Browse entries in the PDBbind-CN Database
HEADER 2O9V_COMPLEX COMPND 2O9V_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 67 GLY ILE ASP PRO PHE THR GLY GLU ALA ILE ALA LYS PHE SEQRES 2 A 67 ASN PHE ASN GLY ASP THR GLN VAL GLU MET SER PHE ARG SEQRES 3 A 67 LYS GLY GLU ARG ILE THR LEU LEU ARG GLN VAL ASP GLU SEQRES 4 A 67 ASN TRP TYR GLU GLY ARG ILE PRO GLY THR SER ARG GLN SEQRES 5 A 67 GLY ILE PHE PRO ILE THR TYR VAL ASP VAL ILE LYS ARG SEQRES 6 A 67 PRO LEU HET VAL A 161 145 ATOM 1 N GLY A 818 17.897 10.751 5.248 1.00 57.77 N ATOM 2 CA GLY A 818 19.296 10.289 5.108 1.00 57.51 C ATOM 3 C GLY A 818 19.912 9.989 6.459 1.00 56.33 C ATOM 4 O GLY A 818 21.011 10.458 6.766 1.00 57.07 O ATOM 5 HA3 GLY A 818 19.880 11.067 4.616 1.00 0.00 H ATOM 6 HA2 GLY A 818 19.313 9.384 4.501 1.00 0.00 H ATOM 7 HN3 GLY A 818 17.875 11.617 5.823 1.00 0.00 H ATOM 8 HN2 GLY A 818 17.334 10.011 5.713 1.00 0.00 H ATOM 9 HN1 GLY A 818 17.502 10.948 4.306 1.00 0.00 H ATOM 10 N ILE A 819 19.196 9.200 7.263 1.00 53.13 N ATOM 11 CA ILE A 819 19.560 8.988 8.664 1.00 48.77 C ATOM 12 C ILE A 819 21.022 8.533 8.884 1.00 45.52 C ATOM 13 O ILE A 819 21.766 9.233 9.545 1.00 45.64 O ATOM 14 CB ILE A 819 18.483 8.145 9.445 1.00 48.50 C ATOM 15 CG1 ILE A 819 19.107 7.398 10.643 1.00 47.40 C ATOM 16 CG2 ILE A 819 17.664 7.254 8.483 1.00 48.12 C ATOM 17 CD1 ILE A 819 19.651 5.981 10.380 1.00 45.85 C ATOM 18 HA ILE A 819 19.542 9.976 9.125 1.00 0.00 H ATOM 19 HB ILE A 819 17.758 8.827 9.889 1.00 0.00 H ATOM 20 HG12 ILE A 819 19.934 8.004 11.014 1.00 0.00 H ATOM 21 HG13 ILE A 819 18.342 7.318 11.415 1.00 0.00 H ATOM 22 HD11 ILE A 819 18.842 5.342 10.026 1.00 0.00 H ATOM 23 HD12 ILE A 819 20.435 6.029 9.624 1.00 0.00 H ATOM 24 HD13 ILE A 819 20.060 5.573 11.304 1.00 0.00 H ATOM 25 HG21 ILE A 819 17.152 7.883 7.754 1.00 0.00 H ATOM 26 HG22 ILE A 819 18.335 6.568 7.966 1.00 0.00 H ATOM 27 HG23 ILE A 819 16.930 6.685 9.053 1.00 0.00 H ATOM 28 H ILE A 819 18.355 8.722 6.882 1.00 0.00 H ATOM 29 N ASP A 820 21.432 7.397 8.314 1.00 41.46 N ATOM 30 CA ASP A 820 22.749 6.787 8.609 1.00 37.38 C ATOM 31 C ASP A 820 23.961 7.460 7.902 1.00 33.57 C ATOM 32 O ASP A 820 24.106 7.375 6.675 1.00 31.89 O ATOM 33 CB ASP A 820 22.699 5.287 8.284 1.00 37.63 C ATOM 34 CG ASP A 820 23.967 4.535 8.680 1.00 39.46 C ATOM 35 OD1 ASP A 820 25.026 5.137 9.032 1.00 39.48 O ATOM 36 OD2 ASP A 820 23.911 3.287 8.608 1.00 43.59 O ATOM 37 HA ASP A 820 22.925 6.950 9.672 1.00 0.00 H ATOM 38 HB2 ASP A 820 21.856 4.846 8.816 1.00 0.00 H ATOM 39 HB3 ASP A 820 22.550 5.171 7.210 1.00 0.00 H ATOM 40 H ASP A 820 20.802 6.922 7.636 1.00 0.00 H ATOM 41 N PRO A 821 24.853 8.095 8.688 1.00 29.68 N ATOM 42 CA PRO A 821 26.027 8.804 8.151 1.00 26.67 C ATOM 43 C PRO A 821 27.011 7.936 7.300 1.00 21.34 C ATOM 44 O PRO A 821 27.812 8.451 6.527 1.00 20.10 O ATOM 45 CB PRO A 821 26.729 9.356 9.413 1.00 26.82 C ATOM 46 CG PRO A 821 26.099 8.590 10.612 1.00 29.90 C ATOM 47 CD PRO A 821 24.764 8.140 10.166 1.00 31.19 C ATOM 48 HA PRO A 821 25.707 9.564 7.438 1.00 0.00 H ATOM 49 HD3 PRO A 821 24.538 7.152 10.567 1.00 0.00 H ATOM 50 HD2 PRO A 821 23.995 8.845 10.483 1.00 0.00 H ATOM 51 HG3 PRO A 821 26.006 9.250 11.474 1.00 0.00 H ATOM 52 HG2 PRO A 821 26.717 7.732 10.878 1.00 0.00 H ATOM 53 HB2 PRO A 821 27.802 9.170 9.364 1.00 0.00 H ATOM 54 HB3 PRO A 821 26.551 10.427 9.510 1.00 0.00 H ATOM 55 N PHE A 822 26.987 6.630 7.505 1.00 16.54 N ATOM 56 CA PHE A 822 27.900 5.745 6.753 1.00 15.94 C ATOM 57 C PHE A 822 27.295 5.275 5.434 1.00 14.14 C ATOM 58 O PHE A 822 27.957 4.617 4.652 1.00 17.90 O ATOM 59 CB PHE A 822 28.289 4.479 7.543 1.00 16.07 C ATOM 60 CG PHE A 822 29.207 4.729 8.687 1.00 18.25 C ATOM 61 CD1 PHE A 822 30.007 5.877 8.755 1.00 19.31 C ATOM 62 CD2 PHE A 822 29.272 3.823 9.719 1.00 22.23 C ATOM 63 CE1 PHE A 822 30.847 6.119 9.871 1.00 19.11 C ATOM 64 CE2 PHE A 822 30.135 4.057 10.835 1.00 23.22 C ATOM 65 CZ PHE A 822 30.910 5.219 10.881 1.00 20.15 C ATOM 66 HA PHE A 822 28.783 6.358 6.572 1.00 0.00 H ATOM 67 HB2 PHE A 822 27.377 4.024 7.930 1.00 0.00 H ATOM 68 HB3 PHE A 822 28.777 3.786 6.858 1.00 0.00 H ATOM 69 HD2 PHE A 822 28.662 2.920 9.686 1.00 0.00 H ATOM 70 HE2 PHE A 822 30.188 3.332 11.647 1.00 0.00 H ATOM 71 HZ PHE A 822 31.567 5.401 11.732 1.00 0.00 H ATOM 72 HE1 PHE A 822 31.443 7.031 9.916 1.00 0.00 H ATOM 73 HD1 PHE A 822 29.983 6.596 7.936 1.00 0.00 H ATOM 74 H PHE A 822 26.324 6.225 8.197 1.00 0.00 H ATOM 75 N THR A 823 26.024 5.526 5.187 1.00 14.31 N ATOM 76 CA THR A 823 25.441 5.063 3.901 1.00 14.05 C ATOM 77 C THR A 823 25.744 6.045 2.802 1.00 14.13 C ATOM 78 O THR A 823 26.062 7.202 3.067 1.00 14.65 O ATOM 79 CB THR A 823 23.894 4.792 3.975 1.00 15.76 C ATOM 80 OG1 THR A 823 23.235 5.971 4.491 1.00 19.85 O ATOM 81 CG2 THR A 823 23.646 3.628 4.885 1.00 16.09 C ATOM 82 HA THR A 823 25.913 4.105 3.681 1.00 0.00 H ATOM 83 HB THR A 823 23.502 4.564 2.984 1.00 0.00 H ATOM 84 HG1 THR A 823 23.583 6.173 5.395 1.00 0.00 H ATOM 85 HG23 THR A 823 24.146 2.745 4.488 1.00 0.00 H ATOM 86 HG21 THR A 823 24.038 3.854 5.877 1.00 0.00 H ATOM 87 HG22 THR A 823 22.574 3.441 4.950 1.00 0.00 H ATOM 88 H THR A 823 25.441 6.038 5.879 1.00 0.00 H ATOM 89 N GLY A 824 25.679 5.553 1.574 1.00 14.37 N ATOM 90 CA GLY A 824 25.823 6.384 0.405 1.00 14.15 C ATOM 91 C GLY A 824 24.464 6.625 -0.245 1.00 14.21 C ATOM 92 O GLY A 824 23.412 6.262 0.300 1.00 15.94 O ATOM 93 HA3 GLY A 824 26.481 5.889 -0.309 1.00 0.00 H ATOM 94 HA2 GLY A 824 26.258 7.341 0.695 1.00 0.00 H ATOM 95 H GLY A 824 25.519 4.533 1.449 1.00 0.00 H ATOM 96 N GLU A 825 24.482 7.270 -1.404 1.00 13.00 N ATOM 97 CA GLU A 825 23.240 7.801 -2.005 1.00 13.21 C ATOM 98 C GLU A 825 23.420 7.816 -3.507 1.00 13.05 C ATOM 99 O GLU A 825 24.468 8.291 -3.975 1.00 12.81 O ATOM 100 CB GLU A 825 23.012 9.265 -1.544 1.00 15.64 C ATOM 101 CG GLU A 825 21.691 9.857 -1.996 1.00 20.96 C ATOM 102 CD GLU A 825 20.491 9.301 -1.235 1.00 28.94 C ATOM 103 OE1 GLU A 825 20.648 8.359 -0.441 1.00 31.30 O ATOM 104 OE2 GLU A 825 19.375 9.794 -1.436 1.00 31.86 O ATOM 105 HA GLU A 825 22.395 7.182 -1.704 1.00 0.00 H ATOM 106 HB2 GLU A 825 23.044 9.290 -0.455 1.00 0.00 H ATOM 107 HB3 GLU A 825 23.818 9.880 -1.944 1.00 0.00 H ATOM 108 HG2 GLU A 825 21.726 10.936 -1.848 1.00 0.00 H ATOM 109 HG3 GLU A 825 21.559 9.641 -3.056 1.00 0.00 H ATOM 110 H GLU A 825 25.387 7.405 -1.899 1.00 0.00 H ATOM 111 N ALA A 826 22.434 7.311 -4.244 1.00 10.85 N ATOM 112 CA ALA A 826 22.542 7.250 -5.704 1.00 11.58 C ATOM 113 C ALA A 826 21.157 7.409 -6.336 1.00 11.91 C ATOM 114 O ALA A 826 20.105 7.258 -5.638 1.00 13.56 O ATOM 115 CB ALA A 826 23.180 5.910 -6.148 1.00 12.06 C ATOM 116 HA ALA A 826 23.184 8.065 -6.040 1.00 0.00 H ATOM 117 HB1 ALA A 826 24.177 5.823 -5.716 1.00 0.00 H ATOM 118 HB2 ALA A 826 22.560 5.082 -5.804 1.00 0.00 H ATOM 119 HB3 ALA A 826 23.251 5.885 -7.235 1.00 0.00 H ATOM 120 H ALA A 826 21.575 6.955 -3.778 1.00 0.00 H ATOM 121 N ILE A 827 21.146 7.706 -7.632 1.00 10.77 N ATOM 122 CA ILE A 827 19.912 7.723 -8.413 1.00 11.52 C ATOM 123 C ILE A 827 20.046 6.737 -9.546 1.00 11.28 C ATOM 124 O ILE A 827 21.071 6.774 -10.253 1.00 12.88 O ATOM 125 CB ILE A 827 19.618 9.125 -9.013 1.00 13.00 C ATOM 126 CG1 ILE A 827 19.513 10.155 -7.890 1.00 15.18 C ATOM 127 CG2 ILE A 827 18.307 9.116 -9.866 1.00 13.24 C ATOM 128 CD1 ILE A 827 19.317 11.574 -8.352 1.00 19.36 C ATOM 129 HA ILE A 827 19.090 7.461 -7.747 1.00 0.00 H ATOM 130 HB ILE A 827 20.442 9.394 -9.674 1.00 0.00 H ATOM 131 HG12 ILE A 827 18.667 9.884 -7.259 1.00 0.00 H ATOM 132 HG13 ILE A 827 20.431 10.113 -7.304 1.00 0.00 H ATOM 133 HD11 ILE A 827 20.161 11.872 -8.975 1.00 0.00 H ATOM 134 HD12 ILE A 827 18.395 11.643 -8.930 1.00 0.00 H ATOM 135 HD13 ILE A 827 19.254 12.232 -7.485 1.00 0.00 H ATOM 136 HG21 ILE A 827 18.412 8.404 -10.684 1.00 0.00 H ATOM 137 HG22 ILE A 827 17.467 8.825 -9.235 1.00 0.00 H ATOM 138 HG23 ILE A 827 18.132 10.113 -10.271 1.00 0.00 H ATOM 139 H ILE A 827 22.044 7.933 -8.104 1.00 0.00 H ATOM 140 N ALA A 828 19.024 5.888 -9.764 1.00 11.32 N ATOM 141 CA ALA A 828 19.046 4.917 -10.868 1.00 10.93 C ATOM 142 C ALA A 828 19.116 5.642 -12.204 1.00 12.16 C ATOM 143 O ALA A 828 18.269 6.506 -12.489 1.00 12.91 O ATOM 144 CB ALA A 828 17.839 4.004 -10.810 1.00 12.83 C ATOM 145 HA ALA A 828 19.936 4.296 -10.765 1.00 0.00 H ATOM 146 HB1 ALA A 828 17.841 3.461 -9.865 1.00 0.00 H ATOM 147 HB2 ALA A 828 16.930 4.601 -10.886 1.00 0.00 H ATOM 148 HB3 ALA A 828 17.880 3.296 -11.638 1.00 0.00 H ATOM 149 H ALA A 828 18.197 5.920 -9.135 1.00 0.00 H ATOM 150 N LYS A 829 20.098 5.279 -13.033 1.00 12.06 N ATOM 151 CA LYS A 829 20.267 5.896 -14.344 1.00 12.67 C ATOM 152 C LYS A 829 19.310 5.254 -15.357 1.00 13.03 C ATOM 153 O LYS A 829 18.884 5.917 -16.312 1.00 13.46 O ATOM 154 CB LYS A 829 21.688 5.660 -14.847 1.00 12.52 C ATOM 155 CG LYS A 829 22.673 6.618 -14.332 1.00 12.84 C ATOM 156 CD LYS A 829 23.992 6.408 -15.076 1.00 17.52 C ATOM 157 CE LYS A 829 25.082 7.103 -14.348 1.00 21.85 C ATOM 158 NZ LYS A 829 26.334 6.957 -15.121 1.00 26.96 N ATOM 159 HA LYS A 829 20.062 6.962 -14.246 1.00 0.00 H ATOM 160 HB2 LYS A 829 21.995 4.658 -14.547 1.00 0.00 H ATOM 161 HB3 LYS A 829 21.682 5.727 -15.935 1.00 0.00 H ATOM 162 HG2 LYS A 829 22.317 7.635 -14.495 1.00 0.00 H ATOM 163 HG3 LYS A 829 22.823 6.454 -13.265 1.00 0.00 H ATOM 164 HD2 LYS A 829 24.213 5.342 -15.132 1.00 0.00 H ATOM 165 HD3 LYS A 829 23.910 6.814 -16.084 1.00 0.00 H ATOM 166 HE2 LYS A 829 25.206 6.659 -13.360 1.00 0.00 H ATOM 167 HE3 LYS A 829 24.837 8.160 -14.241 1.00 0.00 H ATOM 168 HZ1 LYS A 829 26.562 5.947 -15.221 1.00 0.00 H ATOM 169 HZ2 LYS A 829 26.210 7.381 -16.063 1.00 0.00 H ATOM 170 HZ3 LYS A 829 27.107 7.440 -14.621 1.00 0.00 H ATOM 171 H LYS A 829 20.761 4.535 -12.735 1.00 0.00 H ATOM 172 N PHE A 830 19.029 3.952 -15.175 1.00 12.25 N ATOM 173 CA PHE A 830 18.277 3.145 -16.115 1.00 13.36 C ATOM 174 C PHE A 830 17.452 2.138 -15.291 1.00 13.61 C ATOM 175 O PHE A 830 17.763 1.909 -14.098 1.00 14.58 O ATOM 176 CB PHE A 830 19.190 2.314 -17.007 1.00 13.55 C ATOM 177 CG PHE A 830 20.296 3.079 -17.620 1.00 15.26 C ATOM 178 CD1 PHE A 830 20.065 3.859 -18.757 1.00 18.54 C ATOM 179 CD2 PHE A 830 21.583 3.000 -17.096 1.00 16.41 C ATOM 180 CE1 PHE A 830 21.107 4.601 -19.358 1.00 19.07 C ATOM 181 CE2 PHE A 830 22.638 3.726 -17.664 1.00 17.99 C ATOM 182 CZ PHE A 830 22.402 4.523 -18.820 1.00 18.93 C ATOM 183 HA PHE A 830 17.674 3.810 -16.734 1.00 0.00 H ATOM 184 HB2 PHE A 830 19.620 1.513 -16.405 1.00 0.00 H ATOM 185 HB3 PHE A 830 18.588 1.883 -17.807 1.00 0.00 H ATOM 186 HD2 PHE A 830 21.773 2.364 -16.231 1.00 0.00 H ATOM 187 HE2 PHE A 830 23.634 3.681 -17.223 1.00 0.00 H ATOM 188 HZ PHE A 830 23.222 5.070 -19.285 1.00 0.00 H ATOM 189 HE1 PHE A 830 20.908 5.226 -20.228 1.00 0.00 H ATOM 190 HD1 PHE A 830 19.064 3.896 -19.187 1.00 0.00 H ATOM 191 H PHE A 830 19.373 3.496 -14.306 1.00 0.00 H ATOM 192 N ASN A 831 16.450 1.519 -15.923 1.00 13.69 N ATOM 193 CA ASN A 831 15.811 0.328 -15.315 1.00 14.09 C ATOM 194 C ASN A 831 16.865 -0.748 -15.202 1.00 13.89 C ATOM 195 O ASN A 831 17.668 -0.927 -16.133 1.00 15.96 O ATOM 196 CB ASN A 831 14.684 -0.252 -16.186 1.00 13.81 C ATOM 197 CG ASN A 831 13.555 0.679 -16.397 1.00 17.17 C ATOM 198 OD1 ASN A 831 13.372 1.668 -15.681 1.00 18.73 O ATOM 199 ND2 ASN A 831 12.735 0.348 -17.361 1.00 21.93 N ATOM 200 HA ASN A 831 15.390 0.632 -14.357 1.00 0.00 H ATOM 201 HB2 ASN A 831 15.101 -0.514 -17.159 1.00 0.00 H ATOM 202 HB3 ASN A 831 14.303 -1.151 -15.702 1.00 0.00 H ATOM 203 HD22 ASN A 831 12.927 -0.494 -17.941 1.00 0.00 H ATOM 204 HD21 ASN A 831 11.891 0.927 -17.548 1.00 0.00 H ATOM 205 H ASN A 831 16.118 1.874 -16.843 1.00 0.00 H ATOM 206 N PHE A 832 16.834 -1.503 -14.104 1.00 12.73 N ATOM 207 CA PHE A 832 17.737 -2.618 -13.927 1.00 11.55 C ATOM 208 C PHE A 832 16.905 -3.794 -13.580 1.00 12.32 C ATOM 209 O PHE A 832 16.215 -3.784 -12.579 1.00 11.37 O ATOM 210 CB PHE A 832 18.832 -2.379 -12.864 1.00 11.47 C ATOM 211 CG PHE A 832 19.633 -3.624 -12.532 1.00 11.08 C ATOM 212 CD1 PHE A 832 20.360 -4.299 -13.532 1.00 10.24 C ATOM 213 CD2 PHE A 832 19.635 -4.147 -11.230 1.00 9.65 C ATOM 214 CE1 PHE A 832 21.058 -5.492 -13.232 1.00 10.80 C ATOM 215 CE2 PHE A 832 20.355 -5.315 -10.923 1.00 11.25 C ATOM 216 CZ PHE A 832 21.073 -5.993 -11.912 1.00 12.38 C ATOM 217 HA PHE A 832 18.290 -2.771 -14.854 1.00 0.00 H ATOM 218 HB2 PHE A 832 19.516 -1.617 -13.238 1.00 0.00 H ATOM 219 HB3 PHE A 832 18.355 -2.021 -11.951 1.00 0.00 H ATOM 220 HD2 PHE A 832 19.071 -3.641 -10.446 1.00 0.00 H ATOM 221 HE2 PHE A 832 20.353 -5.696 -9.902 1.00 0.00 H ATOM 222 HZ PHE A 832 21.636 -6.894 -11.668 1.00 0.00 H ATOM 223 HE1 PHE A 832 21.586 -6.026 -14.022 1.00 0.00 H ATOM 224 HD1 PHE A 832 20.385 -3.899 -14.545 1.00 0.00 H ATOM 225 H PHE A 832 16.144 -1.285 -13.357 1.00 0.00 H ATOM 226 N ASN A 833 16.918 -4.791 -14.469 1.00 14.31 N ATOM 227 CA ASN A 833 16.221 -6.057 -14.262 1.00 15.28 C ATOM 228 C ASN A 833 17.276 -7.084 -13.839 1.00 15.61 C ATOM 229 O ASN A 833 18.036 -7.609 -14.673 1.00 16.52 O ATOM 230 CB ASN A 833 15.484 -6.484 -15.550 1.00 16.86 C ATOM 231 CG ASN A 833 14.689 -7.791 -15.371 1.00 22.00 C ATOM 232 OD1 ASN A 833 14.103 -8.030 -14.304 1.00 24.27 O ATOM 233 ND2 ASN A 833 14.663 -8.636 -16.414 1.00 24.59 N ATOM 234 HA ASN A 833 15.459 -5.969 -13.488 1.00 0.00 H ATOM 235 HB2 ASN A 833 14.793 -5.691 -15.837 1.00 0.00 H ATOM 236 HB3 ASN A 833 16.219 -6.628 -16.342 1.00 0.00 H ATOM 237 HD22 ASN A 833 15.169 -8.396 -17.290 1.00 0.00 H ATOM 238 HD21 ASN A 833 14.137 -9.531 -16.345 1.00 0.00 H ATOM 239 H ASN A 833 17.451 -4.659 -15.352 1.00 0.00 H ATOM 240 N GLY A 834 17.339 -7.348 -12.536 1.00 14.71 N ATOM 241 CA GLY A 834 18.234 -8.361 -12.002 1.00 15.68 C ATOM 242 C GLY A 834 17.804 -9.757 -12.326 1.00 16.58 C ATOM 243 O GLY A 834 16.618 -10.023 -12.375 1.00 17.59 O ATOM 244 HA3 GLY A 834 18.273 -8.253 -10.918 1.00 0.00 H ATOM 245 HA2 GLY A 834 19.228 -8.199 -12.418 1.00 0.00 H ATOM 246 H GLY A 834 16.731 -6.815 -11.882 1.00 0.00 H ATOM 247 N ASP A 835 18.755 -10.649 -12.579 1.00 18.37 N ATOM 248 CA ASP A 835 18.406 -12.025 -12.988 1.00 20.05 C ATOM 249 C ASP A 835 17.923 -12.870 -11.801 1.00 21.72 C ATOM 250 O ASP A 835 17.061 -13.718 -11.972 1.00 23.38 O ATOM 251 CB ASP A 835 19.553 -12.719 -13.759 1.00 21.29 C ATOM 252 CG ASP A 835 19.826 -12.087 -15.198 1.00 23.73 C ATOM 253 OD1 ASP A 835 18.970 -11.312 -15.699 1.00 29.66 O ATOM 254 OD2 ASP A 835 20.879 -12.389 -15.843 1.00 26.64 O ATOM 255 HA ASP A 835 17.571 -11.940 -13.683 1.00 0.00 H ATOM 256 HB2 ASP A 835 20.465 -12.638 -13.168 1.00 0.00 H ATOM 257 HB3 ASP A 835 19.296 -13.771 -13.887 1.00 0.00 H ATOM 258 H ASP A 835 19.755 -10.376 -12.488 1.00 0.00 H ATOM 259 N THR A 836 18.491 -12.658 -10.611 1.00 21.35 N ATOM 260 CA THR A 836 18.152 -13.486 -9.441 1.00 22.97 C ATOM 261 C THR A 836 17.731 -12.643 -8.221 1.00 23.11 C ATOM 262 O THR A 836 17.756 -11.392 -8.277 1.00 21.83 O ATOM 263 CB THR A 836 19.347 -14.355 -9.049 1.00 22.70 C ATOM 264 OG1 THR A 836 20.298 -13.548 -8.359 1.00 24.01 O ATOM 265 CG2 THR A 836 19.983 -14.921 -10.290 1.00 24.58 C ATOM 266 HA THR A 836 17.304 -14.106 -9.732 1.00 0.00 H ATOM 267 HB THR A 836 19.016 -15.171 -8.407 1.00 0.00 H ATOM 268 HG1 THR A 836 20.598 -12.814 -8.951 1.00 0.00 H ATOM 269 HG23 THR A 836 19.257 -15.539 -10.819 1.00 0.00 H ATOM 270 HG21 THR A 836 20.307 -14.105 -10.936 1.00 0.00 H ATOM 271 HG22 THR A 836 20.844 -15.528 -10.011 1.00 0.00 H ATOM 272 H THR A 836 19.187 -11.892 -10.508 1.00 0.00 H ATOM 273 N GLN A 837 17.390 -13.325 -7.130 1.00 23.51 N ATOM 274 CA GLN A 837 16.965 -12.677 -5.869 1.00 25.36 C ATOM 275 C GLN A 837 18.096 -11.897 -5.193 1.00 23.77 C ATOM 276 O GLN A 837 17.849 -11.098 -4.297 1.00 22.99 O ATOM 277 CB GLN A 837 16.414 -13.727 -4.857 1.00 27.48 C ATOM 278 CG GLN A 837 15.505 -14.839 -5.450 1.00 35.87 C ATOM 279 CD GLN A 837 14.215 -15.092 -4.625 1.00 47.02 C ATOM 280 OE1 GLN A 837 13.674 -14.160 -4.014 1.00 52.75 O ATOM 281 NE2 GLN A 837 13.713 -16.341 -4.625 1.00 47.92 N ATOM 282 HA GLN A 837 16.180 -11.974 -6.148 1.00 0.00 H ATOM 283 HB2 GLN A 837 17.267 -14.212 -4.383 1.00 0.00 H ATOM 284 HB3 GLN A 837 15.837 -13.192 -4.103 1.00 0.00 H ATOM 285 HG2 GLN A 837 15.217 -14.547 -6.460 1.00 0.00 H ATOM 286 HG3 GLN A 837 16.076 -15.766 -5.490 1.00 0.00 H ATOM 287 HE22 GLN A 837 14.198 -17.096 -5.151 1.00 0.00 H ATOM 288 HE21 GLN A 837 12.841 -16.551 -4.099 1.00 0.00 H ATOM 289 H GLN A 837 17.424 -14.364 -7.165 1.00 0.00 H ATOM 290 N VAL A 838 19.338 -12.150 -5.606 1.00 22.40 N ATOM 291 CA VAL A 838 20.502 -11.535 -5.002 1.00 19.57 C ATOM 292 C VAL A 838 20.604 -10.081 -5.496 1.00 17.56 C ATOM 293 O VAL A 838 21.047 -9.181 -4.747 1.00 15.00 O ATOM 294 CB VAL A 838 21.750 -12.356 -5.324 1.00 21.21 C ATOM 295 CG1 VAL A 838 23.023 -11.686 -4.845 1.00 19.68 C ATOM 296 CG2 VAL A 838 21.611 -13.712 -4.684 1.00 24.31 C ATOM 297 HA VAL A 838 20.411 -11.515 -3.916 1.00 0.00 H ATOM 298 HB VAL A 838 21.829 -12.446 -6.407 1.00 0.00 H ATOM 299 HG11 VAL A 838 23.125 -10.714 -5.329 1.00 0.00 H ATOM 300 HG12 VAL A 838 22.977 -11.552 -3.764 1.00 0.00 H ATOM 301 HG13 VAL A 838 23.879 -12.311 -5.099 1.00 0.00 H ATOM 302 HG21 VAL A 838 21.511 -13.595 -3.605 1.00 0.00 H ATOM 303 HG22 VAL A 838 20.726 -14.210 -5.080 1.00 0.00 H ATOM 304 HG23 VAL A 838 22.495 -14.309 -4.906 1.00 0.00 H ATOM 305 H VAL A 838 19.477 -12.815 -6.393 1.00 0.00 H ATOM 306 N GLU A 839 20.180 -9.888 -6.753 1.00 15.31 N ATOM 307 CA GLU A 839 20.160 -8.570 -7.402 1.00 14.61 C ATOM 308 C GLU A 839 18.904 -7.807 -6.988 1.00 13.59 C ATOM 309 O GLU A 839 17.851 -8.408 -6.766 1.00 14.87 O ATOM 310 CB GLU A 839 20.241 -8.702 -8.932 1.00 14.95 C ATOM 311 CG GLU A 839 21.623 -9.164 -9.480 1.00 19.05 C ATOM 312 CD GLU A 839 21.814 -10.651 -9.409 1.00 24.11 C ATOM 313 OE1 GLU A 839 20.870 -11.418 -9.686 1.00 25.54 O ATOM 314 OE2 GLU A 839 22.923 -11.100 -9.078 1.00 30.08 O ATOM 315 HA GLU A 839 21.036 -8.010 -7.075 1.00 0.00 H ATOM 316 HB2 GLU A 839 19.492 -9.427 -9.249 1.00 0.00 H ATOM 317 HB3 GLU A 839 20.012 -7.730 -9.368 1.00 0.00 H ATOM 318 HG2 GLU A 839 21.706 -8.852 -10.521 1.00 0.00 H ATOM 319 HG3 GLU A 839 22.407 -8.684 -8.894 1.00 0.00 H ATOM 320 H GLU A 839 19.849 -10.711 -7.295 1.00 0.00 H ATOM 321 N MET A 840 19.013 -6.483 -6.852 1.00 11.61 N ATOM 322 CA MET A 840 17.850 -5.692 -6.560 1.00 11.72 C ATOM 323 C MET A 840 17.452 -4.968 -7.851 1.00 11.28 C ATOM 324 O MET A 840 18.202 -4.087 -8.337 1.00 11.32 O ATOM 325 CB MET A 840 18.147 -4.692 -5.447 1.00 12.18 C ATOM 326 CG MET A 840 16.950 -3.760 -5.181 1.00 11.44 C ATOM 327 SD MET A 840 17.230 -2.557 -3.884 1.00 13.14 S ATOM 328 CE MET A 840 18.411 -1.493 -4.677 1.00 17.67 C ATOM 329 HA MET A 840 17.033 -6.325 -6.213 1.00 0.00 H ATOM 330 HB2 MET A 840 18.378 -5.239 -4.533 1.00 0.00 H ATOM 331 HB3 MET A 840 19.007 -4.088 -5.735 1.00 0.00 H ATOM 332 HG2 MET A 840 16.094 -4.374 -4.899 1.00 0.00 H ATOM 333 HG3 MET A 840 16.723 -3.223 -6.102 1.00 0.00 H ATOM 334 HE1 MET A 840 19.298 -2.069 -4.940 1.00 0.00 H ATOM 335 HE2 MET A 840 17.969 -1.071 -5.580 1.00 0.00 H ATOM 336 HE3 MET A 840 18.688 -0.688 -3.996 1.00 0.00 H ATOM 337 H MET A 840 19.940 -6.024 -6.958 1.00 0.00 H ATOM 338 N SER A 841 16.286 -5.301 -8.387 1.00 11.16 N ATOM 339 CA SER A 841 15.819 -4.628 -9.576 1.00 10.48 C ATOM 340 C SER A 841 15.303 -3.263 -9.224 1.00 10.47 C ATOM 341 O SER A 841 14.835 -3.034 -8.110 1.00 10.38 O ATOM 342 CB SER A 841 14.703 -5.429 -10.256 1.00 10.16 C ATOM 343 OG SER A 841 15.223 -6.670 -10.711 1.00 13.13 O ATOM 344 HA SER A 841 16.659 -4.539 -10.265 1.00 0.00 H ATOM 345 HB2 SER A 841 14.314 -4.864 -11.104 1.00 0.00 H ATOM 346 HB3 SER A 841 13.899 -5.611 -9.543 1.00 0.00 H ATOM 347 HG SER A 841 15.575 -7.181 -9.940 1.00 0.00 H ATOM 348 H SER A 841 15.708 -6.047 -7.951 1.00 0.00 H ATOM 349 N PHE A 842 15.355 -2.350 -10.191 1.00 11.46 N ATOM 350 CA PHE A 842 14.805 -0.991 -9.975 1.00 11.76 C ATOM 351 C PHE A 842 14.476 -0.293 -11.271 1.00 10.95 C ATOM 352 O PHE A 842 14.745 -0.821 -12.340 1.00 12.06 O ATOM 353 CB PHE A 842 15.717 -0.124 -9.090 1.00 10.61 C ATOM 354 CG PHE A 842 17.143 -0.066 -9.562 1.00 11.04 C ATOM 355 CD1 PHE A 842 17.509 0.702 -10.674 1.00 10.78 C ATOM 356 CD2 PHE A 842 18.147 -0.781 -8.885 1.00 9.53 C ATOM 357 CE1 PHE A 842 18.862 0.744 -11.122 1.00 10.26 C ATOM 358 CE2 PHE A 842 19.479 -0.722 -9.281 1.00 9.27 C ATOM 359 CZ PHE A 842 19.842 0.052 -10.417 1.00 9.51 C ATOM 360 HA PHE A 842 13.868 -1.128 -9.435 1.00 0.00 H ATOM 361 HB2 PHE A 842 15.318 0.890 -9.075 1.00 0.00 H ATOM 362 HB3 PHE A 842 15.705 -0.533 -8.080 1.00 0.00 H ATOM 363 HD2 PHE A 842 17.874 -1.397 -8.028 1.00 0.00 H ATOM 364 HE2 PHE A 842 20.241 -1.267 -8.723 1.00 0.00 H ATOM 365 HZ PHE A 842 20.884 0.103 -10.734 1.00 0.00 H ATOM 366 HE1 PHE A 842 19.127 1.315 -12.012 1.00 0.00 H ATOM 367 HD1 PHE A 842 16.749 1.276 -11.205 1.00 0.00 H ATOM 368 H PHE A 842 15.785 -2.592 -11.106 1.00 0.00 H ATOM 369 N ARG A 843 13.834 0.869 -11.174 1.00 13.18 N ATOM 370 CA ARG A 843 13.455 1.628 -12.371 1.00 14.02 C ATOM 371 C ARG A 843 14.259 2.915 -12.404 1.00 13.76 C ATOM 372 O ARG A 843 14.659 3.444 -11.369 1.00 14.62 O ATOM 373 CB ARG A 843 11.926 1.897 -12.414 1.00 13.26 C ATOM 374 CG ARG A 843 11.109 0.603 -12.604 1.00 14.57 C ATOM 375 CD ARG A 843 9.596 0.845 -12.513 1.00 20.05 C ATOM 376 NE ARG A 843 9.080 1.763 -13.530 1.00 31.39 N ATOM 377 CZ ARG A 843 8.619 1.404 -14.731 1.00 33.87 C ATOM 378 NH1 ARG A 843 8.541 0.118 -15.105 1.00 35.96 N ATOM 379 NH2 ARG A 843 8.224 2.350 -15.560 1.00 38.04 N ATOM 380 HA ARG A 843 13.683 1.043 -13.262 1.00 0.00 H ATOM 381 HB2 ARG A 843 11.626 2.367 -11.477 1.00 0.00 H ATOM 382 HB3 ARG A 843 11.712 2.572 -13.243 1.00 0.00 H ATOM 383 HG2 ARG A 843 11.338 0.185 -13.584 1.00 0.00 H ATOM 384 HG3 ARG A 843 11.397 -0.109 -11.831 1.00 0.00 H ATOM 385 HD2 ARG A 843 9.373 1.261 -11.530 1.00 0.00 H ATOM 386 HD3 ARG A 843 9.088 -0.113 -12.625 1.00 0.00 H ATOM 387 HE ARG A 843 9.072 2.777 -13.299 1.00 0.00 H ATOM 388 HH12 ARG A 843 8.177 -0.128 -16.048 1.00 0.00 H ATOM 389 HH11 ARG A 843 8.844 -0.633 -14.452 1.00 0.00 H ATOM 390 HH22 ARG A 843 7.861 2.098 -16.501 1.00 0.00 H ATOM 391 HH21 ARG A 843 8.276 3.348 -15.273 1.00 0.00 H ATOM 392 H ARG A 843 13.597 1.245 -10.234 1.00 0.00 H ATOM 393 N LYS A 844 14.474 3.413 -13.604 1.00 13.67 N ATOM 394 CA LYS A 844 15.145 4.683 -13.797 1.00 14.46 C ATOM 395 C LYS A 844 14.581 5.746 -12.872 1.00 14.87 C ATOM 396 O LYS A 844 13.324 5.880 -12.709 1.00 15.50 O ATOM 397 CB LYS A 844 14.915 5.081 -15.248 1.00 15.25 C ATOM 398 CG LYS A 844 15.616 6.306 -15.743 1.00 18.44 C ATOM 399 CD LYS A 844 15.323 6.465 -17.236 1.00 24.04 C ATOM 400 CE LYS A 844 16.312 7.420 -17.935 1.00 29.58 C ATOM 401 NZ LYS A 844 17.498 6.762 -18.704 1.00 27.81 N ATOM 402 HA LYS A 844 16.207 4.591 -13.570 1.00 0.00 H ATOM 403 HB2 LYS A 844 15.235 4.246 -15.871 1.00 0.00 H ATOM 404 HB3 LYS A 844 13.845 5.241 -15.378 1.00 0.00 H ATOM 405 HG2 LYS A 844 15.254 7.180 -15.202 1.00 0.00 H ATOM 406 HG3 LYS A 844 16.690 6.203 -15.588 1.00 0.00 H ATOM 407 HD2 LYS A 844 15.387 5.486 -17.711 1.00 0.00 H ATOM 408 HD3 LYS A 844 14.314 6.859 -17.354 1.00 0.00 H ATOM 409 HE2 LYS A 844 16.735 8.074 -17.172 1.00 0.00 H ATOM 410 HE3 LYS A 844 15.746 8.017 -18.650 1.00 0.00 H ATOM 411 HZ1 LYS A 844 18.069 6.199 -18.042 1.00 0.00 H ATOM 412 HZ2 LYS A 844 17.124 6.145 -19.453 1.00 0.00 H ATOM 413 HZ3 LYS A 844 18.089 7.505 -19.128 1.00 0.00 H ATOM 414 H LYS A 844 14.153 2.880 -14.437 1.00 0.00 H ATOM 415 N GLY A 845 15.464 6.504 -12.259 1.00 13.59 N ATOM 416 CA GLY A 845 15.013 7.626 -11.455 1.00 14.83 C ATOM 417 C GLY A 845 14.737 7.324 -9.992 1.00 14.64 C ATOM 418 O GLY A 845 14.594 8.238 -9.196 1.00 16.18 O ATOM 419 HA3 GLY A 845 14.092 8.006 -11.898 1.00 0.00 H ATOM 420 HA2 GLY A 845 15.781 8.398 -11.498 1.00 0.00 H ATOM 421 H GLY A 845 16.480 6.301 -12.350 1.00 0.00 H ATOM 422 N GLU A 846 14.721 6.043 -9.605 1.00 14.03 N ATOM 423 CA GLU A 846 14.569 5.723 -8.178 1.00 12.80 C ATOM 424 C GLU A 846 15.807 6.099 -7.365 1.00 12.11 C ATOM 425 O GLU A 846 16.975 5.945 -7.809 1.00 11.83 O ATOM 426 CB GLU A 846 14.312 4.242 -8.015 1.00 13.51 C ATOM 427 CG GLU A 846 12.925 3.775 -8.487 1.00 12.86 C ATOM 428 CD GLU A 846 12.574 2.454 -7.855 1.00 13.93 C ATOM 429 OE1 GLU A 846 12.229 2.492 -6.667 1.00 17.79 O ATOM 430 OE2 GLU A 846 12.636 1.402 -8.541 1.00 13.79 O ATOM 431 HA GLU A 846 13.728 6.307 -7.804 1.00 0.00 H ATOM 432 HB2 GLU A 846 15.066 3.701 -8.587 1.00 0.00 H ATOM 433 HB3 GLU A 846 14.413 3.994 -6.958 1.00 0.00 H ATOM 434 HG2 GLU A 846 12.180 4.518 -8.204 1.00 0.00 H ATOM 435 HG3 GLU A 846 12.933 3.664 -9.571 1.00 0.00 H ATOM 436 H GLU A 846 14.815 5.281 -10.307 1.00 0.00 H ATOM 437 N ARG A 847 15.568 6.614 -6.180 1.00 11.75 N ATOM 438 CA ARG A 847 16.658 6.866 -5.262 1.00 13.00 C ATOM 439 C ARG A 847 17.075 5.551 -4.620 1.00 12.21 C ATOM 440 O ARG A 847 16.233 4.671 -4.367 1.00 14.09 O ATOM 441 CB ARG A 847 16.206 7.809 -4.166 1.00 12.66 C ATOM 442 CG ARG A 847 17.341 8.578 -3.618 1.00 16.30 C ATOM 443 CD ARG A 847 17.555 9.816 -4.466 1.00 16.77 C ATOM 444 NE ARG A 847 17.876 10.773 -3.474 1.00 20.18 N ATOM 445 CZ ARG A 847 17.215 11.870 -3.167 1.00 17.81 C ATOM 446 NH1 ARG A 847 16.176 12.319 -3.856 1.00 18.10 N ATOM 447 NH2 ARG A 847 17.687 12.562 -2.164 1.00 23.08 N ATOM 448 HA ARG A 847 17.490 7.311 -5.809 1.00 0.00 H ATOM 449 HB2 ARG A 847 15.471 8.503 -4.575 1.00 0.00 H ATOM 450 HB3 ARG A 847 15.750 7.229 -3.364 1.00 0.00 H ATOM 451 HG2 ARG A 847 17.122 8.871 -2.591 1.00 0.00 H ATOM 452 HG3 ARG A 847 18.241 7.963 -3.635 1.00 0.00 H ATOM 453 HD2 ARG A 847 16.651 10.090 -5.009 1.00 0.00 H ATOM 454 HD3 ARG A 847 18.374 9.681 -5.172 1.00 0.00 H ATOM 455 HE ARG A 847 18.737 10.588 -2.921 1.00 0.00 H ATOM 456 HH12 ARG A 847 15.696 13.193 -3.562 1.00 0.00 H ATOM 457 HH11 ARG A 847 15.841 11.797 -4.691 1.00 0.00 H ATOM 458 HH22 ARG A 847 17.213 13.439 -1.869 1.00 0.00 H ATOM 459 HH21 ARG A 847 18.537 12.235 -1.661 1.00 0.00 H ATOM 460 H ARG A 847 14.592 6.841 -5.901 1.00 0.00 H ATOM 461 N ILE A 848 18.374 5.423 -4.360 1.00 12.36 N ATOM 462 CA ILE A 848 18.910 4.224 -3.746 1.00 11.61 C ATOM 463 C ILE A 848 19.876 4.619 -2.650 1.00 11.02 C ATOM 464 O ILE A 848 20.770 5.507 -2.835 1.00 12.95 O ATOM 465 CB ILE A 848 19.648 3.299 -4.798 1.00 10.09 C ATOM 466 CG1 ILE A 848 18.717 2.964 -5.999 1.00 11.39 C ATOM 467 CG2 ILE A 848 20.275 2.028 -4.098 1.00 11.28 C ATOM 468 CD1 ILE A 848 19.475 2.263 -7.133 1.00 14.25 C ATOM 469 HA ILE A 848 18.078 3.653 -3.334 1.00 0.00 H ATOM 470 HB ILE A 848 20.490 3.848 -5.221 1.00 0.00 H ATOM 471 HG12 ILE A 848 17.917 2.310 -5.653 1.00 0.00 H ATOM 472 HG13 ILE A 848 18.288 3.890 -6.382 1.00 0.00 H ATOM 473 HD11 ILE A 848 20.274 2.913 -7.491 1.00 0.00 H ATOM 474 HD12 ILE A 848 19.902 1.331 -6.761 1.00 0.00 H ATOM 475 HD13 ILE A 848 18.786 2.048 -7.950 1.00 0.00 H ATOM 476 HG21 ILE A 848 20.997 2.348 -3.347 1.00 0.00 H ATOM 477 HG22 ILE A 848 19.484 1.451 -3.620 1.00 0.00 H ATOM 478 HG23 ILE A 848 20.775 1.412 -4.846 1.00 0.00 H ATOM 479 H ILE A 848 19.020 6.201 -4.603 1.00 0.00 H ATOM 480 N THR A 849 19.709 3.951 -1.510 1.00 11.08 N ATOM 481 CA THR A 849 20.638 4.055 -0.393 1.00 11.32 C ATOM 482 C THR A 849 21.764 3.044 -0.622 1.00 11.26 C ATOM 483 O THR A 849 21.515 1.833 -0.702 1.00 10.34 O ATOM 484 CB THR A 849 19.935 3.721 0.928 1.00 11.27 C ATOM 485 OG1 THR A 849 18.912 4.689 1.166 1.00 16.73 O ATOM 486 CG2 THR A 849 20.951 3.747 2.081 1.00 15.08 C ATOM 487 HA THR A 849 21.024 5.073 -0.334 1.00 0.00 H ATOM 488 HB THR A 849 19.495 2.726 0.868 1.00 0.00 H ATOM 489 HG1 THR A 849 18.453 4.480 2.018 1.00 0.00 H ATOM 490 HG23 THR A 849 21.729 3.007 1.895 1.00 0.00 H ATOM 491 HG21 THR A 849 21.399 4.739 2.146 1.00 0.00 H ATOM 492 HG22 THR A 849 20.443 3.514 3.017 1.00 0.00 H ATOM 493 H THR A 849 18.881 3.329 -1.413 1.00 0.00 H ATOM 494 N LEU A 850 22.985 3.544 -0.745 1.00 10.35 N ATOM 495 CA LEU A 850 24.119 2.633 -0.972 1.00 11.57 C ATOM 496 C LEU A 850 24.622 2.103 0.379 1.00 12.08 C ATOM 497 O LEU A 850 24.880 2.851 1.303 1.00 12.99 O ATOM 498 CB LEU A 850 25.251 3.327 -1.745 1.00 11.40 C ATOM 499 CG LEU A 850 24.885 3.897 -3.114 1.00 9.96 C ATOM 500 CD1 LEU A 850 26.112 4.633 -3.726 1.00 10.59 C ATOM 501 CD2 LEU A 850 24.287 2.822 -4.092 1.00 11.46 C ATOM 502 HA LEU A 850 23.780 1.797 -1.584 1.00 0.00 H ATOM 503 HB2 LEU A 850 25.618 4.149 -1.130 1.00 0.00 H ATOM 504 HB3 LEU A 850 26.049 2.599 -1.891 1.00 0.00 H ATOM 505 HG LEU A 850 24.083 4.620 -2.966 1.00 0.00 H ATOM 506 HD21 LEU A 850 25.018 2.029 -4.249 1.00 0.00 H ATOM 507 HD22 LEU A 850 23.381 2.401 -3.657 1.00 0.00 H ATOM 508 HD23 LEU A 850 24.049 3.293 -5.046 1.00 0.00 H ATOM 509 HD11 LEU A 850 26.413 5.446 -3.066 1.00 0.00 H ATOM 510 HD12 LEU A 850 26.937 3.930 -3.837 1.00 0.00 H ATOM 511 HD13 LEU A 850 25.842 5.036 -4.702 1.00 0.00 H ATOM 512 H LEU A 850 23.141 4.570 -0.682 1.00 0.00 H ATOM 513 N LEU A 851 24.725 0.792 0.489 1.00 12.10 N ATOM 514 CA LEU A 851 25.171 0.172 1.729 1.00 12.94 C ATOM 515 C LEU A 851 26.621 -0.191 1.695 1.00 13.83 C ATOM 516 O LEU A 851 27.329 0.026 2.693 1.00 15.17 O ATOM 517 CB LEU A 851 24.371 -1.103 2.030 1.00 12.77 C ATOM 518 CG LEU A 851 22.858 -0.839 2.226 1.00 13.96 C ATOM 519 CD1 LEU A 851 22.137 -2.125 2.384 1.00 16.62 C ATOM 520 CD2 LEU A 851 22.577 0.067 3.461 1.00 14.31 C ATOM 521 HA LEU A 851 25.007 0.916 2.508 1.00 0.00 H ATOM 522 HB2 LEU A 851 24.498 -1.797 1.199 1.00 0.00 H ATOM 523 HB3 LEU A 851 24.766 -1.554 2.941 1.00 0.00 H ATOM 524 HG LEU A 851 22.502 -0.316 1.339 1.00 0.00 H ATOM 525 HD21 LEU A 851 22.957 -0.418 4.360 1.00 0.00 H ATOM 526 HD22 LEU A 851 23.075 1.027 3.327 1.00 0.00 H ATOM 527 HD23 LEU A 851 21.503 0.224 3.558 1.00 0.00 H ATOM 528 HD11 LEU A 851 22.283 -2.734 1.492 1.00 0.00 H ATOM 529 HD12 LEU A 851 22.526 -2.654 3.254 1.00 0.00 H ATOM 530 HD13 LEU A 851 21.074 -1.929 2.521 1.00 0.00 H ATOM 531 H LEU A 851 24.483 0.191 -0.324 1.00 0.00 H ATOM 532 N ARG A 852 27.066 -0.788 0.600 1.00 13.96 N ATOM 533 CA ARG A 852 28.481 -1.087 0.445 1.00 15.14 C ATOM 534 C ARG A 852 28.867 -1.195 -1.009 1.00 15.12 C ATOM 535 O ARG A 852 28.016 -1.440 -1.863 1.00 14.64 O ATOM 536 CB ARG A 852 28.889 -2.357 1.208 1.00 16.31 C ATOM 537 CG ARG A 852 28.545 -3.660 0.572 1.00 18.15 C ATOM 538 CD ARG A 852 28.908 -4.791 1.548 1.00 20.07 C ATOM 539 NE ARG A 852 30.269 -5.266 1.347 1.00 20.68 N ATOM 540 CZ ARG A 852 30.624 -6.543 1.219 1.00 19.69 C ATOM 541 NH1 ARG A 852 29.719 -7.516 1.308 1.00 20.42 N ATOM 542 NH2 ARG A 852 31.898 -6.845 1.015 1.00 21.02 N ATOM 543 HA ARG A 852 29.026 -0.250 0.881 1.00 0.00 H ATOM 544 HB2 ARG A 852 29.971 -2.330 1.341 1.00 0.00 H ATOM 545 HB3 ARG A 852 28.403 -2.327 2.183 1.00 0.00 H ATOM 546 HG2 ARG A 852 27.478 -3.692 0.353 1.00 0.00 H ATOM 547 HG3 ARG A 852 29.109 -3.778 -0.354 1.00 0.00 H ATOM 548 HD2 ARG A 852 28.219 -5.622 1.397 1.00 0.00 H ATOM 549 HD3 ARG A 852 28.811 -4.421 2.569 1.00 0.00 H ATOM 550 HE ARG A 852 31.024 -4.552 1.300 1.00 0.00 H ATOM 551 HH12 ARG A 852 30.011 -8.509 1.206 1.00 0.00 H ATOM 552 HH11 ARG A 852 28.720 -7.283 1.480 1.00 0.00 H ATOM 553 HH22 ARG A 852 32.187 -7.839 0.914 1.00 0.00 H ATOM 554 HH21 ARG A 852 32.609 -6.088 0.956 1.00 0.00 H ATOM 555 H ARG A 852 26.399 -1.045 -0.155 1.00 0.00 H ATOM 556 N GLN A 853 30.156 -1.003 -1.289 1.00 14.13 N ATOM 557 CA GLN A 853 30.683 -1.309 -2.617 1.00 15.00 C ATOM 558 C GLN A 853 31.400 -2.650 -2.540 1.00 14.66 C ATOM 559 O GLN A 853 32.465 -2.764 -1.908 1.00 16.67 O ATOM 560 CB GLN A 853 31.633 -0.229 -3.124 1.00 15.00 C ATOM 561 CG GLN A 853 31.994 -0.527 -4.547 1.00 16.44 C ATOM 562 CD GLN A 853 32.880 0.465 -5.160 1.00 21.46 C ATOM 563 OE1 GLN A 853 33.549 1.266 -4.481 1.00 21.07 O ATOM 564 NE2 GLN A 853 32.933 0.419 -6.479 1.00 23.77 N ATOM 565 HA GLN A 853 29.855 -1.351 -3.325 1.00 0.00 H ATOM 566 HB2 GLN A 853 31.145 0.744 -3.066 1.00 0.00 H ATOM 567 HB3 GLN A 853 32.535 -0.219 -2.512 1.00 0.00 H ATOM 568 HG2 GLN A 853 32.491 -1.496 -4.578 1.00 0.00 H ATOM 569 HG3 GLN A 853 31.075 -0.573 -5.131 1.00 0.00 H ATOM 570 HE22 GLN A 853 32.353 -0.270 -6.999 1.00 0.00 H ATOM 571 HE21 GLN A 853 33.555 1.072 -6.998 1.00 0.00 H ATOM 572 H GLN A 853 30.793 -0.632 -0.555 1.00 0.00 H ATOM 573 N VAL A 854 30.810 -3.651 -3.153 1.00 13.47 N ATOM 574 CA VAL A 854 31.205 -5.027 -3.034 1.00 15.33 C ATOM 575 C VAL A 854 32.527 -5.261 -3.778 1.00 16.08 C ATOM 576 O VAL A 854 33.452 -5.917 -3.265 1.00 17.38 O ATOM 577 CB VAL A 854 30.105 -5.965 -3.597 1.00 15.26 C ATOM 578 CG1 VAL A 854 30.594 -7.429 -3.543 1.00 17.83 C ATOM 579 CG2 VAL A 854 28.807 -5.794 -2.819 1.00 16.29 C ATOM 580 HA VAL A 854 31.344 -5.255 -1.977 1.00 0.00 H ATOM 581 HB VAL A 854 29.907 -5.701 -4.636 1.00 0.00 H ATOM 582 HG11 VAL A 854 31.499 -7.531 -4.142 1.00 0.00 H ATOM 583 HG12 VAL A 854 30.809 -7.701 -2.510 1.00 0.00 H ATOM 584 HG13 VAL A 854 29.819 -8.085 -3.939 1.00 0.00 H ATOM 585 HG21 VAL A 854 28.978 -6.038 -1.771 1.00 0.00 H ATOM 586 HG22 VAL A 854 28.468 -4.761 -2.902 1.00 0.00 H ATOM 587 HG23 VAL A 854 28.048 -6.460 -3.229 1.00 0.00 H ATOM 588 H VAL A 854 30.000 -3.432 -3.768 1.00 0.00 H ATOM 589 N ASP A 855 32.604 -4.723 -4.993 1.00 16.01 N ATOM 590 CA ASP A 855 33.834 -4.800 -5.776 1.00 15.15 C ATOM 591 C ASP A 855 33.844 -3.662 -6.789 1.00 14.64 C ATOM 592 O ASP A 855 33.098 -2.721 -6.610 1.00 16.49 O ATOM 593 CB ASP A 855 33.954 -6.163 -6.433 1.00 15.38 C ATOM 594 CG ASP A 855 32.931 -6.402 -7.535 1.00 14.58 C ATOM 595 OD1 ASP A 855 32.165 -5.486 -7.851 1.00 15.86 O ATOM 596 OD2 ASP A 855 32.911 -7.533 -8.075 1.00 15.20 O ATOM 597 HA ASP A 855 34.705 -4.687 -5.130 1.00 0.00 H ATOM 598 HB2 ASP A 855 34.951 -6.251 -6.864 1.00 0.00 H ATOM 599 HB3 ASP A 855 33.821 -6.928 -5.668 1.00 0.00 H ATOM 600 H ASP A 855 31.774 -4.240 -5.391 1.00 0.00 H ATOM 601 N GLU A 856 34.692 -3.731 -7.822 1.00 14.45 N ATOM 602 CA GLU A 856 34.826 -2.640 -8.788 1.00 13.89 C ATOM 603 C GLU A 856 33.563 -2.377 -9.607 1.00 13.90 C ATOM 604 O GLU A 856 33.425 -1.286 -10.175 1.00 15.65 O ATOM 605 CB GLU A 856 36.031 -2.881 -9.724 1.00 13.81 C ATOM 606 CG GLU A 856 35.802 -3.899 -10.882 1.00 14.98 C ATOM 607 CD GLU A 856 35.879 -5.362 -10.437 1.00 15.41 C ATOM 608 OE1 GLU A 856 35.963 -5.642 -9.225 1.00 18.65 O ATOM 609 OE2 GLU A 856 35.817 -6.247 -11.320 1.00 17.65 O ATOM 610 HA GLU A 856 34.996 -1.742 -8.195 1.00 0.00 H ATOM 611 HB2 GLU A 856 36.305 -1.924 -10.169 1.00 0.00 H ATOM 612 HB3 GLU A 856 36.858 -3.247 -9.116 1.00 0.00 H ATOM 613 HG2 GLU A 856 34.815 -3.720 -11.308 1.00 0.00 H ATOM 614 HG3 GLU A 856 36.562 -3.730 -11.645 1.00 0.00 H ATOM 615 H GLU A 856 35.273 -4.585 -7.942 1.00 0.00 H ATOM 616 N ASN A 857 32.674 -3.376 -9.673 1.00 11.65 N ATOM 617 CA ASN A 857 31.502 -3.324 -10.541 1.00 11.31 C ATOM 618 C ASN A 857 30.139 -3.279 -9.837 1.00 10.96 C ATOM 619 O ASN A 857 29.146 -2.998 -10.506 1.00 11.64 O ATOM 620 CB ASN A 857 31.508 -4.512 -11.527 1.00 12.44 C ATOM 621 CG ASN A 857 32.489 -4.314 -12.664 1.00 12.80 C ATOM 622 OD1 ASN A 857 32.872 -3.184 -12.995 1.00 15.38 O ATOM 623 ND2 ASN A 857 32.887 -5.386 -13.262 1.00 18.39 N ATOM 624 HA ASN A 857 31.602 -2.367 -11.053 1.00 0.00 H ATOM 625 HB2 ASN A 857 31.780 -5.417 -10.984 1.00 0.00 H ATOM 626 HB3 ASN A 857 30.507 -4.627 -11.944 1.00 0.00 H ATOM 627 HD22 ASN A 857 32.539 -6.315 -12.950 1.00 0.00 H ATOM 628 HD21 ASN A 857 33.556 -5.321 -14.056 1.00 0.00 H ATOM 629 H ASN A 857 32.824 -4.220 -9.084 1.00 0.00 H ATOM 630 N TRP A 858 30.070 -3.568 -8.533 1.00 9.23 N ATOM 631 CA TRP A 858 28.737 -3.787 -7.858 1.00 9.86 C ATOM 632 C TRP A 858 28.607 -3.085 -6.530 1.00 10.21 C ATOM 633 O TRP A 858 29.558 -3.149 -5.708 1.00 11.90 O ATOM 634 CB TRP A 858 28.488 -5.280 -7.620 1.00 9.33 C ATOM 635 CG TRP A 858 28.383 -6.075 -8.866 1.00 10.54 C ATOM 636 CD1 TRP A 858 29.400 -6.584 -9.586 1.00 10.66 C ATOM 637 CD2 TRP A 858 27.182 -6.454 -9.527 1.00 10.04 C ATOM 638 NE1 TRP A 858 28.901 -7.283 -10.692 1.00 11.69 N ATOM 639 CE2 TRP A 858 27.542 -7.188 -10.684 1.00 9.31 C ATOM 640 CE3 TRP A 858 25.821 -6.213 -9.272 1.00 11.42 C ATOM 641 CZ2 TRP A 858 26.581 -7.736 -11.574 1.00 10.99 C ATOM 642 CZ3 TRP A 858 24.854 -6.743 -10.161 1.00 10.53 C ATOM 643 CH2 TRP A 858 25.248 -7.477 -11.311 1.00 11.50 C ATOM 644 HA TRP A 858 28.001 -3.365 -8.542 1.00 0.00 H ATOM 645 HB2 TRP A 858 29.313 -5.676 -7.028 1.00 0.00 H ATOM 646 HB3 TRP A 858 27.557 -5.389 -7.063 1.00 0.00 H ATOM 647 HE1 TRP A 858 29.471 -7.789 -11.400 1.00 0.00 H ATOM 648 HD1 TRP A 858 30.457 -6.469 -9.344 1.00 0.00 H ATOM 649 HZ2 TRP A 858 26.882 -8.338 -12.432 1.00 0.00 H ATOM 650 HH2 TRP A 858 24.486 -7.843 -11.999 1.00 0.00 H ATOM 651 HZ3 TRP A 858 23.794 -6.585 -9.960 1.00 0.00 H ATOM 652 HE3 TRP A 858 25.515 -5.628 -8.405 1.00 0.00 H ATOM 653 H TRP A 858 30.946 -3.643 -7.977 1.00 0.00 H ATOM 654 N TYR A 859 27.447 -2.449 -6.310 1.00 8.94 N ATOM 655 CA TYR A 859 27.054 -1.996 -4.971 1.00 8.88 C ATOM 656 C TYR A 859 26.022 -2.920 -4.390 1.00 9.76 C ATOM 657 O TYR A 859 25.256 -3.542 -5.131 1.00 11.77 O ATOM 658 CB TYR A 859 26.377 -0.628 -5.028 1.00 10.37 C ATOM 659 CG TYR A 859 27.281 0.526 -5.311 1.00 12.94 C ATOM 660 CD1 TYR A 859 27.143 1.249 -6.501 1.00 13.54 C ATOM 661 CD2 TYR A 859 28.286 0.925 -4.391 1.00 13.10 C ATOM 662 CE1 TYR A 859 27.949 2.342 -6.760 1.00 14.14 C ATOM 663 CE2 TYR A 859 29.076 2.026 -4.651 1.00 15.04 C ATOM 664 CZ TYR A 859 28.912 2.705 -5.859 1.00 14.33 C ATOM 665 OH TYR A 859 29.740 3.776 -6.161 1.00 18.38 O ATOM 666 HA TYR A 859 27.966 -1.966 -4.375 1.00 0.00 H ATOM 667 HB3 TYR A 859 25.897 -0.450 -4.066 1.00 0.00 H ATOM 668 HB2 TYR A 859 25.619 -0.661 -5.810 1.00 0.00 H ATOM 669 HD2 TYR A 859 28.435 0.357 -3.472 1.00 0.00 H ATOM 670 HE2 TYR A 859 29.816 2.360 -3.924 1.00 0.00 H ATOM 671 HE1 TYR A 859 27.817 2.913 -7.679 1.00 0.00 H ATOM 672 HD1 TYR A 859 26.392 0.947 -7.231 1.00 0.00 H ATOM 673 HH TYR A 859 29.493 4.143 -7.047 1.00 0.00 H ATOM 674 H TYR A 859 26.808 -2.272 -7.111 1.00 0.00 H ATOM 675 N GLU A 860 25.931 -2.959 -3.060 1.00 10.80 N ATOM 676 CA GLU A 860 24.711 -3.427 -2.388 1.00 11.08 C ATOM 677 C GLU A 860 23.985 -2.185 -1.885 1.00 11.33 C ATOM 678 O GLU A 860 24.600 -1.250 -1.364 1.00 12.35 O ATOM 679 CB GLU A 860 25.049 -4.325 -1.203 1.00 11.88 C ATOM 680 CG GLU A 860 23.828 -4.903 -0.552 1.00 13.64 C ATOM 681 CD GLU A 860 24.076 -5.682 0.714 1.00 19.27 C ATOM 682 OE1 GLU A 860 25.150 -5.539 1.329 1.00 23.43 O ATOM 683 OE2 GLU A 860 23.149 -6.421 1.147 1.00 23.44 O ATOM 684 HA GLU A 860 24.099 -4.006 -3.079 1.00 0.00 H ATOM 685 HB2 GLU A 860 25.679 -5.143 -1.553 1.00 0.00 H ATOM 686 HB3 GLU A 860 25.595 -3.738 -0.464 1.00 0.00 H ATOM 687 HG2 GLU A 860 23.153 -4.081 -0.314 1.00 0.00 H ATOM 688 HG3 GLU A 860 23.349 -5.570 -1.269 1.00 0.00 H ATOM 689 H GLU A 860 26.742 -2.651 -2.486 1.00 0.00 H ATOM 690 N GLY A 861 22.670 -2.140 -2.065 1.00 10.64 N ATOM 691 CA GLY A 861 21.901 -0.961 -1.629 1.00 10.67 C ATOM 692 C GLY A 861 20.495 -1.360 -1.280 1.00 11.06 C ATOM 693 O GLY A 861 20.102 -2.547 -1.416 1.00 12.26 O ATOM 694 HA3 GLY A 861 21.878 -0.227 -2.435 1.00 0.00 H ATOM 695 HA2 GLY A 861 22.379 -0.522 -0.753 1.00 0.00 H ATOM 696 H GLY A 861 22.181 -2.940 -2.515 1.00 0.00 H ATOM 697 N ARG A 862 19.715 -0.376 -0.869 1.00 11.71 N ATOM 698 CA ARG A 862 18.311 -0.627 -0.498 1.00 13.41 C ATOM 699 C ARG A 862 17.472 0.606 -0.881 1.00 14.17 C ATOM 700 O ARG A 862 18.024 1.703 -1.027 1.00 14.96 O ATOM 701 CB ARG A 862 18.242 -0.988 1.003 1.00 14.00 C ATOM 702 CG ARG A 862 18.669 0.124 1.951 1.00 15.64 C ATOM 703 CD ARG A 862 18.475 -0.273 3.454 1.00 18.37 C ATOM 704 NE ARG A 862 18.935 0.822 4.348 1.00 22.55 N ATOM 705 CZ ARG A 862 19.686 0.673 5.444 1.00 22.19 C ATOM 706 NH1 ARG A 862 20.087 -0.532 5.868 1.00 25.56 N ATOM 707 NH2 ARG A 862 20.031 1.755 6.141 1.00 27.13 N ATOM 708 HA ARG A 862 17.893 -1.476 -1.040 1.00 0.00 H ATOM 709 HB2 ARG A 862 17.213 -1.258 1.239 1.00 0.00 H ATOM 710 HB3 ARG A 862 18.890 -1.847 1.175 1.00 0.00 H ATOM 711 HG2 ARG A 862 19.722 0.347 1.780 1.00 0.00 H ATOM 712 HG3 ARG A 862 18.072 1.012 1.742 1.00 0.00 H ATOM 713 HD2 ARG A 862 19.052 -1.174 3.664 1.00 0.00 H ATOM 714 HD3 ARG A 862 17.419 -0.468 3.640 1.00 0.00 H ATOM 715 HE ARG A 862 18.647 1.790 4.099 1.00 0.00 H ATOM 716 HH12 ARG A 862 20.671 -0.614 6.725 1.00 0.00 H ATOM 717 HH11 ARG A 862 19.815 -1.386 5.341 1.00 0.00 H ATOM 718 HH22 ARG A 862 20.615 1.658 6.996 1.00 0.00 H ATOM 719 HH21 ARG A 862 19.716 2.696 5.830 1.00 0.00 H ATOM 720 H ARG A 862 20.097 0.589 -0.806 1.00 0.00 H ATOM 721 N ILE A 863 16.152 0.428 -1.068 1.00 15.80 N ATOM 722 CA ILE A 863 15.289 1.533 -1.496 1.00 17.59 C ATOM 723 C ILE A 863 14.592 2.078 -0.230 1.00 19.43 C ATOM 724 O ILE A 863 13.902 1.316 0.474 1.00 18.44 O ATOM 725 CB ILE A 863 14.201 1.154 -2.570 1.00 17.19 C ATOM 726 CG1 ILE A 863 14.809 0.510 -3.840 1.00 18.94 C ATOM 727 CG2 ILE A 863 13.340 2.397 -2.871 1.00 17.95 C ATOM 728 CD1 ILE A 863 15.494 1.462 -4.746 1.00 23.09 C ATOM 729 HA ILE A 863 15.924 2.269 -1.989 1.00 0.00 H ATOM 730 HB ILE A 863 13.555 0.378 -2.160 1.00 0.00 H ATOM 731 HG12 ILE A 863 15.533 -0.243 -3.527 1.00 0.00 H ATOM 732 HG13 ILE A 863 14.004 0.029 -4.397 1.00 0.00 H ATOM 733 HD11 ILE A 863 14.783 2.217 -5.083 1.00 0.00 H ATOM 734 HD12 ILE A 863 16.313 1.944 -4.212 1.00 0.00 H ATOM 735 HD13 ILE A 863 15.888 0.922 -5.607 1.00 0.00 H ATOM 736 HG21 ILE A 863 12.853 2.731 -1.955 1.00 0.00 H ATOM 737 HG22 ILE A 863 13.976 3.194 -3.256 1.00 0.00 H ATOM 738 HG23 ILE A 863 12.584 2.143 -3.614 1.00 0.00 H ATOM 739 H ILE A 863 15.736 -0.511 -0.906 1.00 0.00 H ATOM 740 N PRO A 864 14.800 3.370 0.087 1.00 22.23 N ATOM 741 CA PRO A 864 14.145 3.904 1.301 1.00 24.21 C ATOM 742 C PRO A 864 12.626 3.704 1.364 1.00 23.88 C ATOM 743 O PRO A 864 11.933 3.926 0.360 1.00 23.62 O ATOM 744 CB PRO A 864 14.445 5.416 1.250 1.00 25.98 C ATOM 745 CG PRO A 864 15.604 5.572 0.330 1.00 25.33 C ATOM 746 CD PRO A 864 15.613 4.374 -0.624 1.00 22.23 C ATOM 747 HA PRO A 864 14.525 3.377 2.176 1.00 0.00 H ATOM 748 HD3 PRO A 864 15.163 4.634 -1.582 1.00 0.00 H ATOM 749 HD2 PRO A 864 16.628 4.011 -0.787 1.00 0.00 H ATOM 750 HG3 PRO A 864 16.531 5.597 0.903 1.00 0.00 H ATOM 751 HG2 PRO A 864 15.505 6.497 -0.238 1.00 0.00 H ATOM 752 HB2 PRO A 864 13.582 5.961 0.868 1.00 0.00 H ATOM 753 HB3 PRO A 864 14.697 5.786 2.244 1.00 0.00 H ATOM 754 N GLY A 865 12.118 3.324 2.544 1.00 23.17 N ATOM 755 CA GLY A 865 10.670 3.134 2.760 1.00 22.69 C ATOM 756 C GLY A 865 10.135 1.833 2.202 1.00 21.08 C ATOM 757 O GLY A 865 8.924 1.635 2.110 1.00 22.90 O ATOM 758 HA3 GLY A 865 10.140 3.957 2.281 1.00 0.00 H ATOM 759 HA2 GLY A 865 10.477 3.154 3.833 1.00 0.00 H ATOM 760 H GLY A 865 12.768 3.156 3.338 1.00 0.00 H ATOM 761 N THR A 866 11.028 0.930 1.816 1.00 19.92 N ATOM 762 CA THR A 866 10.616 -0.369 1.344 1.00 18.03 C ATOM 763 C THR A 866 11.475 -1.466 1.970 1.00 17.91 C ATOM 764 O THR A 866 12.405 -1.184 2.737 1.00 20.76 O ATOM 765 CB THR A 866 10.797 -0.486 -0.173 1.00 17.11 C ATOM 766 OG1 THR A 866 12.188 -0.736 -0.445 1.00 17.13 O ATOM 767 CG2 THR A 866 10.322 0.759 -0.915 1.00 15.84 C ATOM 768 HA THR A 866 9.567 -0.484 1.619 1.00 0.00 H ATOM 769 HB THR A 866 10.181 -1.310 -0.534 1.00 0.00 H ATOM 770 HG1 THR A 866 12.731 0.014 -0.095 1.00 0.00 H ATOM 771 HG23 THR A 866 9.268 0.931 -0.696 1.00 0.00 H ATOM 772 HG21 THR A 866 10.907 1.619 -0.590 1.00 0.00 H ATOM 773 HG22 THR A 866 10.453 0.613 -1.987 1.00 0.00 H ATOM 774 H THR A 866 12.041 1.163 1.855 1.00 0.00 H ATOM 775 N SER A 867 11.200 -2.716 1.620 1.00 16.36 N ATOM 776 CA SER A 867 12.049 -3.839 2.036 1.00 16.57 C ATOM 777 C SER A 867 12.950 -4.369 0.916 1.00 15.14 C ATOM 778 O SER A 867 13.536 -5.461 1.010 1.00 16.44 O ATOM 779 CB SER A 867 11.180 -4.965 2.565 1.00 17.65 C ATOM 780 OG SER A 867 10.483 -5.550 1.451 1.00 25.08 O ATOM 781 HA SER A 867 12.709 -3.460 2.817 1.00 0.00 H ATOM 782 HB2 SER A 867 10.463 -4.572 3.285 1.00 0.00 H ATOM 783 HB3 SER A 867 11.803 -5.718 3.048 1.00 0.00 H ATOM 784 HG SER A 867 11.140 -5.902 0.800 1.00 0.00 H ATOM 785 H SER A 867 10.361 -2.905 1.036 1.00 0.00 H ATOM 786 N ARG A 868 13.078 -3.569 -0.140 1.00 13.99 N ATOM 787 CA ARG A 868 13.885 -3.946 -1.310 1.00 12.66 C ATOM 788 C ARG A 868 15.364 -3.735 -0.993 1.00 13.09 C ATOM 789 O ARG A 868 15.807 -2.629 -0.598 1.00 11.51 O ATOM 790 CB ARG A 868 13.437 -3.134 -2.520 1.00 12.86 C ATOM 791 CG ARG A 868 11.930 -3.293 -2.882 1.00 12.23 C ATOM 792 CD ARG A 868 11.429 -2.193 -3.778 1.00 14.08 C ATOM 793 NE ARG A 868 12.166 -2.140 -5.065 1.00 11.83 N ATOM 794 CZ ARG A 868 12.261 -1.041 -5.796 1.00 12.20 C ATOM 795 NH1 ARG A 868 11.582 0.041 -5.419 1.00 12.72 N ATOM 796 NH2 ARG A 868 12.961 -1.027 -6.933 1.00 13.02 N ATOM 797 HA ARG A 868 13.742 -5.000 -1.548 1.00 0.00 H ATOM 798 HB2 ARG A 868 13.629 -2.081 -2.314 1.00 0.00 H ATOM 799 HB3 ARG A 868 14.029 -3.448 -3.380 1.00 0.00 H ATOM 800 HG2 ARG A 868 11.792 -4.247 -3.390 1.00 0.00 H ATOM 801 HG3 ARG A 868 11.347 -3.286 -1.961 1.00 0.00 H ATOM 802 HD2 ARG A 868 11.549 -1.239 -3.264 1.00 0.00 H ATOM 803 HD3 ARG A 868 10.372 -2.362 -3.985 1.00 0.00 H ATOM 804 HE ARG A 868 12.629 -3.006 -5.408 1.00 0.00 H ATOM 805 HH12 ARG A 868 11.643 0.915 -5.980 1.00 0.00 H ATOM 806 HH11 ARG A 868 10.991 0.012 -4.564 1.00 0.00 H ATOM 807 HH22 ARG A 868 13.024 -0.154 -7.494 1.00 0.00 H ATOM 808 HH21 ARG A 868 13.443 -1.890 -7.258 1.00 0.00 H ATOM 809 H ARG A 868 12.592 -2.649 -0.138 1.00 0.00 H ATOM 810 N GLN A 869 16.146 -4.791 -1.183 1.00 12.88 N ATOM 811 CA GLN A 869 17.572 -4.680 -0.978 1.00 12.63 C ATOM 812 C GLN A 869 18.319 -5.714 -1.812 1.00 12.13 C ATOM 813 O GLN A 869 17.837 -6.836 -2.001 1.00 13.22 O ATOM 814 CB GLN A 869 17.866 -4.849 0.523 1.00 13.09 C ATOM 815 CG GLN A 869 19.408 -4.934 0.859 1.00 14.86 C ATOM 816 CD GLN A 869 19.718 -4.878 2.382 1.00 16.23 C ATOM 817 OE1 GLN A 869 18.881 -4.428 3.194 1.00 19.46 O ATOM 818 NE2 GLN A 869 20.926 -5.365 2.768 1.00 18.46 N ATOM 819 HA GLN A 869 17.919 -3.699 -1.303 1.00 0.00 H ATOM 820 HB2 GLN A 869 17.443 -3.997 1.056 1.00 0.00 H ATOM 821 HB3 GLN A 869 17.387 -5.765 0.867 1.00 0.00 H ATOM 822 HG2 GLN A 869 19.796 -5.872 0.462 1.00 0.00 H ATOM 823 HG3 GLN A 869 19.913 -4.099 0.373 1.00 0.00 H ATOM 824 HE22 GLN A 869 21.591 -5.730 2.056 1.00 0.00 H ATOM 825 HE21 GLN A 869 21.186 -5.373 3.775 1.00 0.00 H ATOM 826 H GLN A 869 15.732 -5.698 -1.479 1.00 0.00 H ATOM 827 N GLY A 870 19.510 -5.360 -2.310 1.00 10.63 N ATOM 828 CA GLY A 870 20.283 -6.323 -3.056 1.00 10.41 C ATOM 829 C GLY A 870 21.412 -5.649 -3.786 1.00 9.52 C ATOM 830 O GLY A 870 21.660 -4.458 -3.600 1.00 12.25 O ATOM 831 HA3 GLY A 870 19.635 -6.819 -3.779 1.00 0.00 H ATOM 832 HA2 GLY A 870 20.693 -7.063 -2.369 1.00 0.00 H ATOM 833 H GLY A 870 19.875 -4.398 -2.160 1.00 0.00 H ATOM 834 N ILE A 871 22.050 -6.371 -4.696 1.00 9.82 N ATOM 835 CA ILE A 871 23.168 -5.776 -5.423 1.00 10.46 C ATOM 836 C ILE A 871 22.758 -5.299 -6.818 1.00 9.51 C ATOM 837 O ILE A 871 21.719 -5.743 -7.385 1.00 11.14 O ATOM 838 CB ILE A 871 24.402 -6.718 -5.476 1.00 10.24 C ATOM 839 CG1 ILE A 871 24.132 -7.996 -6.321 1.00 10.18 C ATOM 840 CG2 ILE A 871 24.818 -7.048 -4.071 1.00 11.34 C ATOM 841 CD1 ILE A 871 25.341 -8.885 -6.537 1.00 12.66 C ATOM 842 HA ILE A 871 23.469 -4.893 -4.860 1.00 0.00 H ATOM 843 HB ILE A 871 25.220 -6.203 -5.981 1.00 0.00 H ATOM 844 HG12 ILE A 871 23.366 -8.583 -5.813 1.00 0.00 H ATOM 845 HG13 ILE A 871 23.761 -7.685 -7.298 1.00 0.00 H ATOM 846 HD11 ILE A 871 26.116 -8.322 -7.058 1.00 0.00 H ATOM 847 HD12 ILE A 871 25.720 -9.221 -5.572 1.00 0.00 H ATOM 848 HD13 ILE A 871 25.053 -9.749 -7.136 1.00 0.00 H ATOM 849 HG21 ILE A 871 25.076 -6.129 -3.544 1.00 0.00 H ATOM 850 HG22 ILE A 871 23.995 -7.544 -3.557 1.00 0.00 H ATOM 851 HG23 ILE A 871 25.684 -7.709 -4.096 1.00 0.00 H ATOM 852 H ILE A 871 21.758 -7.350 -4.890 1.00 0.00 H ATOM 853 N PHE A 872 23.596 -4.448 -7.411 1.00 9.41 N ATOM 854 CA PHE A 872 23.338 -3.892 -8.758 1.00 9.66 C ATOM 855 C PHE A 872 24.625 -3.215 -9.265 1.00 10.13 C ATOM 856 O PHE A 872 25.527 -2.887 -8.466 1.00 10.34 O ATOM 857 CB PHE A 872 22.188 -2.873 -8.705 1.00 9.88 C ATOM 858 CG PHE A 872 22.387 -1.824 -7.629 1.00 9.40 C ATOM 859 CD1 PHE A 872 23.144 -0.649 -7.867 1.00 9.36 C ATOM 860 CD2 PHE A 872 21.858 -2.049 -6.338 1.00 9.69 C ATOM 861 CE1 PHE A 872 23.321 0.289 -6.803 1.00 10.22 C ATOM 862 CE2 PHE A 872 22.020 -1.144 -5.328 1.00 10.36 C ATOM 863 CZ PHE A 872 22.773 0.030 -5.549 1.00 9.15 C ATOM 864 HA PHE A 872 23.049 -4.694 -9.437 1.00 0.00 H ATOM 865 HB2 PHE A 872 22.119 -2.373 -9.671 1.00 0.00 H ATOM 866 HB3 PHE A 872 21.258 -3.406 -8.506 1.00 0.00 H ATOM 867 HD2 PHE A 872 21.306 -2.969 -6.143 1.00 0.00 H ATOM 868 HE2 PHE A 872 21.569 -1.328 -4.353 1.00 0.00 H ATOM 869 HZ PHE A 872 22.926 0.737 -4.734 1.00 0.00 H ATOM 870 HE1 PHE A 872 23.885 1.206 -6.973 1.00 0.00 H ATOM 871 HD1 PHE A 872 23.584 -0.464 -8.847 1.00 0.00 H ATOM 872 H PHE A 872 24.462 -4.165 -6.909 1.00 0.00 H ATOM 873 N PRO A 873 24.758 -3.074 -10.588 1.00 10.32 N ATOM 874 CA PRO A 873 26.034 -2.580 -11.118 1.00 9.18 C ATOM 875 C PRO A 873 26.194 -1.090 -10.885 1.00 10.07 C ATOM 876 O PRO A 873 25.235 -0.311 -10.949 1.00 9.33 O ATOM 877 CB PRO A 873 25.899 -2.794 -12.648 1.00 10.99 C ATOM 878 CG PRO A 873 24.749 -3.839 -12.783 1.00 10.53 C ATOM 879 CD PRO A 873 23.828 -3.454 -11.667 1.00 10.27 C ATOM 880 HA PRO A 873 26.879 -3.084 -10.650 1.00 0.00 H ATOM 881 HD3 PRO A 873 23.195 -2.614 -11.953 1.00 0.00 H ATOM 882 HD2 PRO A 873 23.202 -4.294 -11.367 1.00 0.00 H ATOM 883 HG3 PRO A 873 25.122 -4.855 -12.653 1.00 0.00 H ATOM 884 HG2 PRO A 873 24.253 -3.756 -13.750 1.00 0.00 H ATOM 885 HB2 PRO A 873 25.637 -1.862 -13.148 1.00 0.00 H ATOM 886 HB3 PRO A 873 26.827 -3.182 -13.069 1.00 0.00 H ATOM 887 N ILE A 874 27.427 -0.712 -10.619 1.00 10.20 N ATOM 888 CA ILE A 874 27.761 0.678 -10.411 1.00 11.15 C ATOM 889 C ILE A 874 27.411 1.525 -11.637 1.00 10.89 C ATOM 890 O ILE A 874 27.064 2.706 -11.515 1.00 11.69 O ATOM 891 CB ILE A 874 29.250 0.782 -10.097 1.00 11.38 C ATOM 892 CG1 ILE A 874 29.549 0.017 -8.792 1.00 12.68 C ATOM 893 CG2 ILE A 874 29.657 2.221 -9.974 1.00 9.32 C ATOM 894 CD1 ILE A 874 31.020 -0.101 -8.442 1.00 16.63 C ATOM 895 HA ILE A 874 27.177 1.063 -9.575 1.00 0.00 H ATOM 896 HB ILE A 874 29.825 0.338 -10.910 1.00 0.00 H ATOM 897 HG12 ILE A 874 29.047 0.533 -7.974 1.00 0.00 H ATOM 898 HG13 ILE A 874 29.142 -0.990 -8.889 1.00 0.00 H ATOM 899 HD11 ILE A 874 31.541 -0.629 -9.241 1.00 0.00 H ATOM 900 HD12 ILE A 874 31.446 0.896 -8.325 1.00 0.00 H ATOM 901 HD13 ILE A 874 31.127 -0.655 -7.509 1.00 0.00 H ATOM 902 HG21 ILE A 874 29.454 2.736 -10.913 1.00 0.00 H ATOM 903 HG22 ILE A 874 29.090 2.690 -9.170 1.00 0.00 H ATOM 904 HG23 ILE A 874 30.722 2.278 -9.750 1.00 0.00 H ATOM 905 H ILE A 874 28.177 -1.430 -10.557 1.00 0.00 H ATOM 906 N THR A 875 27.500 0.927 -12.820 1.00 11.69 N ATOM 907 CA THR A 875 27.230 1.642 -14.075 1.00 11.48 C ATOM 908 C THR A 875 25.748 1.997 -14.254 1.00 12.29 C ATOM 909 O THR A 875 25.412 2.817 -15.127 1.00 13.70 O ATOM 910 CB THR A 875 27.716 0.842 -15.298 1.00 10.96 C ATOM 911 OG1 THR A 875 27.107 -0.447 -15.279 1.00 12.43 O ATOM 912 CG2 THR A 875 29.251 0.730 -15.319 1.00 12.35 C ATOM 913 HA THR A 875 27.791 2.574 -14.007 1.00 0.00 H ATOM 914 HB THR A 875 27.424 1.366 -16.208 1.00 0.00 H ATOM 915 HG1 THR A 875 27.415 -0.968 -16.063 1.00 0.00 H ATOM 916 HG23 THR A 875 29.687 1.729 -15.333 1.00 0.00 H ATOM 917 HG21 THR A 875 29.587 0.198 -14.429 1.00 0.00 H ATOM 918 HG22 THR A 875 29.562 0.184 -16.210 1.00 0.00 H ATOM 919 H THR A 875 27.769 -0.077 -12.859 1.00 0.00 H ATOM 920 N TYR A 876 24.878 1.376 -13.441 1.00 11.66 N ATOM 921 CA TYR A 876 23.429 1.661 -13.502 1.00 11.26 C ATOM 922 C TYR A 876 22.969 2.786 -12.610 1.00 11.36 C ATOM 923 O TYR A 876 21.779 3.100 -12.572 1.00 12.12 O ATOM 924 CB TYR A 876 22.633 0.383 -13.212 1.00 10.75 C ATOM 925 CG TYR A 876 22.470 -0.450 -14.442 1.00 12.33 C ATOM 926 CD1 TYR A 876 23.594 -1.058 -15.080 1.00 12.68 C ATOM 927 CD2 TYR A 876 21.211 -0.614 -15.035 1.00 10.07 C ATOM 928 CE1 TYR A 876 23.440 -1.843 -16.245 1.00 13.88 C ATOM 929 CE2 TYR A 876 21.061 -1.372 -16.176 1.00 11.56 C ATOM 930 CZ TYR A 876 22.159 -1.987 -16.792 1.00 12.92 C ATOM 931 OH TYR A 876 21.915 -2.725 -17.948 1.00 15.54 O ATOM 932 HA TYR A 876 23.236 2.007 -14.517 1.00 0.00 H ATOM 933 HB3 TYR A 876 21.647 0.657 -12.836 1.00 0.00 H ATOM 934 HB2 TYR A 876 23.160 -0.199 -12.456 1.00 0.00 H ATOM 935 HD2 TYR A 876 20.339 -0.136 -14.588 1.00 0.00 H ATOM 936 HE2 TYR A 876 20.068 -1.496 -16.608 1.00 0.00 H ATOM 937 HE1 TYR A 876 24.300 -2.326 -16.708 1.00 0.00 H ATOM 938 HD1 TYR A 876 24.590 -0.914 -14.660 1.00 0.00 H ATOM 939 HH TYR A 876 22.766 -3.104 -18.282 1.00 0.00 H ATOM 940 H TYR A 876 25.231 0.680 -12.754 1.00 0.00 H ATOM 941 N VAL A 877 23.894 3.376 -11.850 1.00 11.82 N ATOM 942 CA VAL A 877 23.481 4.443 -10.913 1.00 11.47 C ATOM 943 C VAL A 877 24.413 5.638 -10.988 1.00 11.52 C ATOM 944 O VAL A 877 25.607 5.522 -11.341 1.00 12.92 O ATOM 945 CB VAL A 877 23.409 3.924 -9.470 1.00 12.99 C ATOM 946 CG1 VAL A 877 22.487 2.705 -9.369 1.00 12.73 C ATOM 947 CG2 VAL A 877 24.813 3.618 -8.901 1.00 12.90 C ATOM 948 HA VAL A 877 22.484 4.763 -11.216 1.00 0.00 H ATOM 949 HB VAL A 877 22.981 4.718 -8.858 1.00 0.00 H ATOM 950 HG11 VAL A 877 21.483 2.982 -9.691 1.00 0.00 H ATOM 951 HG12 VAL A 877 22.868 1.909 -10.008 1.00 0.00 H ATOM 952 HG13 VAL A 877 22.456 2.359 -8.336 1.00 0.00 H ATOM 953 HG21 VAL A 877 25.295 2.858 -9.516 1.00 0.00 H ATOM 954 HG22 VAL A 877 25.413 4.528 -8.909 1.00 0.00 H ATOM 955 HG23 VAL A 877 24.718 3.253 -7.878 1.00 0.00 H ATOM 956 H VAL A 877 24.892 3.089 -11.916 1.00 0.00 H ATOM 957 N ASP A 878 23.857 6.802 -10.672 1.00 12.12 N ATOM 958 CA ASP A 878 24.626 8.025 -10.577 1.00 12.65 C ATOM 959 C ASP A 878 24.850 8.306 -9.090 1.00 13.06 C ATOM 960 O ASP A 878 23.915 8.536 -8.340 1.00 13.43 O ATOM 961 CB ASP A 878 23.905 9.170 -11.250 1.00 15.14 C ATOM 962 CG ASP A 878 24.857 10.304 -11.578 1.00 19.28 C ATOM 963 OD1 ASP A 878 25.447 10.875 -10.628 1.00 21.16 O ATOM 964 OD2 ASP A 878 25.060 10.570 -12.799 1.00 23.55 O ATOM 965 HA ASP A 878 25.582 7.918 -11.089 1.00 0.00 H ATOM 966 HB2 ASP A 878 23.450 8.810 -12.173 1.00 0.00 H ATOM 967 HB3 ASP A 878 23.127 9.541 -10.583 1.00 0.00 H ATOM 968 H ASP A 878 22.834 6.836 -10.486 1.00 0.00 H ATOM 969 N VAL A 879 26.103 8.244 -8.660 1.00 13.47 N ATOM 970 CA VAL A 879 26.454 8.253 -7.242 1.00 13.43 C ATOM 971 C VAL A 879 26.581 9.682 -6.700 1.00 13.76 C ATOM 972 O VAL A 879 27.399 10.459 -7.211 1.00 15.26 O ATOM 973 CB VAL A 879 27.746 7.493 -6.983 1.00 13.18 C ATOM 974 CG1 VAL A 879 28.080 7.549 -5.485 1.00 14.46 C ATOM 975 CG2 VAL A 879 27.596 6.046 -7.425 1.00 16.02 C ATOM 976 HA VAL A 879 25.641 7.752 -6.717 1.00 0.00 H ATOM 977 HB VAL A 879 28.554 7.953 -7.552 1.00 0.00 H ATOM 978 HG11 VAL A 879 28.201 8.588 -5.180 1.00 0.00 H ATOM 979 HG12 VAL A 879 27.269 7.094 -4.916 1.00 0.00 H ATOM 980 HG13 VAL A 879 29.006 7.004 -5.300 1.00 0.00 H ATOM 981 HG21 VAL A 879 26.786 5.579 -6.865 1.00 0.00 H ATOM 982 HG22 VAL A 879 27.368 6.015 -8.490 1.00 0.00 H ATOM 983 HG23 VAL A 879 28.527 5.511 -7.235 1.00 0.00 H ATOM 984 H VAL A 879 26.868 8.187 -9.362 1.00 0.00 H ATOM 985 N ILE A 880 25.753 10.035 -5.701 1.00 13.33 N ATOM 986 CA ILE A 880 25.828 11.346 -5.047 1.00 14.37 C ATOM 987 C ILE A 880 26.857 11.305 -3.912 1.00 15.02 C ATOM 988 O ILE A 880 27.610 12.265 -3.737 1.00 17.32 O ATOM 989 CB ILE A 880 24.471 11.770 -4.523 1.00 14.01 C ATOM 990 CG1 ILE A 880 23.594 12.099 -5.743 1.00 16.92 C ATOM 991 CG2 ILE A 880 24.589 13.048 -3.691 1.00 16.25 C ATOM 992 CD1 ILE A 880 22.396 11.335 -5.805 1.00 25.56 C ATOM 993 HA ILE A 880 26.145 12.083 -5.784 1.00 0.00 H ATOM 994 HB ILE A 880 24.054 10.973 -3.907 1.00 0.00 H ATOM 995 HG12 ILE A 880 23.328 13.155 -5.702 1.00 0.00 H ATOM 996 HG13 ILE A 880 24.173 11.906 -6.646 1.00 0.00 H ATOM 997 HD11 ILE A 880 22.645 10.275 -5.858 1.00 0.00 H ATOM 998 HD12 ILE A 880 21.799 11.525 -4.913 1.00 0.00 H ATOM 999 HD13 ILE A 880 21.829 11.621 -6.691 1.00 0.00 H ATOM 1000 HG21 ILE A 880 25.254 12.870 -2.846 1.00 0.00 H ATOM 1001 HG22 ILE A 880 24.994 13.848 -4.311 1.00 0.00 H ATOM 1002 HG23 ILE A 880 23.603 13.334 -3.325 1.00 0.00 H ATOM 1003 H ILE A 880 25.034 9.355 -5.381 1.00 0.00 H ATOM 1004 N LYS A 881 26.891 10.204 -3.178 1.00 14.94 N ATOM 1005 CA LYS A 881 27.727 10.050 -1.994 1.00 16.27 C ATOM 1006 C LYS A 881 28.118 8.597 -1.928 1.00 14.07 C ATOM 1007 O LYS A 881 27.277 7.735 -2.104 1.00 12.95 O ATOM 1008 CB LYS A 881 26.813 10.346 -0.821 1.00 18.09 C ATOM 1009 CG LYS A 881 27.323 10.349 0.582 1.00 21.57 C ATOM 1010 CD LYS A 881 26.310 11.158 1.367 1.00 22.76 C ATOM 1011 CE LYS A 881 25.517 10.299 2.317 1.00 22.98 C ATOM 1012 NZ LYS A 881 24.848 11.034 3.440 1.00 23.99 N ATOM 1013 HA LYS A 881 28.610 10.689 -1.999 1.00 0.00 H ATOM 1014 HB2 LYS A 881 26.395 11.337 -0.999 1.00 0.00 H ATOM 1015 HB3 LYS A 881 26.015 9.604 -0.857 1.00 0.00 H ATOM 1016 HG2 LYS A 881 27.385 9.332 0.970 1.00 0.00 H ATOM 1017 HG3 LYS A 881 28.307 10.815 0.631 1.00 0.00 H ATOM 1018 HD2 LYS A 881 26.836 11.922 1.939 1.00 0.00 H ATOM 1019 HD3 LYS A 881 25.624 11.637 0.668 1.00 0.00 H ATOM 1020 HE2 LYS A 881 26.194 9.564 2.752 1.00 0.00 H ATOM 1021 HE3 LYS A 881 24.745 9.786 1.743 1.00 0.00 H ATOM 1022 HZ1 LYS A 881 25.568 11.520 4.012 1.00 0.00 H ATOM 1023 HZ2 LYS A 881 24.184 11.733 3.049 1.00 0.00 H ATOM 1024 HZ3 LYS A 881 24.330 10.357 4.036 1.00 0.00 H ATOM 1025 H LYS A 881 26.288 9.405 -3.462 1.00 0.00 H ATOM 1026 N ARG A 882 29.394 8.334 -1.623 1.00 13.55 N ATOM 1027 CA ARG A 882 29.857 6.962 -1.526 1.00 14.77 C ATOM 1028 C ARG A 882 29.396 6.301 -0.218 1.00 13.63 C ATOM 1029 O ARG A 882 29.212 6.993 0.788 1.00 13.80 O ATOM 1030 CB ARG A 882 31.392 6.889 -1.716 1.00 13.94 C ATOM 1031 CG ARG A 882 32.217 7.454 -0.563 1.00 16.43 C ATOM 1032 CD ARG A 882 33.703 7.692 -0.915 1.00 18.61 C ATOM 1033 NE ARG A 882 33.865 9.003 -1.548 1.00 23.38 N ATOM 1034 CZ ARG A 882 34.920 9.303 -2.325 1.00 26.40 C ATOM 1035 NH1 ARG A 882 35.858 8.361 -2.549 1.00 29.19 N ATOM 1036 NH2 ARG A 882 35.041 10.501 -2.902 1.00 23.91 N ATOM 1037 HA ARG A 882 29.402 6.390 -2.335 1.00 0.00 H ATOM 1038 HB2 ARG A 882 31.667 5.842 -1.846 1.00 0.00 H ATOM 1039 HB3 ARG A 882 31.647 7.445 -2.618 1.00 0.00 H ATOM 1040 HG2 ARG A 882 31.779 8.405 -0.261 1.00 0.00 H ATOM 1041 HG3 ARG A 882 32.169 6.752 0.270 1.00 0.00 H ATOM 1042 HD2 ARG A 882 34.040 6.915 -1.601 1.00 0.00 H ATOM 1043 HD3 ARG A 882 34.300 7.655 -0.004 1.00 0.00 H ATOM 1044 HE ARG A 882 33.137 9.729 -1.390 1.00 0.00 H ATOM 1045 HH12 ARG A 882 36.680 8.578 -3.148 1.00 0.00 H ATOM 1046 HH11 ARG A 882 35.760 7.417 -2.123 1.00 0.00 H ATOM 1047 HH22 ARG A 882 35.867 10.710 -3.499 1.00 0.00 H ATOM 1048 HH21 ARG A 882 34.310 11.226 -2.754 1.00 0.00 H ATOM 1049 H ARG A 882 30.058 9.117 -1.455 1.00 0.00 H ATOM 1050 N PRO A 883 29.216 4.963 -0.209 1.00 13.52 N ATOM 1051 CA PRO A 883 28.999 4.254 1.059 1.00 14.42 C ATOM 1052 C PRO A 883 30.320 4.183 1.808 1.00 15.17 C ATOM 1053 O PRO A 883 31.409 4.226 1.181 1.00 17.35 O ATOM 1054 CB PRO A 883 28.590 2.842 0.628 1.00 14.17 C ATOM 1055 CG PRO A 883 29.186 2.643 -0.721 1.00 13.72 C ATOM 1056 CD PRO A 883 29.317 4.026 -1.359 1.00 13.72 C ATOM 1057 HA PRO A 883 28.260 4.733 1.702 1.00 0.00 H ATOM 1058 HD3 PRO A 883 30.278 4.132 -1.862 1.00 0.00 H ATOM 1059 HD2 PRO A 883 28.513 4.201 -2.074 1.00 0.00 H ATOM 1060 HG3 PRO A 883 28.538 2.010 -1.327 1.00 0.00 H ATOM 1061 HG2 PRO A 883 30.167 2.177 -0.632 1.00 0.00 H ATOM 1062 HB2 PRO A 883 28.979 2.103 1.328 1.00 0.00 H ATOM 1063 HB3 PRO A 883 27.504 2.759 0.580 1.00 0.00 H ATOM 1064 N LEU A 884 30.240 4.094 3.121 1.00 15.57 N ATOM 1065 CA LEU A 884 31.460 3.920 3.951 1.00 17.11 C ATOM 1066 C LEU A 884 31.271 2.714 4.805 1.00 18.65 C ATOM 1067 O LEU A 884 32.182 2.280 5.481 1.00 21.29 O ATOM 1068 CB LEU A 884 31.672 5.133 4.852 1.00 17.02 C ATOM 1069 CG LEU A 884 31.841 6.473 4.131 1.00 16.45 C ATOM 1070 CD1 LEU A 884 31.792 7.578 5.183 1.00 14.99 C ATOM 1071 CD2 LEU A 884 33.114 6.486 3.266 1.00 16.35 C ATOM 1072 HA LEU A 884 32.328 3.810 3.301 1.00 0.00 H ATOM 1073 OXT LEU A 884 30.171 2.164 4.877 1.00 22.37 O ATOM 1074 HB2 LEU A 884 30.809 5.214 5.513 1.00 0.00 H ATOM 1075 HB3 LEU A 884 32.568 4.957 5.446 1.00 0.00 H ATOM 1076 HG LEU A 884 31.030 6.642 3.423 1.00 0.00 H ATOM 1077 HD21 LEU A 884 33.985 6.321 3.901 1.00 0.00 H ATOM 1078 HD22 LEU A 884 33.052 5.695 2.519 1.00 0.00 H ATOM 1079 HD23 LEU A 884 33.204 7.452 2.768 1.00 0.00 H ATOM 1080 HD11 LEU A 884 30.833 7.544 5.699 1.00 0.00 H ATOM 1081 HD12 LEU A 884 32.598 7.430 5.901 1.00 0.00 H ATOM 1082 HD13 LEU A 884 31.910 8.546 4.697 1.00 0.00 H ATOM 1083 H LEU A 884 29.309 4.146 3.582 1.00 0.00 H TER 1084 LEU A 884 HETATM 1085 O HOH 1 13.284 -4.453 -6.185 1.00 14.74 O HETATM 1086 O HOH 2 23.321 10.129 -14.894 1.00 15.27 O HETATM 1087 O HOH 3 29.264 -1.647 -13.091 1.00 18.14 O HETATM 1088 O HOH 4 31.261 10.460 -1.402 1.00 16.88 O HETATM 1089 O HOH 5 33.440 4.072 -0.561 1.00 19.04 O HETATM 1090 O HOH 6 30.098 -2.885 -15.400 1.00 17.19 O HETATM 1091 O HOH 7 13.291 -2.750 -13.943 1.00 21.31 O HETATM 1092 O HOH 8 14.679 -7.392 -7.214 1.00 16.57 O HETATM 1093 O HOH 9 7.034 -0.062 1.049 1.00 19.39 O HETATM 1094 O HOH 10 34.406 1.003 -9.127 1.00 18.11 O HETATM 1095 O HOH 11 19.271 -2.896 5.391 1.00 24.17 O HETATM 1096 O HOH 12 21.388 -7.933 -0.243 1.00 23.89 O HETATM 1097 O HOH 13 22.152 7.640 2.265 1.00 20.20 O HETATM 1098 O HOH 14 27.101 1.876 4.772 1.00 20.49 O HETATM 1099 O HOH 15 21.395 -9.618 -13.127 1.00 24.46 O HETATM 1100 O HOH 16 22.120 -9.667 -2.430 1.00 23.36 O HETATM 1101 O HOH 17 36.759 -8.098 -8.589 1.00 19.82 O HETATM 1102 O HOH 18 20.663 -13.068 -18.719 1.00 21.53 O HETATM 1103 O HOH 19 34.715 -9.363 -7.325 1.00 21.98 O HETATM 1104 O HOH 20 35.190 -2.125 -14.503 1.00 25.70 O HETATM 1105 O HOH 21 30.555 4.616 -8.692 1.00 23.05 O HETATM 1106 O HOH 22 18.851 -4.739 -16.996 1.00 25.70 O HETATM 1107 O HOH 23 15.965 2.341 -18.796 1.00 21.78 O HETATM 1108 O HOH 24 33.449 -7.998 -10.488 1.00 22.56 O HETATM 1109 O HOH 25 15.977 -9.277 -9.307 1.00 19.75 O HETATM 1110 O HOH 26 27.457 11.459 -13.261 1.00 22.35 O HETATM 1111 O HOH 27 26.885 4.445 -16.639 1.00 24.58 O HETATM 1112 O HOH 28 31.297 5.068 -4.483 1.00 22.82 O HETATM 1113 O HOH 29 17.423 3.394 3.184 1.00 27.52 O HETATM 1114 O HOH 30 10.872 5.232 -13.890 1.00 22.84 O HETATM 1115 O HOH 31 8.822 3.477 -9.485 1.00 24.21 O HETATM 1116 O HOH 32 9.032 4.497 -11.994 1.00 31.96 O HETATM 1117 O HOH 33 28.733 5.086 -10.724 1.00 26.93 O HETATM 1118 O HOH 34 11.217 4.519 -5.408 1.00 26.75 O HETATM 1119 O HOH 35 36.054 5.709 -1.899 1.00 34.85 O HETATM 1120 O HOH 36 24.042 -13.306 -8.935 1.00 29.42 O HETATM 1121 O HOH 37 17.094 4.345 -20.639 1.00 36.23 O HETATM 1122 O HOH 38 31.041 0.307 7.365 1.00 39.31 O HETATM 1123 O HOH 39 36.114 -7.152 -3.466 1.00 29.12 O HETATM 1124 O HOH 40 37.724 -8.207 -11.618 1.00 27.24 O HETATM 1125 O HOH 41 38.214 -11.033 -7.575 1.00 35.62 O HETATM 1126 O HOH 42 37.861 -9.838 -9.772 1.00 36.97 O HETATM 1127 O HOH 43 15.036 -7.132 2.251 1.00 28.32 O HETATM 1128 O HOH 44 18.273 7.028 -0.011 1.00 30.35 O HETATM 1129 O HOH 45 13.792 -6.345 -4.724 1.00 30.83 O HETATM 1130 O HOH 46 18.747 -9.570 -2.007 1.00 26.06 O HETATM 1131 O HOH 47 23.851 -10.802 -12.334 1.00 25.28 O HETATM 1132 O HOH 48 11.331 3.246 -16.029 1.00 30.24 O HETATM 1133 O HOH 49 29.931 12.762 -2.184 1.00 29.86 O HETATM 1134 O HOH 50 10.467 -6.069 -15.283 1.00 28.99 O HETATM 1135 O HOH 51 7.638 -0.536 -17.721 1.00 33.41 O HETATM 1136 O HOH 52 33.640 -0.374 5.502 1.00 35.15 O HETATM 1137 O HOH 53 16.405 -8.841 0.535 1.00 31.44 O HETATM 1138 O HOH 54 14.678 -6.932 -2.320 1.00 34.04 O HETATM 1139 O HOH 55 35.804 -9.390 -4.966 1.00 32.71 O HETATM 1140 O HOH 56 13.353 3.955 -18.967 1.00 39.01 O HETATM 1141 O HOH 57 29.883 -0.401 3.929 1.00 32.68 O HETATM 1142 O HOH 58 36.244 0.038 5.329 1.00 31.59 O HETATM 1143 O HOH 59 23.615 -8.485 2.753 1.00 35.88 O HETATM 1144 O HOH 60 25.275 -10.094 -9.698 1.00 29.45 O HETATM 1145 O HOH 61 9.947 1.560 -18.680 1.00 40.32 O HETATM 1146 O HOH 62 15.989 -8.114 -4.511 1.00 34.54 O HETATM 1147 O HOH 63 32.156 -3.941 3.201 1.00 42.39 O HETATM 1148 O HOH 64 32.692 3.255 -2.839 1.00 30.77 O HETATM 1149 O HOH 65 9.875 -1.137 -19.762 1.00 37.77 O HETATM 1150 O HOH 66 29.274 4.738 -15.379 1.00 38.41 O HETATM 1151 O HOH 67 28.039 11.855 -10.211 1.00 24.52 O HETATM 1152 O HOH 68 14.193 -10.022 -13.043 1.00 34.65 O HETATM 1153 O HOH 69 36.862 -5.734 -13.544 1.00 33.53 O HETATM 1154 O HOH 70 16.896 -5.855 3.716 1.00 30.31 O HETATM 1155 O HOH 71 19.601 -7.481 -16.817 1.00 24.00 O HETATM 1156 O HOH 72 18.930 -11.674 -20.022 1.00 37.22 O HETATM 1157 O HOH 73 33.189 -3.109 0.865 1.00 31.98 O HETATM 1158 O HOH 74 17.262 -2.454 -18.607 1.00 31.94 O HETATM 1159 O HOH 75 8.119 -0.515 -22.118 1.00 37.95 O HETATM 1160 O HOH 76 17.487 4.248 8.498 1.00 37.76 O HETATM 1161 O HOH 77 13.493 5.787 -4.154 1.00 18.05 O HETATM 1162 O HOH 78 28.248 -2.001 -17.277 1.00 16.99 O HETATM 1163 O HOH 79 32.144 -7.994 -12.800 1.00 18.39 O HETATM 1164 O HOH 80 26.015 -8.914 -20.178 1.00 27.12 O HETATM 1165 O HOH 81 29.805 -0.460 -19.070 1.00 23.26 O HETATM 1166 O HOH 82 34.259 -8.449 -14.839 1.00 28.70 O HETATM 1167 O HOH 83 35.098 -10.785 -15.585 1.00 28.72 O HETATM 1168 O HOH 84 18.898 4.971 -22.106 1.00 32.30 O HETATM 1169 O HOH 85 29.026 2.338 -18.763 1.00 30.34 O HETATM 1170 O HOH 86 23.722 5.598 -23.985 1.00 40.16 O HETATM 1171 O HOH 87 28.731 -13.983 -7.339 1.00 29.20 O HETATM 1172 O HOH 88 30.962 -11.708 -3.505 1.00 38.13 O HETATM 1173 O HOH 89 33.730 -10.635 -10.735 1.00 31.30 O HETATM 1174 O HOH 90 22.748 -5.378 -22.830 1.00 42.04 O HETATM 1175 O HOH 91 30.540 -13.500 -4.989 1.00 34.98 O HETATM 1176 O HOH 92 24.292 -7.013 -20.797 1.00 22.54 O HETATM 1177 O HOH 93 26.560 -12.709 -6.297 1.00 33.70 O HETATM 1178 N VAL A 94 21.175 4.342 -23.499 1.00 0.24 N HETATM 1179 CA VAL A 94 20.990 2.851 -23.570 1.00 0.07 C HETATM 1180 CB VAL A 94 21.722 2.289 -24.810 1.00 0.01 C HETATM 1181 CG2 VAL A 94 21.197 2.936 -26.094 1.00 -0.06 C HETATM 1182 H9 VAL A 94 21.279 4.030 -26.013 1.00 0.02 H HETATM 1183 H10 VAL A 94 20.143 2.657 -26.241 1.00 0.02 H HETATM 1184 H11 VAL A 94 21.792 2.586 -26.951 1.00 0.02 H HETATM 1185 CG1 VAL A 94 21.623 0.743 -24.885 1.00 -0.06 C HETATM 1186 H6 VAL A 94 22.155 0.385 -25.779 1.00 0.02 H HETATM 1187 H7 VAL A 94 20.566 0.446 -24.944 1.00 0.02 H HETATM 1188 H8 VAL A 94 22.078 0.302 -23.986 1.00 0.02 H HETATM 1189 H5 VAL A 94 22.786 2.549 -24.714 1.00 0.04 H HETATM 1190 C VAL A 94 21.612 2.278 -22.314 1.00 0.23 C HETATM 1191 O VAL A 94 22.721 2.685 -21.969 1.00 -0.39 O HETATM 1192 N VAL A 94 20.928 1.333 -21.629 1.00 -0.25 N HETATM 1193 CA VAL A 94 21.536 0.698 -20.447 1.00 0.13 C HETATM 1194 C VAL A 94 22.805 -0.089 -20.838 1.00 0.21 C HETATM 1195 O VAL A 94 22.769 -0.818 -21.856 1.00 -0.39 O HETATM 1196 N VAL A 94 23.911 0.062 -20.062 1.00 -0.25 N HETATM 1197 CA VAL A 94 25.182 -0.616 -20.337 1.00 0.13 C HETATM 1198 C VAL A 94 25.027 -2.134 -20.091 1.00 0.21 C HETATM 1199 O VAL A 94 24.113 -2.567 -19.428 1.00 -0.39 O HETATM 1200 N VAL A 94 25.968 -2.925 -20.612 1.00 -0.25 N HETATM 1201 CA VAL A 94 25.877 -4.378 -20.422 1.00 0.13 C HETATM 1202 C VAL A 94 26.083 -4.666 -18.950 1.00 0.20 C HETATM 1203 O VAL A 94 26.776 -3.904 -18.253 1.00 -0.39 O HETATM 1204 N VAL A 94 25.464 -5.719 -18.461 1.00 -0.26 N HETATM 1205 CA VAL A 94 25.588 -6.093 -17.058 1.00 0.13 C HETATM 1206 CB VAL A 94 24.336 -6.894 -16.582 1.00 -0.01 C HETATM 1207 CG2 VAL A 94 23.055 -6.111 -16.893 1.00 -0.06 C HETATM 1208 H39 VAL A 94 23.020 -5.877 -17.967 1.00 0.02 H HETATM 1209 H40 VAL A 94 23.047 -5.176 -16.314 1.00 0.02 H HETATM 1210 H41 VAL A 94 22.179 -6.718 -16.621 1.00 0.02 H HETATM 1211 CG1 VAL A 94 24.434 -7.240 -15.120 1.00 -0.06 C HETATM 1212 H36 VAL A 94 23.539 -7.803 -14.816 1.00 0.02 H HETATM 1213 H37 VAL A 94 24.505 -6.315 -14.528 1.00 0.02 H HETATM 1214 H38 VAL A 94 25.330 -7.855 -14.948 1.00 0.02 H HETATM 1215 H35 VAL A 94 24.301 -7.837 -17.147 1.00 0.03 H HETATM 1216 C VAL A 94 26.812 -6.977 -16.962 1.00 0.21 C HETATM 1217 O VAL A 94 26.932 -7.965 -17.729 1.00 -0.39 O HETATM 1218 N VAL A 94 27.735 -6.629 -16.051 1.00 -0.25 N HETATM 1219 CA VAL A 94 28.963 -7.407 -15.852 1.00 0.13 C HETATM 1220 C VAL A 94 28.692 -8.719 -15.091 1.00 0.21 C HETATM 1221 O VAL A 94 27.622 -8.870 -14.510 1.00 -0.39 O HETATM 1222 N VAL A 94 29.666 -9.645 -15.063 1.00 -0.25 N HETATM 1223 CA VAL A 94 29.594 -10.850 -14.204 1.00 0.13 C HETATM 1224 C VAL A 94 29.399 -10.401 -12.766 1.00 0.21 C HETATM 1225 O VAL A 94 29.905 -9.314 -12.381 1.00 -0.39 O HETATM 1226 N VAL A 94 28.638 -11.161 -11.980 1.00 -0.25 N HETATM 1227 CA VAL A 94 28.453 -10.820 -10.561 1.00 0.13 C HETATM 1228 C VAL A 94 29.799 -10.838 -9.844 1.00 0.21 C HETATM 1229 O VAL A 94 30.789 -11.348 -10.413 1.00 -0.39 O HETATM 1230 N VAL A 94 29.858 -10.356 -8.597 1.00 -0.25 N HETATM 1231 CA VAL A 94 31.095 -10.400 -7.847 1.00 0.13 C HETATM 1232 C VAL A 94 31.592 -11.825 -7.610 1.00 0.20 C HETATM 1233 O VAL A 94 30.784 -12.767 -7.461 1.00 -0.39 O HETATM 1234 N VAL A 94 32.914 -11.965 -7.594 1.00 -0.26 N HETATM 1235 CA VAL A 94 33.572 -13.270 -7.358 1.00 0.17 C HETATM 1236 CB VAL A 94 35.054 -13.286 -7.843 1.00 0.09 C HETATM 1237 OG VAL A 94 35.169 -13.085 -9.240 1.00 -0.39 O HETATM 1238 H74 VAL A 94 34.794 -12.243 -9.470 1.00 0.21 H HETATM 1239 H72 VAL A 94 35.498 -14.260 -7.589 1.00 0.06 H HETATM 1240 H73 VAL A 94 35.603 -12.486 -7.325 1.00 0.06 H HETATM 1241 C VAL A 94 33.576 -13.684 -5.893 1.00 0.26 C HETATM 1242 O VAL A 94 34.469 -14.447 -5.500 1.00 -0.37 O HETATM 1243 O1 VAL A 94 32.644 -13.238 -5.056 1.00 -0.29 O HETATM 1244 H75 VAL A 94 32.045 -12.668 -5.525 1.00 0.25 H HETATM 1245 H71 VAL A 94 33.011 -14.025 -7.928 1.00 0.08 H HETATM 1246 H70 VAL A 94 33.485 -11.159 -7.747 1.00 0.19 H HETATM 1247 CB VAL A 94 30.714 -9.773 -6.503 1.00 -0.01 C HETATM 1248 CG VAL A 94 29.486 -9.033 -6.714 1.00 -0.03 C HETATM 1249 CD VAL A 94 28.779 -9.728 -7.811 1.00 0.04 C HETATM 1250 H68 VAL A 94 28.093 -10.490 -7.412 1.00 0.05 H HETATM 1251 H69 VAL A 94 28.214 -9.012 -8.426 1.00 0.05 H HETATM 1252 H66 VAL A 94 28.874 -9.038 -5.800 1.00 0.03 H HETATM 1253 H67 VAL A 94 29.709 -7.995 -7.000 1.00 0.03 H HETATM 1254 H64 VAL A 94 31.510 -9.095 -6.163 1.00 0.03 H HETATM 1255 H65 VAL A 94 30.556 -10.559 -5.750 1.00 0.03 H HETATM 1256 H63 VAL A 94 31.878 -9.817 -8.355 1.00 0.08 H HETATM 1257 CB VAL A 94 27.631 -12.001 -10.022 1.00 -0.01 C HETATM 1258 CG VAL A 94 27.167 -12.793 -11.183 1.00 -0.03 C HETATM 1259 CD VAL A 94 27.871 -12.354 -12.398 1.00 0.04 C HETATM 1260 H61 VAL A 94 28.547 -13.142 -12.760 1.00 0.05 H HETATM 1261 H62 VAL A 94 27.153 -12.095 -13.190 1.00 0.05 H HETATM 1262 H59 VAL A 94 27.375 -13.858 -11.005 1.00 0.03 H HETATM 1263 H60 VAL A 94 26.085 -12.648 -11.315 1.00 0.03 H HETATM 1264 H57 VAL A 94 26.766 -11.627 -9.454 1.00 0.03 H HETATM 1265 H58 VAL A 94 28.257 -12.626 -9.368 1.00 0.03 H HETATM 1266 H56 VAL A 94 27.943 -9.854 -10.430 1.00 0.08 H HETATM 1267 CB VAL A 94 30.993 -11.519 -14.385 1.00 -0.01 C HETATM 1268 CG VAL A 94 31.480 -11.005 -15.717 1.00 -0.03 C HETATM 1269 CD VAL A 94 30.929 -9.583 -15.830 1.00 0.04 C HETATM 1270 H54 VAL A 94 31.624 -8.855 -15.386 1.00 0.05 H HETATM 1271 H55 VAL A 94 30.739 -9.316 -16.880 1.00 0.05 H HETATM 1272 H52 VAL A 94 32.580 -10.995 -15.747 1.00 0.03 H HETATM 1273 H53 VAL A 94 31.096 -11.632 -16.535 1.00 0.03 H HETATM 1274 H50 VAL A 94 30.902 -12.615 -14.399 1.00 0.03 H HETATM 1275 H51 VAL A 94 31.677 -11.218 -13.577 1.00 0.03 H HETATM 1276 H49 VAL A 94 28.782 -11.525 -14.511 1.00 0.08 H HETATM 1277 CB VAL A 94 29.813 -6.478 -14.963 1.00 -0.01 C HETATM 1278 CG VAL A 94 28.804 -5.755 -14.143 1.00 -0.03 C HETATM 1279 CD VAL A 94 27.659 -5.477 -15.118 1.00 0.04 C HETATM 1280 H47 VAL A 94 26.691 -5.453 -14.596 1.00 0.05 H HETATM 1281 H48 VAL A 94 27.813 -4.526 -15.649 1.00 0.05 H HETATM 1282 H45 VAL A 94 28.461 -6.381 -13.306 1.00 0.03 H HETATM 1283 H46 VAL A 94 29.220 -4.815 -13.752 1.00 0.03 H HETATM 1284 H43 VAL A 94 30.397 -5.775 -15.575 1.00 0.03 H HETATM 1285 H44 VAL A 94 30.493 -7.061 -14.324 1.00 0.03 H HETATM 1286 H42 VAL A 94 29.458 -7.623 -16.810 1.00 0.08 H HETATM 1287 H34 VAL A 94 25.711 -5.195 -16.435 1.00 0.08 H HETATM 1288 H33 VAL A 94 24.895 -6.276 -19.066 1.00 0.19 H HETATM 1289 CB VAL A 94 27.069 -4.900 -21.214 1.00 -0.01 C HETATM 1290 CG VAL A 94 28.109 -3.707 -21.135 1.00 -0.03 C HETATM 1291 CD VAL A 94 27.193 -2.508 -21.331 1.00 0.04 C HETATM 1292 H31 VAL A 94 27.626 -1.599 -20.887 1.00 0.05 H HETATM 1293 H32 VAL A 94 26.989 -2.333 -22.398 1.00 0.05 H HETATM 1294 H29 VAL A 94 28.613 -3.675 -20.158 1.00 0.03 H HETATM 1295 H30 VAL A 94 28.862 -3.775 -21.934 1.00 0.03 H HETATM 1296 H27 VAL A 94 26.788 -5.110 -22.257 1.00 0.03 H HETATM 1297 H28 VAL A 94 27.479 -5.811 -20.754 1.00 0.03 H HETATM 1298 H26 VAL A 94 24.924 -4.793 -20.781 1.00 0.08 H HETATM 1299 CB VAL A 94 26.140 -0.030 -19.289 1.00 -0.01 C HETATM 1300 CG VAL A 94 25.272 0.415 -18.197 1.00 -0.03 C HETATM 1301 CD VAL A 94 23.973 0.856 -18.819 1.00 0.04 C HETATM 1302 H24 VAL A 94 23.122 0.626 -18.161 1.00 0.05 H HETATM 1303 H25 VAL A 94 23.986 1.934 -19.039 1.00 0.05 H HETATM 1304 H22 VAL A 94 25.093 -0.413 -17.495 1.00 0.03 H HETATM 1305 H23 VAL A 94 25.739 1.255 -17.662 1.00 0.03 H HETATM 1306 H20 VAL A 94 26.701 0.818 -19.708 1.00 0.03 H HETATM 1307 H21 VAL A 94 26.845 -0.797 -18.936 1.00 0.03 H HETATM 1308 H19 VAL A 94 25.531 -0.424 -21.362 1.00 0.08 H HETATM 1309 CB VAL A 94 20.452 -0.259 -19.960 1.00 -0.01 C HETATM 1310 CG VAL A 94 19.202 0.110 -20.719 1.00 -0.03 C HETATM 1311 CD VAL A 94 19.584 0.785 -21.961 1.00 0.04 C HETATM 1312 H17 VAL A 94 19.640 0.074 -22.799 1.00 0.05 H HETATM 1313 H18 VAL A 94 18.877 1.590 -22.210 1.00 0.05 H HETATM 1314 H15 VAL A 94 18.630 -0.800 -20.954 1.00 0.03 H HETATM 1315 H16 VAL A 94 18.584 0.784 -20.107 1.00 0.03 H HETATM 1316 H13 VAL A 94 20.293 -0.138 -18.878 1.00 0.03 H HETATM 1317 H14 VAL A 94 20.736 -1.300 -20.174 1.00 0.03 H HETATM 1318 H12 VAL A 94 21.783 1.445 -19.679 1.00 0.08 H HETATM 1319 H4 VAL A 94 19.921 2.598 -23.621 1.00 0.11 H HETATM 1320 H1 VAL A 94 20.774 4.770 -24.319 1.00 0.20 H HETATM 1321 H2 VAL A 94 22.159 4.557 -23.455 1.00 0.20 H HETATM 1322 H3 VAL A 94 20.716 4.699 -22.676 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 1178 1179 1320 1321 1322 CONECT 1179 1178 1180 1190 1319 CONECT 1180 1179 1181 1185 1189 CONECT 1181 1180 1182 1183 1184 CONECT 1182 1181 CONECT 1183 1181 CONECT 1184 1181 CONECT 1185 1180 1186 1187 1188 CONECT 1186 1185 CONECT 1187 1185 CONECT 1188 1185 CONECT 1189 1180 CONECT 1190 1179 1191 1192 CONECT 1191 1190 CONECT 1192 1190 1193 1311 CONECT 1193 1192 1194 1309 1318 CONECT 1194 1193 1195 1196 CONECT 1195 1194 CONECT 1196 1194 1197 1301 CONECT 1197 1196 1198 1299 1308 CONECT 1198 1197 1199 1200 CONECT 1199 1198 CONECT 1200 1198 1201 1291 CONECT 1201 1200 1202 1289 1298 CONECT 1202 1201 1203 1204 CONECT 1203 1202 CONECT 1204 1202 1205 1288 CONECT 1205 1204 1206 1216 1287 CONECT 1206 1205 1207 1211 1215 CONECT 1207 1206 1208 1209 1210 CONECT 1208 1207 CONECT 1209 1207 CONECT 1210 1207 CONECT 1211 1206 1212 1213 1214 CONECT 1212 1211 CONECT 1213 1211 CONECT 1214 1211 CONECT 1215 1206 CONECT 1216 1205 1217 1218 CONECT 1217 1216 CONECT 1218 1216 1219 1279 CONECT 1219 1218 1220 1277 1286 CONECT 1220 1219 1221 1222 CONECT 1221 1220 CONECT 1222 1220 1223 1269 CONECT 1223 1222 1224 1267 1276 CONECT 1224 1223 1225 1226 CONECT 1225 1224 CONECT 1226 1224 1227 1259 CONECT 1227 1226 1228 1257 1266 CONECT 1228 1227 1229 1230 CONECT 1229 1228 CONECT 1230 1228 1231 1249 CONECT 1231 1230 1232 1247 1256 CONECT 1232 1231 1233 1234 CONECT 1233 1232 CONECT 1234 1232 1235 1246 CONECT 1235 1234 1236 1241 1245 CONECT 1236 1235 1237 1239 1240 CONECT 1237 1236 1238 CONECT 1238 1237 CONECT 1239 1236 CONECT 1240 1236 CONECT 1241 1235 1242 1243 CONECT 1242 1241 CONECT 1243 1241 1244 CONECT 1244 1243 CONECT 1245 1235 CONECT 1246 1234 CONECT 1247 1231 1248 1254 1255 CONECT 1248 1247 1249 1252 1253 CONECT 1249 1230 1248 1250 1251 CONECT 1250 1249 CONECT 1251 1249 CONECT 1252 1248 CONECT 1253 1248 CONECT 1254 1247 CONECT 1255 1247 CONECT 1256 1231 CONECT 1257 1227 1258 1264 1265 CONECT 1258 1257 1259 1262 1263 CONECT 1259 1226 1258 1260 1261 CONECT 1260 1259 CONECT 1261 1259 CONECT 1262 1258 CONECT 1263 1258 CONECT 1264 1257 CONECT 1265 1257 CONECT 1266 1227 CONECT 1267 1223 1268 1274 1275 CONECT 1268 1267 1269 1272 1273 CONECT 1269 1222 1268 1270 1271 CONECT 1270 1269 CONECT 1271 1269 CONECT 1272 1268 CONECT 1273 1268 CONECT 1274 1267 CONECT 1275 1267 CONECT 1276 1223 CONECT 1277 1219 1278 1284 1285 CONECT 1278 1277 1279 1282 1283 CONECT 1279 1218 1278 1280 1281 CONECT 1280 1279 CONECT 1281 1279 CONECT 1282 1278 CONECT 1283 1278 CONECT 1284 1277 CONECT 1285 1277 CONECT 1286 1219 CONECT 1287 1205 CONECT 1288 1204 CONECT 1289 1201 1290 1296 1297 CONECT 1290 1289 1291 1294 1295 CONECT 1291 1200 1290 1292 1293 CONECT 1292 1291 CONECT 1293 1291 CONECT 1294 1290 CONECT 1295 1290 CONECT 1296 1289 CONECT 1297 1289 CONECT 1298 1201 CONECT 1299 1197 1300 1306 1307 CONECT 1300 1299 1301 1304 1305 CONECT 1301 1196 1300 1302 1303 CONECT 1302 1301 CONECT 1303 1301 CONECT 1304 1300 CONECT 1305 1300 CONECT 1306 1299 CONECT 1307 1299 CONECT 1308 1197 CONECT 1309 1193 1310 1316 1317 CONECT 1310 1309 1311 1314 1315 CONECT 1311 1192 1310 1312 1313 CONECT 1312 1311 CONECT 1313 1311 CONECT 1314 1310 CONECT 1315 1310 CONECT 1316 1309 CONECT 1317 1309 CONECT 1318 1193 CONECT 1319 1179 CONECT 1320 1178 CONECT 1321 1178 CONECT 1322 1178 MASTER 0 0 0 0 0 0 0 0 1321 1 149 6 END
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Entry Information
PDB ID
2o9v
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Ponsin
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.63(Å)
Affinity (Kd/Ki/IC50)
Kd=288uM
Release Year
2007
Protein/NA Sequence
Check fasta file
Primary Reference
(2007) J.Mol.Biol. Vol. 369: pp. 665-682
Ligand Properties
Formula
C
4
8
H
7
5
N
1
0
O
1
2
Molecular Weight
984.169
Exact Mass
983.557
No. of atoms
145
No. of bonds
151
Polar Surface Area
285.54
LOGP Value
-2.27 (
Computed with XLOGP3
)
-1.76 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 26
No. of Nitrogen and Oxygen Atoms: 22
No. of Rings: 7
Canonical SMILES
OC[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH3+]
InChI String
InChI=1S/C48H74N10O12/c1-27(2)37(49)46(67)57-24-10-17-35(57)44(65)55-22-8-15-33(55)42(63)53-20-6-13-31(53)40(61)51-38(28(3)4)47(68)58-25-11-18-36(58)45(66)56-23-9-16-34(56)43(64)54-21-7-14-32(54)41(62)52-19-5-12-30(52)39(60)50-29(26-59)48(69)70/h27-38,59H,5-26,49H2,1-4H3,(H,50,60)(H,51,61)(H,69,70)/p+1/t29-,30-,31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
Links to External Databases
RCSB PDB
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PDBsum
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UniProtKB AC
UniProt accession number (AC):
Q9BX66
P49023
Entrez Gene ID
NCBI Entrez Gene ID:
10580
5829
ASD
Information of known allosteric effects of PDB entries
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