA A 103 -3.282 8.074 4.166 1.00 56.71 C ATOM 1391 O ALA A 103 -2.485 9.026 4.211 1.00 67.09 O ATOM 1392 CB ALA A 103 -3.414 6.617 6.183 1.00 46.05 C ATOM 1393 HA ALA A 103 -3.400 5.963 4.132 1.00 0.00 H ATOM 1394 HB1 ALA A 103 -3.228 5.612 6.563 1.00 0.00 H ATOM 1395 HB2 ALA A 103 -2.887 7.344 6.802 1.00 0.00 H ATOM 1396 HB3 ALA A 103 -4.484 6.824 6.208 1.00 0.00 H ATOM 1397 H ALA A 103 -0.812 7.196 4.942 1.00 0.00 H ATOM 1398 N VAL A 104 -4.500 8.152 3.631 1.00 52.28 N ATOM 1399 CA VAL A 104 -5.076 9.398 3.192 1.00 47.67 C ATOM 1400 C VAL A 104 -6.276 9.682 4.069 1.00 52.40 C ATOM 1401 O VAL A 104 -7.283 8.974 3.973 1.00 52.53 O ATOM 1402 CB VAL A 104 -5.537 9.276 1.756 1.00 45.50 C ATOM 1403 CG1 VAL A 104 -6.225 10.549 1.301 1.00 43.88 C ATOM 1404 CG2 VAL A 104 -4.342 8.964 0.879 1.00 51.25 C ATOM 1405 HA VAL A 104 -4.339 10.198 3.261 1.00 0.00 H ATOM 1406 HB VAL A 104 -6.263 8.467 1.677 1.00 0.00 H ATOM 1407 HG11 VAL A 104 -7.092 10.738 1.934 1.00 0.00 H ATOM 1408 HG12 VAL A 104 -5.529 11.384 1.377 1.00 0.00 H ATOM 1409 HG13 VAL A 104 -6.547 10.436 0.266 1.00 0.00 H ATOM 1410 HG21 VAL A 104 -3.611 9.768 0.964 1.00 0.00 H ATOM 1411 HG22 VAL A 104 -3.891 8.026 1.202 1.00 0.00 H ATOM 1412 HG23 VAL A 104 -4.667 8.875 -0.158 1.00 0.00 H ATOM 1413 H VAL A 104 -5.057 7.280 3.526 1.00 0.00 H ATOM 1414 N TRP A 105 -6.156 10.706 4.927 1.00 51.58 N ATOM 1415 CA TRP A 105 -7.241 11.150 5.801 1.00 47.82 C ATOM 1416 C TRP A 105 -7.915 12.413 5.264 1.00 48.06 C ATOM 1417 O TRP A 105 -7.254 13.344 4.827 1.00 44.78 O ATOM 1418 CB TRP A 105 -6.717 11.477 7.182 1.00 49.24 C ATOM 1419 CG TRP A 105 -6.218 10.351 7.937 1.00 50.74 C ATOM 1420 CD1 TRP A 105 -6.950 9.445 8.644 1.00 50.52 C ATOM 1421 CD2 TRP A 105 -4.843 10.002 8.124 1.00 57.81 C ATOM 1422 NE1 TRP A 105 -6.117 8.531 9.231 1.00 57.36 N ATOM 1423 CE2 TRP A 105 -4.814 8.847 8.924 1.00 61.06 C ATOM 1424 CE3 TRP A 105 -3.628 10.524 7.653 1.00 60.79 C ATOM 1425 CZ2 TRP A 105 -3.602 8.202 9.280 1.00 58.09 C ATOM 1426 CZ3 TRP A 105 -2.429 9.885 8.015 1.00 59.73 C ATOM 1427 CH2 TRP A 105 -2.433 8.746 8.826 1.00 55.23 C ATOM 1428 HA TRP A 105 -7.959 10.331 5.841 1.00 0.00 H ATOM 1429 HB2 TRP A 105 -5.905 12.196 7.073 1.00 0.00 H ATOM 1430 HB3 TRP A 105 -7.528 11.931 7.751 1.00 0.00 H ATOM 1431 HE1 TRP A 105 -6.421 7.726 9.816 1.00 0.00 H ATOM 1432 HD1 TRP A 105 -8.037 9.448 8.729 1.00 0.00 H ATOM 1433 HZ2 TRP A 105 -3.603 7.302 9.895 1.00 0.00 H ATOM 1434 HH2 TRP A 105 -1.486 8.283 9.102 1.00 0.00 H ATOM 1435 HZ3 TRP A 105 -1.480 10.284 7.657 1.00 0.00 H ATOM 1436 HE3 TRP A 105 -3.614 11.410 7.018 1.00 0.00 H ATOM 1437 H TRP A 105 -5.247 11.209 4.973 1.00 0.00 H ATOM 1438 N ARG A 106 -9.245 12.431 5.295 1.00 51.56 N ATOM 1439 CA ARG A 106 -10.010 13.583 4.875 1.00 49.62 C ATOM 1440 C ARG A 106 -11.018 13.913 5.950 1.00 50.48 C ATOM 1441 O ARG A 106 -11.932 13.141 6.191 1.00 46.72 O ATOM 1442 CB ARG A 106 -10.770 13.312 3.596 1.00 45.52 C ATOM 1443 CG ARG A 106 -10.015 13.606 2.314 1.00 46.18 C ATOM 1444 CD ARG A 106 -10.688 13.032 1.061 1.00 46.70 C ATOM 1445 HA ARG A 106 -9.315 14.405 4.705 1.00 0.00 H ATOM 1446 HB2 ARG A 106 -11.049 12.258 3.588 1.00 0.00 H ATOM 1447 HB3 ARG A 106 -11.671 13.925 3.604 1.00 0.00 H ATOM 1448 HG2 ARG A 106 -9.937 14.687 2.199 1.00 0.00 H ATOM 1449 HG3 ARG A 106 -9.016 13.178 2.396 1.00 0.00 H ATOM 1450 HD2 ARG A 106 -10.763 11.949 1.155 1.00 0.00 H ATOM 1451 HD3 ARG A 106 -11.685 13.459 0.958 1.00 0.00 H ATOM 1452 H ARG A 106 -9.751 11.588 5.633 1.00 0.00 H ATOM 1453 N THR A 107 -10.918 15.137 6.468 1.00 53.62 N ATOM 1454 CA THR A 107 -11.753 15.609 7.563 1.00 47.31 C ATOM 1455 C THR A 107 -12.571 16.878 7.240 1.00 44.85 C ATOM 1456 O THR A 107 -12.339 17.576 6.258 1.00 37.18 O ATOM 1457 CB THR A 107 -10.879 15.873 8.773 1.00 47.88 C ATOM 1458 OG1 THR A 107 -9.999 16.979 8.504 1.00 44.65 O ATOM 1459 CG2 THR A 107 -10.078 14.630 9.075 1.00 47.89 C ATOM 1460 HA THR A 107 -12.481 14.821 7.754 1.00 0.00 H ATOM 1461 HB THR A 107 -11.499 16.124 9.634 1.00 0.00 H ATOM 1462 HG1 THR A 107 -9.426 16.762 7.726 1.00 0.00 H ATOM 1463 HG23 THR A 107 -10.757 13.802 9.276 1.00 0.00 H ATOM 1464 HG21 THR A 107 -9.450 14.387 8.218 1.00 0.00 H ATOM 1465 HG22 THR A 107 -9.450 14.807 9.948 1.00 0.00 H ATOM 1466 H THR A 107 -10.209 15.786 6.071 1.00 0.00 H ATOM 1467 N ARG A 108 -13.580 17.111 8.066 1.00 46.32 N ATOM 1468 CA ARG A 108 -14.428 18.268 7.962 1.00 47.93 C ATOM 1469 C ARG A 108 -14.997 18.596 9.345 1.00 50.49 C ATOM 1470 O ARG A 108 -15.381 17.702 10.078 1.00 49.57 O ATOM 1471 CB ARG A 108 -15.538 17.966 6.959 1.00 47.36 C ATOM 1472 CG ARG A 108 -16.560 19.068 6.852 1.00 49.60 C ATOM 1473 CD ARG A 108 -17.312 18.962 5.550 1.00 52.22 C ATOM 1474 NE ARG A 108 -18.412 18.021 5.642 1.00 51.65 N ATOM 1475 CZ ARG A 108 -18.802 17.217 4.654 1.00 57.72 C ATOM 1476 NH1 ARG A 108 -18.156 17.194 3.492 1.00 55.73 N ATOM 1477 NH2 ARG A 108 -19.847 16.413 4.832 1.00 63.12 N ATOM 1478 HA ARG A 108 -13.868 19.135 7.612 1.00 0.00 H ATOM 1479 HB2 ARG A 108 -15.087 17.815 5.978 1.00 0.00 H ATOM 1480 HB3 ARG A 108 -16.045 17.052 7.268 1.00 0.00 H ATOM 1481 HG2 ARG A 108 -17.263 18.988 7.681 1.00 0.00 H ATOM 1482 HG3 ARG A 108 -16.055 20.033 6.898 1.00 0.00 H ATOM 1483 HD2 ARG A 108 -16.626 18.629 4.771 1.00 0.00 H ATOM 1484 HD3 ARG A 108 -17.707 19.944 5.289 1.00 0.00 H ATOM 1485 HE ARG A 108 -18.932 17.971 6.541 1.00 0.00 H ATOM 1486 HH12 ARG A 108 -18.475 16.560 2.732 1.00 0.00 H ATOM 1487 HH11 ARG A 108 -17.332 17.810 3.343 1.00 0.00 H ATOM 1488 HH22 ARG A 108 -20.156 15.783 4.064 1.00 0.00 H ATOM 1489 HH21 ARG A 108 -20.355 16.414 5.739 1.00 0.00 H ATOM 1490 H ARG A 108 -13.768 16.425 8.825 1.00 0.00 H ATOM 1491 N ASP A 109 -15.101 19.881 9.665 1.00 54.06 N ATOM 1492 CA ASP A 109 -15.649 20.332 10.954 1.00 51.99 C ATOM 1493 C ASP A 109 -15.315 19.394 12.081 1.00 49.97 C ATOM 1494 O ASP A 109 -16.193 18.974 12.840 1.00 55.94 O ATOM 1495 CB ASP A 109 -17.151 20.497 10.835 1.00 51.03 C ATOM 1496 CG ASP A 109 -17.570 20.850 9.411 1.00 54.97 C ATOM 1497 OD1 ASP A 109 -16.871 21.629 8.698 1.00 48.60 O ATOM 1498 OD2 ASP A 109 -18.572 20.259 8.965 1.00 64.98 O ATOM 1499 HA ASP A 109 -15.187 21.290 11.193 1.00 0.00 H ATOM 1500 HB2 ASP A 109 -17.633 19.563 11.124 1.00 0.00 H ATOM 1501 HB3 ASP A 109 -17.473 21.293 11.506 1.00 0.00 H ATOM 1502 H ASP A 109 -14.783 20.595 8.979 1.00 0.00 H ATOM 1503 N GLY A 110 -14.037 19.067 12.200 1.00 52.04 N ATOM 1504 CA GLY A 110 -13.557 18.275 13.332 1.00 58.97 C ATOM 1505 C GLY A 110 -13.887 16.788 13.336 1.00 56.64 C ATOM 1506 O GLY A 110 -13.515 16.097 14.285 1.00 60.90 O ATOM 1507 HA3 GLY A 110 -13.982 18.707 14.238 1.00 0.00 H ATOM 1508 HA2 GLY A 110 -12.471 18.370 13.361 1.00 0.00 H ATOM 1509 H GLY A 110 -13.361 19.380 11.474 1.00 0.00 H ATOM 1510 N GLN A 111 -14.569 16.296 12.298 1.00 52.40 N ATOM 1511 CA GLN A 111 -14.864 14.872 12.164 1.00 50.58 C ATOM 1512 C GLN A 111 -14.159 14.251 10.950 1.00 53.02 C ATOM 1513 O GLN A 111 -13.758 14.946 10.007 1.00 51.41 O ATOM 1514 CB GLN A 111 -16.372 14.634 12.108 1.00 54.88 C ATOM 1515 HA GLN A 111 -14.472 14.373 13.050 1.00 0.00 H ATOM 1516 HB2 GLN A 111 -16.831 15.004 13.025 1.00 0.00 H ATOM 1517 HB3 GLN A 111 -16.790 15.163 11.251 1.00 0.00 H ATOM 1518 H GLN A 111 -14.901 16.949 11.560 1.00 0.00 H ATOM 1519 N ILE A 112 -13.981 12.935 11.003 1.00 56.55 N ATOM 1520 CA ILE A 112 -13.258 12.188 9.963 1.00 57.75 C ATOM 1521 C ILE A 112 -14.260 11.713 8.903 1.00 50.38 C ATOM 1522 O ILE A 112 -15.170 10.958 9.197 1.00 48.52 O ATOM 1523 CB ILE A 112 -12.422 11.004 10.555 1.00 54.10 C ATOM 1524 HA ILE A 112 -12.531 12.852 9.494 1.00 0.00 H ATOM 1525 HB ILE A 112 -11.690 11.395 11.261 1.00 0.00 H ATOM 1526 H ILE A 112 -14.369 12.412 11.814 1.00 0.00 H ATOM 1527 N LEU A 113 -14.091 12.185 7.674 1.00 48.95 N ATOM 1528 CA LEU A 113 -14.882 11.697 6.533 1.00 46.08 C ATOM 1529 C LEU A 113 -14.272 10.465 5.876 1.00 45.95 C ATOM 1530 O LEU A 113 -14.996 9.581 5.440 1.00 42.60 O ATOM 1531 CB LEU A 113 -15.048 12.776 5.449 1.00 42.80 C ATOM 1532 CG LEU A 113 -15.700 14.058 5.896 1.00 46.14 C ATOM 1533 CD1 LEU A 113 -15.986 14.915 4.692 1.00 48.48 C ATOM 1534 CD2 LEU A 113 -16.987 13.801 6.645 1.00 47.79 C ATOM 1535 HA LEU A 113 -15.852 11.435 6.954 1.00 0.00 H ATOM 1536 HB2 LEU A 113 -14.058 13.020 5.065 1.00 0.00 H ATOM 1537 HB3 LEU A 113 -15.653 12.354 4.647 1.00 0.00 H ATOM 1538 HG LEU A 113 -15.014 14.567 6.573 1.00 0.00 H ATOM 1539 HD21 LEU A 113 -17.684 13.270 5.996 1.00 0.00 H ATOM 1540 HD22 LEU A 113 -16.778 13.197 7.528 1.00 0.00 H ATOM 1541 HD23 LEU A 113 -17.425 14.752 6.949 1.00 0.00 H ATOM 1542 HD11 LEU A 113 -15.052 15.140 4.177 1.00 0.00 H ATOM 1543 HD12 LEU A 113 -16.655 14.380 4.017 1.00 0.00 H ATOM 1544 HD13 LEU A 113 -16.458 15.844 5.013 1.00 0.00 H ATOM 1545 H LEU A 113 -13.377 12.923 7.512 1.00 0.00 H ATOM 1546 N LEU A 114 -12.943 10.453 5.733 1.00 51.15 N ATOM 1547 CA LEU A 114 -12.232 9.356 5.045 1.00 49.95 C ATOM 1548 C LEU A 114 -10.986 8.878 5.769 1.00 50.11 C ATOM 1549 O LEU A 114 -10.125 9.684 6.107 1.00 62.03 O ATOM 1550 CB LEU A 114 -11.795 9.794 3.661 1.00 43.36 C ATOM 1551 CG LEU A 114 -10.981 8.719 2.943 1.00 39.54 C ATOM 1552 CD1 LEU A 114 -11.892 7.578 2.497 1.00 39.97 C ATOM 1553 CD2 LEU A 114 -10.237 9.286 1.756 1.00 36.62 C ATOM 1554 HA LEU A 114 -12.950 8.536 5.011 1.00 0.00 H ATOM 1555 HB2 LEU A 114 -12.681 10.018 3.068 1.00 0.00 H ATOM 1556 HB3 LEU A 114 -11.185 10.693 3.754 1.00 0.00 H ATOM 1557 HG LEU A 114 -10.243 8.335 3.647 1.00 0.00 H ATOM 1558 HD21 LEU A 114 -10.951 9.708 1.049 1.00 0.00 H ATOM 1559 HD22 LEU A 114 -9.555 10.066 2.095 1.00 0.00 H ATOM 1560 HD23 LEU A 114 -9.670 8.492 1.271 1.00 0.00 H ATOM 1561 HD11 LEU A 114 -12.375 7.138 3.370 1.00 0.00 H ATOM 1562 HD12 LEU A 114 -12.651 7.965 1.817 1.00 0.00 H ATOM 1563 HD13 LEU A 114 -11.299 6.819 1.987 1.00 0.00 H ATOM 1564 H LEU A 114 -12.390 11.244 6.120 1.00 0.00 H ATOM 1565 N TYR A 115 -10.905 7.576 5.977 1.00 44.19 N ATOM 1566 CA TYR A 115 -9.772 6.964 6.615 1.00 47.86 C ATOM 1567 C TYR A 115 -9.298 5.830 5.697 1.00 52.94 C ATOM 1568 O TYR A 115 -9.764 4.696 5.784 1.00 54.89 O ATOM 1569 CB TYR A 115 -10.221 6.431 7.967 1.00 49.10 C ATOM 1570 CG TYR A 115 -9.183 6.229 9.031 1.00 47.33 C ATOM 1571 CD1 TYR A 115 -8.158 5.351 8.868 1.00 47.20 C ATOM 1572 CD2 TYR A 115 -9.299 6.873 10.250 1.00 48.72 C ATOM 1573 CE1 TYR A 115 -7.231 5.158 9.880 1.00 49.14 C ATOM 1574 CE2 TYR A 115 -8.383 6.686 11.269 1.00 46.19 C ATOM 1575 CZ TYR A 115 -7.353 5.822 11.075 1.00 45.05 C ATOM 1576 OH TYR A 115 -6.446 5.595 12.081 1.00 45.87 O ATOM 1577 HA TYR A 115 -8.954 7.665 6.777 1.00 0.00 H ATOM 1578 HB3 TYR A 115 -10.697 5.466 7.792 1.00 0.00 H ATOM 1579 HB2 TYR A 115 -10.957 7.131 8.362 1.00 0.00 H ATOM 1580 HD2 TYR A 115 -10.139 7.549 10.412 1.00 0.00 H ATOM 1581 HE2 TYR A 115 -8.486 7.223 12.212 1.00 0.00 H ATOM 1582 HE1 TYR A 115 -6.398 4.473 9.726 1.00 0.00 H ATOM 1583 HD1 TYR A 115 -8.065 4.795 7.935 1.00 0.00 H ATOM 1584 HH TYR A 115 -5.768 4.944 11.771 1.00 0.00 H ATOM 1585 H TYR A 115 -11.692 6.970 5.667 1.00 0.00 H ATOM 1586 N ARG A 116 -8.369 6.151 4.803 1.00 57.63 N ATOM 1587 CA ARG A 116 -7.901 5.206 3.814 1.00 55.55 C ATOM 1588 C ARG A 116 -6.553 4.693 4.251 1.00 58.12 C ATOM 1589 O ARG A 116 -5.563 5.400 4.143 1.00 65.46 O ATOM 1590 CB ARG A 116 -7.798 5.906 2.487 1.00 55.98 C ATOM 1591 CG ARG A 116 -7.937 5.009 1.277 1.00 58.96 C ATOM 1592 CD ARG A 116 -8.286 5.850 0.059 1.00 57.96 C ATOM 1593 NE ARG A 116 -7.612 5.380 -1.130 1.00 55.26 N ATOM 1594 CZ ARG A 116 -7.980 4.328 -1.845 1.00 57.27 C ATOM 1595 NH1 ARG A 116 -9.030 3.594 -1.498 1.00 54.78 N ATOM 1596 NH2 ARG A 116 -7.269 3.991 -2.921 1.00 63.27 N ATOM 1597 HA ARG A 116 -8.590 4.367 3.715 1.00 0.00 H ATOM 1598 HB2 ARG A 116 -8.583 6.660 2.441 1.00 0.00 H ATOM 1599 HB3 ARG A 116 -6.824 6.393 2.436 1.00 0.00 H ATOM 1600 HG2 ARG A 116 -6.996 4.487 1.101 1.00 0.00 H ATOM 1601 HG3 ARG A 116 -8.728 4.280 1.454 1.00 0.00 H ATOM 1602 HD2 ARG A 116 -7.991 6.882 0.247 1.00 0.00 H ATOM 1603 HD3 ARG A 116 -9.363 5.805 -0.104 1.00 0.00 H ATOM 1604 HE ARG A 116 -6.774 5.908 -1.448 1.00 0.00 H ATOM 1605 HH12 ARG A 116 -9.302 2.772 -2.073 1.00 0.00 H ATOM 1606 HH11 ARG A 116 -9.580 3.841 -0.651 1.00 0.00 H ATOM 1607 HH22 ARG A 116 -7.547 3.167 -3.491 1.00 0.00 H ATOM 1608 HH21 ARG A 116 -6.436 4.552 -3.190 1.00 0.00 H ATOM 1609 H ARG A 116 -7.967 7.110 4.815 1.00 0.00 H ATOM 1610 N LEU A 117 -6.520 3.458 4.749 1.00 59.39 N ATOM 1611 CA LEU A 117 -5.339 2.919 5.415 1.00 57.90 C ATOM 1612 C LEU A 117 -4.675 1.820 4.609 1.00 57.13 C ATOM 1613 O LEU A 117 -5.203 0.701 4.526 1.00 62.29 O ATOM 1614 CB LEU A 117 -5.752 2.356 6.750 1.00 59.22 C ATOM 1615 CG LEU A 117 -4.629 2.036 7.714 1.00 66.86 C ATOM 1616 CD1 LEU A 117 -3.928 3.299 8.200 1.00 70.60 C ATOM 1617 CD2 LEU A 117 -5.230 1.298 8.896 1.00 71.08 C ATOM 1618 HA LEU A 117 -4.620 3.731 5.529 1.00 0.00 H ATOM 1619 HB2 LEU A 117 -6.407 3.083 7.230 1.00 0.00 H ATOM 1620 HB3 LEU A 117 -6.306 1.436 6.567 1.00 0.00 H ATOM 1621 HG LEU A 117 -3.882 1.426 7.206 1.00 0.00 H ATOM 1622 HD21 LEU A 117 -5.974 1.932 9.378 1.00 0.00 H ATOM 1623 HD22 LEU A 117 -5.703 0.380 8.547 1.00 0.00 H ATOM 1624 HD23 LEU A 117 -4.442 1.054 9.609 1.00 0.00 H ATOM 1625 HD11 LEU A 117 -3.508 3.831 7.347 1.00 0.00 H ATOM 1626 HD12 LEU A 117 -4.648 3.939 8.710 1.00 0.00 H ATOM 1627 HD13 LEU A 117 -3.129 3.027 8.890 1.00 0.00 H ATOM 1628 H LEU A 117 -7.365 2.858 4.660 1.00 0.00 H ATOM 1629 N PHE A 118 -3.531 2.129 4.004 1.00 50.89 N ATOM 1630 CA PHE A 118 -2.802 1.123 3.247 1.00 53.48 C ATOM 1631 C PHE A 118 -1.842 0.333 4.126 1.00 57.38 C ATOM 1632 O PHE A 118 -1.116 0.904 4.943 1.00 56.86 O ATOM 1633 CB PHE A 118 -1.974 1.743 2.147 1.00 54.51 C ATOM 1634 CG PHE A 118 -2.775 2.460 1.108 1.00 50.93 C ATOM 1635 CD1 PHE A 118 -3.173 3.743 1.319 1.00 50.55 C ATOM 1636 CD2 PHE A 118 -3.077 1.848 -0.110 1.00 46.60 C ATOM 1637 CE1 PHE A 118 -3.871 4.415 0.340 1.00 49.51 C ATOM 1638 CE2 PHE A 118 -3.764 2.517 -1.080 1.00 42.49 C ATOM 1639 CZ PHE A 118 -4.155 3.809 -0.859 1.00 43.50 C ATOM 1640 HA PHE A 118 -3.566 0.466 2.831 1.00 0.00 H ATOM 1641 HB2 PHE A 118 -1.283 2.455 2.598 1.00 0.00 H ATOM 1642 HB3 PHE A 118 -1.408 0.951 1.657 1.00 0.00 H ATOM 1643 HD2 PHE A 118 -2.759 0.821 -0.288 1.00 0.00 H ATOM 1644 HE2 PHE A 118 -4.000 2.026 -2.024 1.00 0.00 H ATOM 1645 HZ PHE A 118 -4.691 4.357 -1.634 1.00 0.00 H ATOM 1646 HE1 PHE A 118 -4.201 5.438 0.519 1.00 0.00 H ATOM 1647 HD1 PHE A 118 -2.940 4.239 2.261 1.00 0.00 H ATOM 1648 H PHE A 118 -3.155 3.096 4.073 1.00 0.00 H ATOM 1649 N PHE A 119 -1.831 -0.980 3.940 1.00 56.42 N ATOM 1650 CA PHE A 119 -0.850 -1.804 4.581 1.00 57.65 C ATOM 1651 C PHE A 119 -0.647 -3.063 3.763 1.00 64.33 C ATOM 1652 O PHE A 119 -1.359 -3.313 2.800 1.00 63.95 O ATOM 1653 CB PHE A 119 -1.224 -2.112 6.015 1.00 54.98 C ATOM 1654 CG PHE A 119 -2.640 -2.503 6.200 1.00 54.68 C ATOM 1655 CD1 PHE A 119 -3.039 -3.800 5.985 1.00 56.59 C ATOM 1656 CD2 PHE A 119 -3.564 -1.581 6.662 1.00 60.01 C ATOM 1657 CE1 PHE A 119 -4.348 -4.179 6.205 1.00 59.87 C ATOM 1658 CE2 PHE A 119 -4.878 -1.944 6.874 1.00 59.54 C ATOM 1659 CZ PHE A 119 -5.273 -3.245 6.642 1.00 60.19 C ATOM 1660 HA PHE A 119 0.094 -1.261 4.628 1.00 0.00 H ATOM 1661 HB2 PHE A 119 -0.594 -2.930 6.365 1.00 0.00 H ATOM 1662 HB3 PHE A 119 -1.032 -1.224 6.617 1.00 0.00 H ATOM 1663 HD2 PHE A 119 -3.250 -0.556 6.861 1.00 0.00 H ATOM 1664 HE2 PHE A 119 -5.600 -1.206 7.223 1.00 0.00 H ATOM 1665 HZ PHE A 119 -6.311 -3.538 6.802 1.00 0.00 H ATOM 1666 HE1 PHE A 119 -4.653 -5.211 6.035 1.00 0.00 H ATOM 1667 HD1 PHE A 119 -2.315 -4.537 5.637 1.00 0.00 H ATOM 1668 H PHE A 119 -2.543 -1.417 3.321 1.00 0.00 H ATOM 1669 N ASN A 120 0.376 -3.819 4.134 1.00 69.51 N ATOM 1670 CA ASN A 120 0.735 -5.012 3.422 1.00 67.27 C ATOM 1671 C ASN A 120 -0.138 -6.193 3.884 1.00 63.01 C ATOM 1672 O ASN A 120 0.040 -6.713 4.984 1.00 60.72 O ATOM 1673 CB ASN A 120 2.212 -5.293 3.651 1.00 68.47 C ATOM 1674 CG ASN A 120 2.738 -6.380 2.759 1.00 74.15 C ATOM 1675 OD1 ASN A 120 1.983 -7.201 2.248 1.00 63.08 O ATOM 1676 ND2 ASN A 120 4.048 -6.362 2.520 1.00 91.58 N ATOM 1677 HA ASN A 120 0.561 -4.876 2.355 1.00 0.00 H ATOM 1678 HB2 ASN A 120 2.775 -4.380 3.459 1.00 0.00 H ATOM 1679 HB3 ASN A 120 2.354 -5.594 4.689 1.00 0.00 H ATOM 1680 HD22 ASN A 120 4.650 -5.647 2.976 1.00 0.00 H ATOM 1681 HD21 ASN A 120 4.469 -7.063 1.877 1.00 0.00 H ATOM 1682 H ASN A 120 0.935 -3.540 4.965 1.00 0.00 H ATOM 1683 N PRO A 121 -1.074 -6.630 3.034 1.00 59.36 N ATOM 1684 CA PRO A 121 -1.881 -7.770 3.413 1.00 55.62 C ATOM 1685 C PRO A 121 -1.125 -9.113 3.461 1.00 53.72 C ATOM 1686 O PRO A 121 -1.516 -9.993 4.232 1.00 56.83 O ATOM 1687 CB PRO A 121 -2.985 -7.769 2.366 1.00 55.66 C ATOM 1688 CG PRO A 121 -2.346 -7.195 1.154 1.00 58.68 C ATOM 1689 CD PRO A 121 -1.318 -6.220 1.637 1.00 60.74 C ATOM 1690 HA PRO A 121 -2.241 -7.678 4.438 1.00 0.00 H ATOM 1691 HD3 PRO A 121 -0.405 -6.292 1.046 1.00 0.00 H ATOM 1692 HD2 PRO A 121 -1.699 -5.200 1.592 1.00 0.00 H ATOM 1693 HG3 PRO A 121 -3.090 -6.686 0.541 1.00 0.00 H ATOM 1694 HG2 PRO A 121 -1.872 -7.983 0.569 1.00 0.00 H ATOM 1695 HB2 PRO A 121 -3.335 -8.783 2.174 1.00 0.00 H ATOM 1696 HB3 PRO A 121 -3.823 -7.152 2.690 1.00 0.00 H ATOM 1697 N LEU A 122 -0.080 -9.297 2.653 1.00 54.40 N ATOM 1698 CA LEU A 122 0.727 -10.532 2.733 1.00 55.38 C ATOM 1699 C LEU A 122 1.296 -10.634 4.111 1.00 56.28 C ATOM 1700 O LEU A 122 1.103 -11.638 4.784 1.00 72.85 O ATOM 1701 CB LEU A 122 1.876 -10.555 1.730 1.00 57.01 C ATOM 1702 CG LEU A 122 1.869 -11.790 0.820 1.00 57.65 C ATOM 1703 HA LEU A 122 0.072 -11.371 2.498 1.00 0.00 H ATOM 1704 HB2 LEU A 122 1.806 -9.665 1.105 1.00 0.00 H ATOM 1705 HB3 LEU A 122 2.816 -10.538 2.281 1.00 0.00 H ATOM 1706 HG LEU A 122 1.949 -12.690 1.430 1.00 0.00 H ATOM 1707 H LEU A 122 0.169 -8.563 1.959 1.00 0.00 H ATOM 1708 N ARG A 123 1.916 -9.548 4.558 1.00 59.01 N ATOM 1709 CA ARG A 123 2.574 -9.457 5.839 1.00 59.23 C ATOM 1710 C ARG A 123 1.478 -9.330 6.908 1.00 56.54 C ATOM 1711 O ARG A 123 0.634 -10.220 7.065 1.00 48.12 O ATOM 1712 CB ARG A 123 3.588 -8.274 5.874 1.00 50.26 C ATOM 1713 HA ARG A 123 3.169 -10.350 6.033 1.00 0.00 H ATOM 1714 HB2 ARG A 123 4.346 -8.424 5.105 1.00 0.00 H ATOM 1715 HB3 ARG A 123 3.060 -7.339 5.688 1.00 0.00 H ATOM 1716 H ARG A 123 1.928 -8.708 3.945 1.00 0.00 H TER 1717 ARG A 123 HETATM 1718 O23 DOG A 1 -4.812 3.604 12.387 1.00 -0.39 O HETATM 1719 C23 DOG A 1 -5.266 2.481 12.341 1.00 0.22 C HETATM 1720 C22 DOG A 1 -4.642 1.211 12.738 1.00 0.00 C HETATM 1721 C20 DOG A 1 -5.563 0.240 12.649 1.00 -0.01 C HETATM 1722 C21 DOG A 1 -6.886 0.826 12.189 1.00 0.12 C HETATM 1723 O21 DOG A 1 -6.606 2.209 11.905 1.00 -0.27 O HETATM 1724 H2 DOG A 1 -7.243 0.311 11.285 1.00 0.09 H HETATM 1725 H3 DOG A 1 -7.643 0.740 12.983 1.00 0.09 H HETATM 1726 C17 DOG A 1 -5.289 -1.204 12.983 1.00 0.02 C HETATM 1727 C16 DOG A 1 -6.197 -1.643 14.122 1.00 -0.03 C HETATM 1728 C15 DOG A 1 -6.772 -2.990 13.741 1.00 -0.02 C HETATM 1729 C14 DOG A 1 -6.737 -2.933 12.254 1.00 0.08 C HETATM 1730 C13 DOG A 1 -5.448 -2.266 11.899 1.00 0.04 C HETATM 1731 C18 DOG A 1 -5.465 -1.757 10.469 1.00 -0.05 C HETATM 1732 H7 DOG A 1 -4.504 -1.273 10.241 1.00 0.02 H HETATM 1733 H8 DOG A 1 -6.280 -1.028 10.349 1.00 0.02 H HETATM 1734 H9 DOG A 1 -5.623 -2.601 9.781 1.00 0.02 H HETATM 1735 C12 DOG A 1 -4.323 -3.282 12.052 1.00 0.07 C HETATM 1736 O12 DOG A 1 -3.116 -2.696 11.540 1.00 -0.39 O HETATM 1737 H11 DOG A 1 -2.914 -1.909 12.032 1.00 0.21 H HETATM 1738 C11 DOG A 1 -4.558 -4.615 11.321 1.00 -0.02 C HETATM 1739 C9 DOG A 1 -5.896 -5.267 11.643 1.00 -0.03 C HETATM 1740 C8 DOG A 1 -7.012 -4.253 11.508 1.00 -0.01 C HETATM 1741 C7 DOG A 1 -8.325 -4.896 11.943 1.00 -0.05 C HETATM 1742 C6 DOG A 1 -8.622 -6.234 11.264 1.00 -0.05 C HETATM 1743 C5 DOG A 1 -7.447 -7.179 11.332 1.00 -0.03 C HETATM 1744 C10 DOG A 1 -6.174 -6.532 10.818 1.00 -0.03 C HETATM 1745 C19 DOG A 1 -6.309 -6.318 9.328 1.00 -0.06 C HETATM 1746 H21 DOG A 1 -6.506 -7.282 8.835 1.00 0.02 H HETATM 1747 H22 DOG A 1 -5.377 -5.888 8.933 1.00 0.02 H HETATM 1748 H23 DOG A 1 -7.143 -5.628 9.131 1.00 0.02 H HETATM 1749 C1 DOG A 1 -5.068 -7.551 10.923 1.00 -0.04 C HETATM 1750 C2 DOG A 1 -4.846 -7.966 12.373 1.00 -0.03 C HETATM 1751 C3 DOG A 1 -6.123 -8.545 13.012 1.00 0.06 C HETATM 1752 C4 DOG A 1 -7.347 -7.655 12.773 1.00 -0.02 C HETATM 1753 H27 DOG A 1 -8.253 -8.228 13.019 1.00 0.03 H HETATM 1754 H28 DOG A 1 -7.278 -6.776 13.431 1.00 0.03 H HETATM 1755 O32 DOG A 1 -6.406 -9.876 12.505 1.00 -0.39 O HETATM 1756 H30 DOG A 1 -6.592 -9.826 11.575 1.00 0.21 H HETATM 1757 H29 DOG A 1 -5.954 -8.614 14.097 1.00 0.06 H HETATM 1758 H31 DOG A 1 -4.055 -8.730 12.406 1.00 0.03 H HETATM 1759 H32 DOG A 1 -4.529 -7.085 12.950 1.00 0.03 H HETATM 1760 H33 DOG A 1 -4.139 -7.116 10.527 1.00 0.03 H HETATM 1761 H34 DOG A 1 -5.339 -8.438 10.332 1.00 0.03 H HETATM 1762 H24 DOG A 1 -7.656 -8.049 10.693 1.00 0.03 H HETATM 1763 H25 DOG A 1 -8.867 -6.049 10.208 1.00 0.03 H HETATM 1764 H26 DOG A 1 -9.483 -6.702 11.764 1.00 0.03 H HETATM 1765 H16 DOG A 1 -9.144 -4.201 11.708 1.00 0.03 H HETATM 1766 H17 DOG A 1 -8.285 -5.062 13.030 1.00 0.03 H HETATM 1767 H15 DOG A 1 -7.101 -4.002 10.441 1.00 0.03 H HETATM 1768 H18 DOG A 1 -5.859 -5.578 12.697 1.00 0.03 H HETATM 1769 H19 DOG A 1 -3.756 -5.312 11.605 1.00 0.03 H HETATM 1770 H20 DOG A 1 -4.515 -4.428 10.238 1.00 0.03 H HETATM 1771 H10 DOG A 1 -4.199 -3.497 13.124 1.00 0.06 H HETATM 1772 O14 DOG A 1 -7.725 -1.976 11.981 1.00 -0.39 O HETATM 1773 H14 DOG A 1 -7.794 -1.853 11.041 1.00 0.21 H HETATM 1774 H12 DOG A 1 -7.801 -3.105 14.112 1.00 0.03 H HETATM 1775 H13 DOG A 1 -6.150 -3.813 14.124 1.00 0.03 H HETATM 1776 H5 DOG A 1 -7.008 -0.913 14.261 1.00 0.03 H HETATM 1777 H6 DOG A 1 -5.618 -1.730 15.053 1.00 0.03 H HETATM 1778 H4 DOG A 1 -4.244 -1.247 13.323 1.00 0.06 H HETATM 1779 H1 DOG A 1 -3.607 1.080 13.051 1.00 0.03 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 1718 1719 CONECT 1719 1718 1720 1723 CONECT 1720 1719 1721 1779 CONECT 1721 1720 1722 1726 CONECT 1722 1721 1723 1724 1725 CONECT 1723 1719 1722 CONECT 1724 1722 CONECT 1725 1722 CONECT 1726 1721 1727 1730 1778 CONECT 1727 1726 1728 1776 1777 CONECT 1728 1727 1729 1774 1775 CONECT 1729 1728 1730 1740 1772 CONECT 1730 1726 1729 1731 1735 CONECT 1731 1730 1732 1733 1734 CONECT 1732 1731 CONECT 1733 1731 CONECT 1734 1731 CONECT 1735 1730 1736 1738 1771 CONECT 1736 1735 1737 CONECT 1737 1736 CONECT 1738 1735 1739 1769 1770 CONECT 1739 1738 1740 1744 1768 CONECT 1740 1729 1739 1741 1767 CONECT 1741 1740 1742 1765 1766 CONECT 1742 1741 1743 1763 1764 CONECT 1743 1742 1744 1752 1762 CONECT 1744 1739 1743 1745 1749 CONECT 1745 1744 1746 1747 1748 CONECT 1746 1745 CONECT 1747 1745 CONECT 1748 1745 CONECT 1749 1744 1750 1760 1761 CONECT 1750 1749 1751 1758 1759 CONECT 1751 1750 1752 1755 1757 CONECT 1752 1743 1751 1753 1754 CONECT 1753 1752 CONECT 1754 1752 CONECT 1755 1751 1756 CONECT 1756 1755 CONECT 1757 1751 CONECT 1758 1750 CONECT 1759 1750 CONECT 1760 1749 CONECT 1761 1749 CONECT 1762 1743 CONECT 1763 1742 CONECT 1764 1742 CONECT 1765 1741 CONECT 1766 1741 CONECT 1767 1740 CONECT 1768 1739 CONECT 1769 1738 CONECT 1770 1738 CONECT 1771 1735 CONECT 1772 1729 1773 CONECT 1773 1772 CONECT 1774 1728 CONECT 1775 1728 CONECT 1776 1727 CONECT 1777 1727 CONECT 1778 1726 CONECT 1779 1720 MASTER 0 0 0 0 0 0 0 0 1778 1 66 10 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4j9a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4j8t
RCSB PDB
PDBbind
137aa, >4J8T_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1lke
RCSB PDB
PDBbind
DOG
4j8t
RCSB PDB
PDBbind
DOG
Entry Information
PDB ID
4j9a
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Engineered Digoxigenin binder protein DIG10.3
Ligand Name
DOG
EC.Number
E.C.-.-.-.-
Resolution
3.2(Å)
Affinity (Kd/Ki/IC50)
Kd<6nM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Nature Vol. 501: pp. 212-216
Ligand Properties
Formula
C
2
3
H
3
4
O
5
Molecular Weight
390.513
Exact Mass
390.241
No. of atoms
62
No. of bonds
66
Polar Surface Area
86.99
LOGP Value
2.00 (
Computed with XLOGP3
)
2.58 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 5
Canonical SMILES
O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C
InChI String
InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9HYR3
Entrez Gene ID
NCBI Entrez Gene ID:
882497
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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