Browse entries in the PDBbind-CN Database
HEADER 5W7X_COMPLEX COMPND 5W7X_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 D 102 GLY GLY PHE GLU LEU GLN PRO ARG ASP GLY GLY PRO ARG SEQRES 2 D 102 VAL ALA LEU ALA PRO GLY GLU THR VAL ILE GLY ARG GLY SEQRES 3 D 102 PRO LEU LEU GLY ILE THR ASP LYS ARG VAL SER ARG ARG SEQRES 4 D 102 HIS ALA ILE LEU GLU VAL ALA GLY GLY GLN LEU ARG ILE SEQRES 5 D 102 LYS PRO ILE HIS THR ASN PRO CYS PHE TYR GLN SER SER SEQRES 6 D 102 GLU LYS SER GLN LEU LEU PRO LEU LYS PRO ASN LEU TRP SEQRES 7 D 102 CYS TYR LEU ASN PRO GLY ASP SER PHE SER LEU LEU VAL SEQRES 8 D 102 ASP LYS TYR ILE PHE ARG ILE LEU SER ILE PRO HET PRO A 203 98 ATOM 1 N GLY D 3 -1.090 -7.648 -15.272 1.00 55.06 N ATOM 2 CA GLY D 3 -2.030 -7.273 -14.232 1.00 51.19 C ATOM 3 C GLY D 3 -3.076 -6.287 -14.714 1.00 51.01 C ATOM 4 O GLY D 3 -2.746 -5.288 -15.355 1.00 57.45 O ATOM 5 HN3 GLY D 3 -0.595 -6.799 -15.612 1.00 0.00 H ATOM 6 HN2 GLY D 3 -1.605 -8.090 -16.060 1.00 0.00 H ATOM 7 HN1 GLY D 3 -0.399 -8.323 -14.886 1.00 0.00 H ATOM 8 N GLY D 4 -4.342 -6.570 -14.405 1.00 48.19 N ATOM 9 CA GLY D 4 -5.447 -5.716 -14.773 1.00 32.35 C ATOM 10 C GLY D 4 -6.062 -5.023 -13.567 1.00 33.47 C ATOM 11 O GLY D 4 -5.654 -5.206 -12.422 1.00 32.89 O ATOM 12 H GLY D 4 -4.542 -7.443 -13.876 1.00 0.00 H ATOM 13 N PHE D 5 -7.080 -4.213 -13.856 1.00 29.15 N ATOM 14 CA PHE D 5 -7.703 -3.377 -12.841 1.00 27.43 C ATOM 15 C PHE D 5 -9.196 -3.261 -13.097 1.00 28.66 C ATOM 16 O PHE D 5 -9.654 -3.316 -14.241 1.00 27.45 O ATOM 17 CB PHE D 5 -7.085 -1.973 -12.815 1.00 29.12 C ATOM 18 CG PHE D 5 -5.606 -1.969 -12.579 1.00 25.53 C ATOM 19 CD1 PHE D 5 -4.724 -2.093 -13.637 1.00 27.86 C ATOM 20 CD2 PHE D 5 -5.097 -1.846 -11.297 1.00 27.25 C ATOM 21 CE1 PHE D 5 -3.359 -2.094 -13.423 1.00 28.15 C ATOM 22 CE2 PHE D 5 -3.733 -1.845 -11.077 1.00 32.78 C ATOM 23 CZ PHE D 5 -2.864 -1.969 -12.143 1.00 24.47 C ATOM 24 H PHE D 5 -7.438 -4.177 -14.832 1.00 0.00 H ATOM 25 N GLU D 6 -9.948 -3.101 -12.009 1.00 22.47 N ATOM 26 CA GLU D 6 -11.356 -2.745 -12.061 1.00 25.99 C ATOM 27 C GLU D 6 -11.581 -1.523 -11.184 1.00 27.76 C ATOM 28 O GLU D 6 -10.813 -1.250 -10.258 1.00 32.71 O ATOM 29 CB GLU D 6 -12.266 -3.886 -11.578 1.00 29.58 C ATOM 30 CG GLU D 6 -12.040 -5.212 -12.259 1.00 36.41 C ATOM 31 CD GLU D 6 -13.108 -6.230 -11.912 1.00 39.00 C ATOM 32 OE1 GLU D 6 -13.583 -6.222 -10.756 1.00 44.82 O ATOM 33 OE2 GLU D 6 -13.480 -7.028 -12.796 1.00 46.67 O ATOM 34 H GLU D 6 -9.506 -3.237 -11.077 1.00 0.00 H ATOM 35 N LEU D 7 -12.644 -0.785 -11.486 1.00 22.28 N ATOM 36 CA LEU D 7 -13.076 0.331 -10.658 1.00 28.59 C ATOM 37 C LEU D 7 -14.298 -0.091 -9.857 1.00 31.87 C ATOM 38 O LEU D 7 -15.237 -0.675 -10.408 1.00 29.26 O ATOM 39 CB LEU D 7 -13.402 1.562 -11.505 1.00 26.59 C ATOM 40 CG LEU D 7 -12.298 2.088 -12.419 1.00 28.62 C ATOM 41 CD1 LEU D 7 -12.751 3.376 -13.101 1.00 24.94 C ATOM 42 CD2 LEU D 7 -11.011 2.317 -11.646 1.00 27.03 C ATOM 43 H LEU D 7 -13.186 -1.013 -12.344 1.00 0.00 H ATOM 44 N GLN D 8 -14.276 0.194 -8.561 1.00 33.02 N ATOM 45 CA GLN D 8 -15.406 -0.092 -7.688 1.00 31.34 C ATOM 46 C GLN D 8 -15.994 1.223 -7.198 1.00 26.79 C ATOM 47 O GLN D 8 -15.352 1.913 -6.390 1.00 30.06 O ATOM 48 CB GLN D 8 -14.966 -0.958 -6.505 1.00 37.00 C ATOM 49 CG GLN D 8 -16.029 -1.146 -5.427 1.00 39.96 C ATOM 50 CD GLN D 8 -17.285 -1.806 -5.953 1.00 34.94 C ATOM 51 OE1 GLN D 8 -17.250 -2.943 -6.420 1.00 37.00 O ATOM 52 NE2 GLN D 8 -18.407 -1.093 -5.882 1.00 32.90 N ATOM 53 HE22 GLN D 8 -18.389 -0.134 -5.479 1.00 0.00 H ATOM 54 HE21 GLN D 8 -19.301 -1.494 -6.230 1.00 0.00 H ATOM 55 H GLN D 8 -13.426 0.635 -8.156 1.00 0.00 H ATOM 56 N PRO D 9 -17.179 1.629 -7.657 1.00 30.41 N ATOM 57 CA PRO D 9 -17.785 2.851 -7.117 1.00 28.43 C ATOM 58 C PRO D 9 -17.915 2.767 -5.604 1.00 35.45 C ATOM 59 O PRO D 9 -18.265 1.724 -5.049 1.00 34.47 O ATOM 60 CB PRO D 9 -19.156 2.903 -7.802 1.00 30.46 C ATOM 61 CG PRO D 9 -18.999 2.098 -9.041 1.00 37.58 C ATOM 62 CD PRO D 9 -18.010 1.020 -8.712 1.00 33.63 C ATOM 63 N ARG D 10 -17.621 3.882 -4.933 1.00 40.26 N ATOM 64 CA ARG D 10 -17.675 3.899 -3.476 1.00 40.56 C ATOM 65 C ARG D 10 -19.072 3.598 -2.948 1.00 41.75 C ATOM 66 O ARG D 10 -19.204 3.151 -1.803 1.00 48.42 O ATOM 67 CB ARG D 10 -17.191 5.253 -2.948 1.00 43.35 C ATOM 68 CG ARG D 10 -17.352 5.432 -1.440 1.00 44.89 C ATOM 69 CD ARG D 10 -16.714 6.725 -0.960 1.00 44.87 C ATOM 70 NE ARG D 10 -15.255 6.652 -0.948 1.00 44.18 N ATOM 71 CZ ARG D 10 -14.455 7.688 -0.712 1.00 48.24 C ATOM 72 NH1 ARG D 10 -14.967 8.888 -0.472 1.00 45.92 N ATOM 73 NH2 ARG D 10 -13.139 7.526 -0.721 1.00 45.83 N ATOM 74 HE ARG D 10 -14.813 5.730 -1.136 1.00 0.00 H ATOM 75 HH12 ARG D 10 -14.337 9.695 -0.288 1.00 0.00 H ATOM 76 HH11 ARG D 10 -15.998 9.022 -0.468 1.00 0.00 H ATOM 77 HH22 ARG D 10 -12.514 8.337 -0.536 1.00 0.00 H ATOM 78 HH21 ARG D 10 -12.732 6.588 -0.913 1.00 0.00 H ATOM 79 H ARG D 10 -17.352 4.743 -5.451 1.00 0.00 H ATOM 80 N ASP D 11 -20.115 3.824 -3.751 1.00 44.19 N ATOM 81 CA ASP D 11 -21.483 3.580 -3.308 1.00 48.09 C ATOM 82 C ASP D 11 -21.875 2.107 -3.353 1.00 52.04 C ATOM 83 O ASP D 11 -22.954 1.758 -2.863 1.00 53.38 O ATOM 84 CB ASP D 11 -22.470 4.401 -4.151 1.00 54.67 C ATOM 85 CG ASP D 11 -22.433 4.046 -5.632 1.00 51.38 C ATOM 86 OD1 ASP D 11 -21.998 2.930 -5.987 1.00 45.84 O ATOM 87 OD2 ASP D 11 -22.857 4.893 -6.447 1.00 59.75 O ATOM 88 H ASP D 11 -19.948 4.182 -4.713 1.00 0.00 H ATOM 89 N GLY D 12 -21.038 1.243 -3.926 1.00 47.33 N ATOM 90 CA GLY D 12 -21.304 -0.180 -3.966 1.00 46.34 C ATOM 91 C GLY D 12 -21.854 -0.702 -5.276 1.00 44.46 C ATOM 92 O GLY D 12 -22.139 -1.902 -5.371 1.00 47.92 O ATOM 93 H GLY D 12 -20.164 1.603 -4.359 1.00 0.00 H ATOM 94 N GLY D 13 -22.010 0.151 -6.285 1.00 40.19 N ATOM 95 CA GLY D 13 -22.564 -0.258 -7.554 1.00 42.47 C ATOM 96 C GLY D 13 -21.675 -1.224 -8.318 1.00 36.45 C ATOM 97 O GLY D 13 -20.653 -1.701 -7.816 1.00 39.87 O ATOM 98 H GLY D 13 -21.724 1.143 -6.156 1.00 0.00 H ATOM 99 N PRO D 14 -22.056 -1.524 -9.561 1.00 33.30 N ATOM 100 CA PRO D 14 -21.318 -2.521 -10.348 1.00 28.43 C ATOM 101 C PRO D 14 -19.880 -2.105 -10.628 1.00 36.98 C ATOM 102 O PRO D 14 -19.559 -0.919 -10.736 1.00 31.12 O ATOM 103 CB PRO D 14 -22.124 -2.614 -11.649 1.00 31.99 C ATOM 104 CG PRO D 14 -23.480 -2.090 -11.308 1.00 40.16 C ATOM 105 CD PRO D 14 -23.263 -1.050 -10.258 1.00 40.77 C ATOM 106 N ARG D 15 -19.019 -3.112 -10.771 1.00 27.63 N ATOM 107 CA ARG D 15 -17.620 -2.890 -11.112 1.00 32.75 C ATOM 108 C ARG D 15 -17.482 -2.460 -12.569 1.00 31.55 C ATOM 109 O ARG D 15 -18.276 -2.843 -13.432 1.00 31.34 O ATOM 110 CB ARG D 15 -16.802 -4.164 -10.886 1.00 35.31 C ATOM 111 CG ARG D 15 -16.938 -4.783 -9.502 1.00 41.70 C ATOM 112 CD ARG D 15 -15.709 -4.526 -8.652 1.00 41.00 C ATOM 113 NE ARG D 15 -15.773 -5.212 -7.362 1.00 48.63 N ATOM 114 CZ ARG D 15 -15.234 -6.402 -7.102 1.00 51.08 C ATOM 115 NH1 ARG D 15 -14.577 -7.072 -8.040 1.00 51.79 N ATOM 116 NH2 ARG D 15 -15.352 -6.928 -5.891 1.00 49.63 N ATOM 117 HE ARG D 15 -16.278 -4.734 -6.589 1.00 0.00 H ATOM 118 HH12 ARG D 15 -14.162 -8.000 -7.822 1.00 0.00 H ATOM 119 HH11 ARG D 15 -14.477 -6.669 -8.994 1.00 0.00 H ATOM 120 HH22 ARG D 15 -14.932 -7.857 -5.684 1.00 0.00 H ATOM 121 HH21 ARG D 15 -15.864 -6.412 -5.147 1.00 0.00 H ATOM 122 H ARG D 15 -19.356 -4.086 -10.635 1.00 0.00 H ATOM 123 N VAL D 16 -16.448 -1.669 -12.842 1.00 30.65 N ATOM 124 CA VAL D 16 -16.141 -1.199 -14.189 1.00 31.00 C ATOM 125 C VAL D 16 -14.817 -1.817 -14.616 1.00 34.97 C ATOM 126 O VAL D 16 -13.778 -1.578 -13.987 1.00 28.79 O ATOM 127 CB VAL D 16 -16.081 0.335 -14.256 1.00 33.31 C ATOM 128 CG1 VAL D 16 -15.656 0.800 -15.642 1.00 29.88 C ATOM 129 CG2 VAL D 16 -17.433 0.933 -13.881 1.00 31.15 C ATOM 130 H VAL D 16 -15.830 -1.372 -12.060 1.00 0.00 H ATOM 131 N ALA D 17 -14.852 -2.598 -15.692 1.00 29.74 N ATOM 132 CA ALA D 17 -13.646 -3.212 -16.225 1.00 34.55 C ATOM 133 C ALA D 17 -12.878 -2.217 -17.085 1.00 32.14 C ATOM 134 O ALA D 17 -13.469 -1.447 -17.847 1.00 32.78 O ATOM 135 CB ALA D 17 -13.998 -4.450 -17.050 1.00 35.64 C ATOM 136 H ALA D 17 -15.762 -2.774 -16.163 1.00 0.00 H ATOM 137 N LEU D 18 -11.553 -2.234 -16.955 1.00 30.00 N ATOM 138 CA LEU D 18 -10.674 -1.367 -17.728 1.00 32.21 C ATOM 139 C LEU D 18 -9.839 -2.207 -18.684 1.00 35.97 C ATOM 140 O LEU D 18 -9.220 -3.196 -18.275 1.00 37.03 O ATOM 141 CB LEU D 18 -9.762 -0.549 -16.811 1.00 30.87 C ATOM 142 CG LEU D 18 -10.457 0.449 -15.884 1.00 30.44 C ATOM 143 CD1 LEU D 18 -9.437 1.103 -14.966 1.00 32.21 C ATOM 144 CD2 LEU D 18 -11.209 1.501 -16.682 1.00 28.84 C ATOM 145 H LEU D 18 -11.128 -2.894 -16.273 1.00 0.00 H ATOM 146 N ALA D 19 -9.825 -1.810 -19.950 1.00 37.74 N ATOM 147 CA ALA D 19 -9.026 -2.484 -20.955 1.00 35.34 C ATOM 148 C ALA D 19 -7.594 -1.959 -20.939 1.00 33.64 C ATOM 149 O ALA D 19 -7.331 -0.855 -20.455 1.00 28.52 O ATOM 150 CB ALA D 19 -9.642 -2.277 -22.335 1.00 38.11 C ATOM 151 H ALA D 19 -10.404 -0.992 -20.229 1.00 0.00 H ATOM 152 N PRO D 20 -6.643 -2.733 -21.459 1.00 36.73 N ATOM 153 CA PRO D 20 -5.274 -2.222 -21.574 1.00 31.98 C ATOM 154 C PRO D 20 -5.223 -0.999 -22.474 1.00 36.11 C ATOM 155 O PRO D 20 -6.036 -0.835 -23.387 1.00 37.32 O ATOM 156 CB PRO D 20 -4.497 -3.400 -22.175 1.00 37.03 C ATOM 157 CG PRO D 20 -5.529 -4.258 -22.815 1.00 39.10 C ATOM 158 CD PRO D 20 -6.760 -4.106 -21.977 1.00 41.33 C ATOM 159 N GLY D 21 -4.262 -0.130 -22.195 1.00 27.66 N ATOM 160 CA GLY D 21 -4.106 1.092 -22.953 1.00 33.56 C ATOM 161 C GLY D 21 -4.809 2.266 -22.304 1.00 31.98 C ATOM 162 O GLY D 21 -5.074 2.305 -21.098 1.00 29.55 O ATOM 163 H GLY D 21 -3.606 -0.331 -21.414 1.00 0.00 H ATOM 164 N GLU D 22 -5.121 3.245 -23.146 1.00 26.80 N ATOM 165 CA GLU D 22 -5.724 4.495 -22.714 1.00 37.06 C ATOM 166 C GLU D 22 -7.238 4.447 -22.868 1.00 35.47 C ATOM 167 O GLU D 22 -7.760 3.964 -23.878 1.00 33.20 O ATOM 168 CB GLU D 22 -5.161 5.672 -23.511 1.00 28.59 C ATOM 169 CG GLU D 22 -3.782 6.118 -23.062 1.00 35.28 C ATOM 170 CD GLU D 22 -3.316 7.385 -23.756 1.00 44.63 C ATOM 171 OE1 GLU D 22 -2.286 7.950 -23.329 1.00 44.53 O ATOM 172 OE2 GLU D 22 -3.977 7.818 -24.723 1.00 47.86 O ATOM 173 H GLU D 22 -4.925 3.111 -24.159 1.00 0.00 H ATOM 174 N THR D 23 -7.934 4.960 -21.855 1.00 31.36 N ATOM 175 CA THR D 23 -9.389 5.066 -21.855 1.00 28.64 C ATOM 176 C THR D 23 -9.767 6.460 -21.380 1.00 33.56 C ATOM 177 O THR D 23 -9.381 6.868 -20.280 1.00 26.69 O ATOM 178 CB THR D 23 -10.026 4.009 -20.946 1.00 33.97 C ATOM 179 OG1 THR D 23 -9.637 2.700 -21.375 1.00 34.02 O ATOM 180 CG2 THR D 23 -11.546 4.117 -20.972 1.00 35.16 C ATOM 181 HG1 THR D 23 -8.651 2.619 -21.331 1.00 0.00 H ATOM 182 H THR D 23 -7.414 5.302 -21.022 1.00 0.00 H ATOM 183 N VAL D 24 -10.517 7.185 -22.201 1.00 30.26 N ATOM 184 CA VAL D 24 -11.041 8.487 -21.804 1.00 28.45 C ATOM 185 C VAL D 24 -12.268 8.267 -20.932 1.00 32.43 C ATOM 186 O VAL D 24 -13.171 7.502 -21.293 1.00 31.25 O ATOM 187 CB VAL D 24 -11.375 9.338 -23.039 1.00 30.23 C ATOM 188 CG1 VAL D 24 -11.883 10.708 -22.621 1.00 32.31 C ATOM 189 CG2 VAL D 24 -10.150 9.481 -23.938 1.00 37.74 C ATOM 190 H VAL D 24 -10.736 6.816 -23.149 1.00 0.00 H ATOM 191 N ILE D 25 -12.305 8.928 -19.776 1.00 29.34 N ATOM 192 CA ILE D 25 -13.377 8.734 -18.810 1.00 27.03 C ATOM 193 C ILE D 25 -14.034 10.076 -18.508 1.00 25.74 C ATOM 194 O ILE D 25 -13.501 11.147 -18.806 1.00 23.73 O ATOM 195 CB ILE D 25 -12.888 8.060 -17.512 1.00 31.05 C ATOM 196 CG1 ILE D 25 -11.956 8.984 -16.722 1.00 24.87 C ATOM 197 CG2 ILE D 25 -12.185 6.749 -17.838 1.00 32.38 C ATOM 198 CD1 ILE D 25 -11.650 8.487 -15.327 1.00 25.44 C ATOM 199 H ILE D 25 -11.545 9.603 -19.557 1.00 0.00 H ATOM 200 N GLY D 26 -15.209 9.994 -17.893 1.00 26.23 N ATOM 201 CA GLY D 26 -16.007 11.160 -17.586 1.00 25.61 C ATOM 202 C GLY D 26 -17.469 10.898 -17.875 1.00 24.87 C ATOM 203 O GLY D 26 -17.947 9.772 -17.716 1.00 24.63 O ATOM 204 H GLY D 26 -15.568 9.056 -17.622 1.00 0.00 H ATOM 205 N ARG D 27 -18.187 11.931 -18.307 1.00 28.78 N ATOM 206 CA ARG D 27 -19.584 11.783 -18.692 1.00 29.91 C ATOM 207 C ARG D 27 -19.686 10.861 -19.901 1.00 29.89 C ATOM 208 O ARG D 27 -19.232 11.212 -20.995 1.00 30.51 O ATOM 209 CB ARG D 27 -20.188 13.159 -18.984 1.00 23.26 C ATOM 210 CG ARG D 27 -21.669 13.163 -19.315 1.00 29.09 C ATOM 211 CD ARG D 27 -22.316 14.460 -18.850 1.00 24.20 C ATOM 212 NE ARG D 27 -21.561 15.638 -19.275 1.00 27.31 N ATOM 213 CZ ARG D 27 -21.757 16.295 -20.416 1.00 26.40 C ATOM 214 NH1 ARG D 27 -22.694 15.904 -21.271 1.00 26.59 N ATOM 215 NH2 ARG D 27 -21.012 17.352 -20.704 1.00 25.26 N ATOM 216 HE ARG D 27 -20.816 15.988 -18.639 1.00 0.00 H ATOM 217 HH12 ARG D 27 -22.838 16.425 -22.159 1.00 0.00 H ATOM 218 HH11 ARG D 27 -23.284 15.076 -21.053 1.00 0.00 H ATOM 219 HH22 ARG D 27 -21.163 17.867 -21.595 1.00 0.00 H ATOM 220 HH21 ARG D 27 -20.276 17.666 -20.039 1.00 0.00 H ATOM 221 H ARG D 27 -17.740 12.868 -18.371 1.00 0.00 H ATOM 222 N GLY D 28 -20.258 9.673 -19.713 1.00 28.74 N ATOM 223 CA GLY D 28 -20.362 8.709 -20.783 1.00 33.33 C ATOM 224 C GLY D 28 -20.859 7.353 -20.320 1.00 30.71 C ATOM 225 O GLY D 28 -21.104 7.120 -19.131 1.00 26.55 O ATOM 226 H GLY D 28 -20.638 9.434 -18.775 1.00 0.00 H ATOM 227 N PRO D 29 -21.015 6.424 -21.269 1.00 32.82 N ATOM 228 CA PRO D 29 -21.577 5.109 -20.918 1.00 33.49 C ATOM 229 C PRO D 29 -20.659 4.248 -20.071 1.00 33.26 C ATOM 230 O PRO D 29 -21.161 3.441 -19.279 1.00 32.63 O ATOM 231 CB PRO D 29 -21.841 4.465 -22.287 1.00 36.06 C ATOM 232 CG PRO D 29 -20.929 5.178 -23.230 1.00 29.60 C ATOM 233 CD PRO D 29 -20.840 6.582 -22.722 1.00 34.05 C ATOM 234 N LEU D 30 -19.337 4.378 -20.214 1.00 28.66 N ATOM 235 CA LEU D 30 -18.427 3.507 -19.475 1.00 31.13 C ATOM 236 C LEU D 30 -18.696 3.582 -17.978 1.00 26.32 C ATOM 237 O LEU D 30 -18.899 2.556 -17.319 1.00 27.92 O ATOM 238 CB LEU D 30 -16.973 3.877 -19.783 1.00 27.90 C ATOM 239 CG LEU D 30 -15.908 3.053 -19.051 1.00 27.06 C ATOM 240 CD1 LEU D 30 -16.016 1.573 -19.402 1.00 37.47 C ATOM 241 CD2 LEU D 30 -14.516 3.574 -19.369 1.00 31.02 C ATOM 242 H LEU D 30 -18.954 5.103 -20.854 1.00 0.00 H ATOM 243 N LEU D 31 -18.704 4.791 -17.421 1.00 22.39 N ATOM 244 CA LEU D 31 -18.999 4.976 -16.008 1.00 25.41 C ATOM 245 C LEU D 31 -20.469 5.281 -15.740 1.00 29.22 C ATOM 246 O LEU D 31 -20.888 5.249 -14.578 1.00 24.74 O ATOM 247 CB LEU D 31 -18.129 6.099 -15.435 1.00 23.29 C ATOM 248 CG LEU D 31 -16.617 5.895 -15.585 1.00 25.66 C ATOM 249 CD1 LEU D 31 -15.864 7.099 -15.054 1.00 30.32 C ATOM 250 CD2 LEU D 31 -16.160 4.625 -14.881 1.00 29.17 C ATOM 251 H LEU D 31 -18.495 5.623 -18.009 1.00 0.00 H ATOM 252 N GLY D 32 -21.258 5.568 -16.775 1.00 27.57 N ATOM 253 CA GLY D 32 -22.665 5.875 -16.599 1.00 22.32 C ATOM 254 C GLY D 32 -22.956 7.261 -16.073 1.00 28.46 C ATOM 255 O GLY D 32 -24.100 7.536 -15.693 1.00 29.26 O ATOM 256 H GLY D 32 -20.855 5.572 -17.734 1.00 0.00 H ATOM 257 N ILE D 33 -21.965 8.146 -16.052 1.00 27.73 N ATOM 258 CA ILE D 33 -22.118 9.478 -15.475 1.00 28.20 C ATOM 259 C ILE D 33 -22.890 10.360 -16.450 1.00 33.42 C ATOM 260 O ILE D 33 -22.495 10.514 -17.610 1.00 30.49 O ATOM 261 CB ILE D 33 -20.747 10.083 -15.144 1.00 28.69 C ATOM 262 CG1 ILE D 33 -20.038 9.212 -14.100 1.00 32.46 C ATOM 263 CG2 ILE D 33 -20.894 11.520 -14.651 1.00 27.54 C ATOM 264 CD1 ILE D 33 -18.617 9.624 -13.801 1.00 31.43 C ATOM 265 H ILE D 33 -21.047 7.880 -16.462 1.00 0.00 H ATOM 266 N THR D 34 -23.995 10.944 -15.977 1.00 29.92 N ATOM 267 CA THR D 34 -24.775 11.896 -16.758 1.00 32.78 C ATOM 268 C THR D 34 -24.661 13.325 -16.248 1.00 32.24 C ATOM 269 O THR D 34 -25.186 14.238 -16.896 1.00 31.76 O ATOM 270 CB THR D 34 -26.263 11.503 -16.764 1.00 39.79 C ATOM 271 OG1 THR D 34 -26.797 11.626 -15.440 1.00 36.13 O ATOM 272 CG2 THR D 34 -26.451 10.073 -17.257 1.00 34.25 C ATOM 273 HG1 THR D 34 -27.754 11.373 -15.447 1.00 0.00 H ATOM 274 H THR D 34 -24.311 10.710 -15.014 1.00 0.00 H ATOM 275 N ASP D 35 -23.997 13.543 -15.115 1.00 28.72 N ATOM 276 CA ASP D 35 -23.949 14.862 -14.496 1.00 33.80 C ATOM 277 C ASP D 35 -23.179 15.830 -15.388 1.00 31.23 C ATOM 278 O ASP D 35 -22.010 15.595 -15.711 1.00 31.15 O ATOM 279 CB ASP D 35 -23.304 14.759 -13.116 1.00 30.16 C ATOM 280 CG ASP D 35 -23.540 15.989 -12.264 1.00 35.48 C ATOM 281 OD1 ASP D 35 -23.358 17.117 -12.769 1.00 34.95 O ATOM 282 OD2 ASP D 35 -23.908 15.822 -11.081 1.00 33.34 O ATOM 283 H ASP D 35 -23.499 12.752 -14.659 1.00 0.00 H ATOM 284 N LYS D 36 -23.836 16.928 -15.776 1.00 26.19 N ATOM 285 CA LYS D 36 -23.246 17.867 -16.725 1.00 29.38 C ATOM 286 C LYS D 36 -22.005 18.551 -16.173 1.00 33.37 C ATOM 287 O LYS D 36 -21.225 19.114 -16.949 1.00 28.82 O ATOM 288 CB LYS D 36 -24.279 18.924 -17.125 1.00 39.30 C ATOM 289 CG LYS D 36 -25.409 18.398 -17.998 1.00 35.21 C ATOM 290 CD LYS D 36 -24.933 18.108 -19.413 1.00 39.47 C ATOM 291 CE LYS D 36 -26.100 17.927 -20.375 1.00 36.02 C ATOM 292 NZ LYS D 36 -26.860 16.677 -20.120 1.00 36.88 N ATOM 293 HZ1 LYS D 36 -26.226 15.859 -20.228 1.00 0.00 H ATOM 294 HZ2 LYS D 36 -27.242 16.696 -19.153 1.00 0.00 H ATOM 295 HZ3 LYS D 36 -27.642 16.603 -20.802 1.00 0.00 H ATOM 296 H LYS D 36 -24.785 17.116 -15.395 1.00 0.00 H ATOM 297 N ARG D 37 -21.807 18.532 -14.854 1.00 26.97 N ATOM 298 CA ARG D 37 -20.592 19.101 -14.289 1.00 31.98 C ATOM 299 C ARG D 37 -19.364 18.266 -14.621 1.00 31.79 C ATOM 300 O ARG D 37 -18.239 18.756 -14.475 1.00 33.98 O ATOM 301 CB ARG D 37 -20.734 19.244 -12.774 1.00 35.17 C ATOM 302 CG ARG D 37 -21.748 20.297 -12.349 1.00 38.21 C ATOM 303 CD ARG D 37 -22.010 20.237 -10.857 1.00 29.21 C ATOM 304 NE ARG D 37 -22.760 19.041 -10.487 1.00 37.28 N ATOM 305 CZ ARG D 37 -22.941 18.625 -9.237 1.00 41.78 C ATOM 306 NH1 ARG D 37 -22.418 19.304 -8.225 1.00 48.55 N ATOM 307 NH2 ARG D 37 -23.641 17.525 -8.999 1.00 36.68 N ATOM 308 HE ARG D 37 -23.181 18.476 -11.252 1.00 0.00 H ATOM 309 HH12 ARG D 37 -22.562 18.975 -7.249 1.00 0.00 H ATOM 310 HH11 ARG D 37 -21.864 20.165 -8.408 1.00 0.00 H ATOM 311 HH22 ARG D 37 -23.782 17.200 -8.021 1.00 0.00 H ATOM 312 HH21 ARG D 37 -24.049 16.987 -9.790 1.00 0.00 H ATOM 313 H ARG D 37 -22.522 18.110 -14.228 1.00 0.00 H ATOM 314 N VAL D 38 -19.551 17.026 -15.064 1.00 23.21 N ATOM 315 CA VAL D 38 -18.455 16.154 -15.464 1.00 27.38 C ATOM 316 C VAL D 38 -18.286 16.257 -16.973 1.00 32.52 C ATOM 317 O VAL D 38 -19.263 16.148 -17.726 1.00 28.60 O ATOM 318 CB VAL D 38 -18.715 14.699 -15.035 1.00 23.08 C ATOM 319 CG1 VAL D 38 -17.556 13.802 -15.452 1.00 24.47 C ATOM 320 CG2 VAL D 38 -18.936 14.621 -13.533 1.00 25.49 C ATOM 321 H VAL D 38 -20.523 16.663 -15.128 1.00 0.00 H ATOM 322 N SER D 39 -17.052 16.478 -17.412 1.00 26.04 N ATOM 323 CA SER D 39 -16.755 16.550 -18.833 1.00 27.80 C ATOM 324 C SER D 39 -16.853 15.171 -19.473 1.00 26.72 C ATOM 325 O SER D 39 -16.573 14.146 -18.845 1.00 30.64 O ATOM 326 CB SER D 39 -15.355 17.127 -19.052 1.00 28.64 C ATOM 327 OG SER D 39 -14.996 17.118 -20.425 1.00 27.61 O ATOM 328 HG SER D 39 -15.644 17.664 -20.938 1.00 0.00 H ATOM 329 H SER D 39 -16.282 16.602 -16.724 1.00 0.00 H ATOM 330 N ARG D 40 -17.269 15.152 -20.741 1.00 27.39 N ATOM 331 CA ARG D 40 -17.197 13.927 -21.523 1.00 23.25 C ATOM 332 C ARG D 40 -15.755 13.514 -21.773 1.00 25.86 C ATOM 333 O ARG D 40 -15.491 12.333 -22.024 1.00 27.80 O ATOM 334 CB ARG D 40 -17.932 14.110 -22.852 1.00 28.79 C ATOM 335 CG ARG D 40 -19.427 14.344 -22.701 1.00 29.98 C ATOM 336 CD ARG D 40 -20.013 14.996 -23.940 1.00 24.30 C ATOM 337 NE ARG D 40 -19.678 16.416 -24.016 1.00 24.18 N ATOM 338 CZ ARG D 40 -20.085 17.232 -24.984 1.00 26.04 C ATOM 339 NH1 ARG D 40 -19.731 18.509 -24.964 1.00 32.32 N ATOM 340 NH2 ARG D 40 -20.846 16.776 -25.969 1.00 31.66 N ATOM 341 HE ARG D 40 -19.082 16.815 -23.263 1.00 0.00 H ATOM 342 HH12 ARG D 40 -20.048 19.149 -25.720 1.00 0.00 H ATOM 343 HH11 ARG D 40 -19.136 18.872 -24.192 1.00 0.00 H ATOM 344 HH22 ARG D 40 -21.161 17.419 -26.723 1.00 0.00 H ATOM 345 HH21 ARG D 40 -21.128 15.775 -25.988 1.00 0.00 H ATOM 346 H ARG D 40 -17.647 16.019 -21.173 1.00 0.00 H ATOM 347 N ARG D 41 -14.829 14.463 -21.710 1.00 21.95 N ATOM 348 CA ARG D 41 -13.393 14.212 -21.802 1.00 33.65 C ATOM 349 C ARG D 41 -12.747 14.758 -20.531 1.00 22.48 C ATOM 350 O ARG D 41 -12.036 15.765 -20.558 1.00 27.63 O ATOM 351 CB ARG D 41 -12.807 14.862 -23.066 1.00 31.83 C ATOM 352 CG ARG D 41 -13.432 14.356 -24.357 1.00 30.91 C ATOM 353 CD ARG D 41 -12.936 15.114 -25.582 1.00 36.26 C ATOM 354 NE ARG D 41 -11.495 14.956 -25.787 1.00 35.62 N ATOM 355 CZ ARG D 41 -10.593 15.933 -25.703 1.00 35.51 C ATOM 356 NH1 ARG D 41 -10.952 17.179 -25.425 1.00 28.96 N ATOM 357 NH2 ARG D 41 -9.313 15.660 -25.908 1.00 35.61 N ATOM 358 HE ARG D 41 -11.147 14.003 -26.017 1.00 0.00 H ATOM 359 HH12 ARG D 41 -10.231 17.926 -25.364 1.00 0.00 H ATOM 360 HH11 ARG D 41 -11.954 17.409 -25.268 1.00 0.00 H ATOM 361 HH22 ARG D 41 -8.603 16.417 -25.844 1.00 0.00 H ATOM 362 HH21 ARG D 41 -9.018 14.688 -26.133 1.00 0.00 H ATOM 363 H ARG D 41 -15.146 15.446 -21.588 1.00 0.00 H ATOM 364 N HIS D 42 -13.015 14.091 -19.408 1.00 21.25 N ATOM 365 CA HIS D 42 -12.618 14.584 -18.095 1.00 23.50 C ATOM 366 C HIS D 42 -11.203 14.162 -17.720 1.00 28.75 C ATOM 367 O HIS D 42 -10.436 14.974 -17.189 1.00 24.18 O ATOM 368 CB HIS D 42 -13.602 14.082 -17.035 1.00 22.13 C ATOM 369 CG HIS D 42 -13.659 14.935 -15.807 1.00 28.18 C ATOM 370 ND1 HIS D 42 -14.653 15.865 -15.591 1.00 29.56 N ATOM 371 CD2 HIS D 42 -12.847 14.997 -14.726 1.00 29.38 C ATOM 372 CE1 HIS D 42 -14.451 16.464 -14.432 1.00 29.19 C ATOM 373 NE2 HIS D 42 -13.359 15.957 -13.887 1.00 33.19 N ATOM 374 H HIS D 42 -13.525 13.187 -19.471 1.00 0.00 H ATOM 375 N ALA D 43 -10.841 12.909 -17.988 1.00 24.15 N ATOM 376 CA ALA D 43 -9.536 12.392 -17.602 1.00 28.01 C ATOM 377 C ALA D 43 -9.197 11.199 -18.480 1.00 24.26 C ATOM 378 O ALA D 43 -10.066 10.619 -19.135 1.00 27.20 O ATOM 379 CB ALA D 43 -9.507 11.993 -16.124 1.00 20.24 C ATOM 380 H ALA D 43 -11.507 12.284 -18.485 1.00 0.00 H ATOM 381 N ILE D 44 -7.915 10.843 -18.482 1.00 25.37 N ATOM 382 CA ILE D 44 -7.414 9.664 -19.178 1.00 23.92 C ATOM 383 C ILE D 44 -6.976 8.649 -18.132 1.00 25.22 C ATOM 384 O ILE D 44 -6.293 9.003 -17.165 1.00 27.29 O ATOM 385 CB ILE D 44 -6.247 10.015 -20.116 1.00 30.08 C ATOM 386 CG1 ILE D 44 -6.694 11.026 -21.175 1.00 35.40 C ATOM 387 CG2 ILE D 44 -5.699 8.753 -20.777 1.00 32.46 C ATOM 388 CD1 ILE D 44 -5.559 11.581 -22.013 1.00 41.73 C ATOM 389 H ILE D 44 -7.237 11.435 -17.961 1.00 0.00 H ATOM 390 N LEU D 45 -7.378 7.395 -18.320 1.00 23.07 N ATOM 391 CA LEU D 45 -6.852 6.269 -17.559 1.00 27.36 C ATOM 392 C LEU D 45 -5.991 5.427 -18.487 1.00 27.41 C ATOM 393 O LEU D 45 -6.394 5.145 -19.621 1.00 28.84 O ATOM 394 CB LEU D 45 -7.973 5.406 -16.973 1.00 29.15 C ATOM 395 CG LEU D 45 -8.901 6.022 -15.926 1.00 28.66 C ATOM 396 CD1 LEU D 45 -9.932 4.986 -15.489 1.00 24.78 C ATOM 397 CD2 LEU D 45 -8.121 6.543 -14.727 1.00 25.27 C ATOM 398 H LEU D 45 -8.101 7.210 -19.044 1.00 0.00 H ATOM 399 N GLU D 46 -4.811 5.033 -18.016 1.00 27.94 N ATOM 400 CA GLU D 46 -3.913 4.186 -18.792 1.00 27.29 C ATOM 401 C GLU D 46 -3.564 2.947 -17.985 1.00 24.11 C ATOM 402 O GLU D 46 -3.057 3.052 -16.863 1.00 26.52 O ATOM 403 CB GLU D 46 -2.636 4.925 -19.190 1.00 23.62 C ATOM 404 CG GLU D 46 -1.832 4.173 -20.243 1.00 31.53 C ATOM 405 CD GLU D 46 -0.350 4.468 -20.176 1.00 37.31 C ATOM 406 OE1 GLU D 46 0.233 4.345 -19.078 1.00 42.50 O ATOM 407 OE2 GLU D 46 0.230 4.822 -21.221 1.00 38.71 O ATOM 408 H GLU D 46 -4.520 5.338 -17.065 1.00 0.00 H ATOM 409 N VAL D 47 -3.829 1.782 -18.564 1.00 24.28 N ATOM 410 CA VAL D 47 -3.420 0.497 -18.010 1.00 28.22 C ATOM 411 C VAL D 47 -2.252 0.000 -18.849 1.00 26.96 C ATOM 412 O VAL D 47 -2.388 -0.192 -20.063 1.00 30.66 O ATOM 413 CB VAL D 47 -4.579 -0.511 -18.010 1.00 25.69 C ATOM 414 CG1 VAL D 47 -4.120 -1.867 -17.492 1.00 24.73 C ATOM 415 CG2 VAL D 47 -5.738 0.016 -17.176 1.00 27.43 C ATOM 416 H VAL D 47 -4.356 1.786 -19.460 1.00 0.00 H ATOM 417 N ALA D 48 -1.101 -0.193 -18.211 1.00 27.44 N ATOM 418 CA ALA D 48 0.094 -0.617 -18.925 1.00 29.22 C ATOM 419 C ALA D 48 1.094 -1.183 -17.928 1.00 31.55 C ATOM 420 O ALA D 48 1.291 -0.615 -16.851 1.00 25.90 O ATOM 421 CB ALA D 48 0.720 0.548 -19.701 1.00 35.39 C ATOM 422 H ALA D 48 -1.054 -0.038 -17.184 1.00 0.00 H ATOM 423 N GLY D 49 1.712 -2.302 -18.295 1.00 30.66 N ATOM 424 CA GLY D 49 2.774 -2.882 -17.484 1.00 29.95 C ATOM 425 C GLY D 49 2.379 -3.160 -16.051 1.00 30.05 C ATOM 426 O GLY D 49 3.193 -2.977 -15.138 1.00 25.24 O ATOM 427 H GLY D 49 1.431 -2.773 -19.179 1.00 0.00 H ATOM 428 N GLY D 50 1.141 -3.598 -15.830 1.00 25.94 N ATOM 429 CA GLY D 50 0.688 -3.910 -14.490 1.00 24.61 C ATOM 430 C GLY D 50 0.404 -2.711 -13.614 1.00 24.58 C ATOM 431 O GLY D 50 0.330 -2.857 -12.392 1.00 28.47 O ATOM 432 H GLY D 50 0.489 -3.718 -16.632 1.00 0.00 H ATOM 433 N GLN D 51 0.238 -1.526 -14.200 1.00 24.79 N ATOM 434 CA GLN D 51 -0.009 -0.311 -13.436 1.00 23.88 C ATOM 435 C GLN D 51 -1.153 0.478 -14.055 1.00 24.20 C ATOM 436 O GLN D 51 -1.496 0.311 -15.229 1.00 27.99 O ATOM 437 CB GLN D 51 1.237 0.578 -13.366 1.00 20.83 C ATOM 438 CG GLN D 51 2.367 -0.003 -12.540 1.00 27.16 C ATOM 439 CD GLN D 51 3.582 0.901 -12.503 1.00 26.16 C ATOM 440 OE1 GLN D 51 4.366 0.941 -13.449 1.00 26.97 O ATOM 441 NE2 GLN D 51 3.743 1.635 -11.406 1.00 26.61 N ATOM 442 HE22 GLN D 51 3.054 1.569 -10.630 1.00 0.00 H ATOM 443 HE21 GLN D 51 4.558 2.276 -11.324 1.00 0.00 H ATOM 444 H GLN D 51 0.286 -1.467 -15.237 1.00 0.00 H ATOM 445 N LEU D 52 -1.730 1.355 -13.239 1.00 17.70 N ATOM 446 CA LEU D 52 -2.793 2.257 -13.655 1.00 24.82 C ATOM 447 C LEU D 52 -2.409 3.670 -13.251 1.00 25.29 C ATOM 448 O LEU D 52 -2.017 3.903 -12.103 1.00 24.53 O ATOM 449 CB LEU D 52 -4.132 1.867 -13.015 1.00 21.58 C ATOM 450 CG LEU D 52 -5.318 2.819 -13.220 1.00 23.57 C ATOM 451 CD1 LEU D 52 -5.787 2.816 -14.666 1.00 19.10 C ATOM 452 CD2 LEU D 52 -6.458 2.451 -12.283 1.00 23.29 C ATOM 453 H LEU D 52 -1.405 1.398 -12.252 1.00 0.00 H ATOM 454 N ARG D 53 -2.514 4.608 -14.191 1.00 20.85 N ATOM 455 CA ARG D 53 -2.313 6.018 -13.899 1.00 23.22 C ATOM 456 C ARG D 53 -3.427 6.832 -14.538 1.00 26.65 C ATOM 457 O ARG D 53 -4.050 6.410 -15.517 1.00 22.67 O ATOM 458 CB ARG D 53 -0.939 6.525 -14.387 1.00 27.31 C ATOM 459 CG ARG D 53 -0.592 6.176 -15.826 1.00 24.41 C ATOM 460 CD ARG D 53 0.756 6.773 -16.223 1.00 29.38 C ATOM 461 NE ARG D 53 1.134 6.419 -17.589 1.00 26.34 N ATOM 462 CZ ARG D 53 2.130 6.981 -18.266 1.00 30.52 C ATOM 463 NH1 ARG D 53 2.865 7.938 -17.715 1.00 28.01 N ATOM 464 NH2 ARG D 53 2.391 6.586 -19.504 1.00 36.24 N ATOM 465 HE ARG D 53 0.585 5.675 -18.065 1.00 0.00 H ATOM 466 HH12 ARG D 53 3.642 8.372 -18.253 1.00 0.00 H ATOM 467 HH11 ARG D 53 2.664 8.255 -16.745 1.00 0.00 H ATOM 468 HH22 ARG D 53 3.170 7.024 -20.036 1.00 0.00 H ATOM 469 HH21 ARG D 53 1.817 5.838 -19.943 1.00 0.00 H ATOM 470 H ARG D 53 -2.747 4.323 -15.164 1.00 0.00 H ATOM 471 N ILE D 54 -3.682 8.002 -13.959 1.00 23.23 N ATOM 472 CA ILE D 54 -4.733 8.898 -14.418 1.00 25.85 C ATOM 473 C ILE D 54 -4.117 10.257 -14.713 1.00 24.47 C ATOM 474 O ILE D 54 -3.212 10.707 -14.003 1.00 28.04 O ATOM 475 CB ILE D 54 -5.866 9.026 -13.379 1.00 28.12 C ATOM 476 CG1 ILE D 54 -7.008 9.878 -13.938 1.00 31.46 C ATOM 477 CG2 ILE D 54 -5.343 9.628 -12.083 1.00 21.33 C ATOM 478 CD1 ILE D 54 -8.227 9.922 -13.043 1.00 24.24 C ATOM 479 H ILE D 54 -3.105 8.289 -13.143 1.00 0.00 H ATOM 480 N LYS D 55 -4.610 10.904 -15.767 1.00 28.08 N ATOM 481 CA LYS D 55 -4.230 12.273 -16.100 1.00 30.81 C ATOM 482 C LYS D 55 -5.504 13.090 -16.268 1.00 25.64 C ATOM 483 O LYS D 55 -6.319 12.781 -17.161 1.00 24.50 O ATOM 484 CB LYS D 55 -3.384 12.328 -17.373 1.00 29.27 C ATOM 485 CG LYS D 55 -3.013 13.749 -17.788 1.00 34.24 C ATOM 486 CD LYS D 55 -1.829 13.776 -18.748 1.00 40.01 C ATOM 487 CE LYS D 55 -2.232 13.368 -20.154 1.00 41.09 C ATOM 488 NZ LYS D 55 -1.056 13.316 -21.066 1.00 49.86 N ATOM 489 HZ1 LYS D 55 -0.611 14.255 -21.110 1.00 0.00 H ATOM 490 HZ2 LYS D 55 -0.370 12.623 -20.706 1.00 0.00 H ATOM 491 HZ3 LYS D 55 -1.369 13.034 -22.017 1.00 0.00 H ATOM 492 H LYS D 55 -5.294 10.414 -16.378 1.00 0.00 H ATOM 493 N PRO D 56 -5.736 14.116 -15.450 1.00 29.15 N ATOM 494 CA PRO D 56 -6.857 15.024 -15.723 1.00 30.53 C ATOM 495 C PRO D 56 -6.580 15.858 -16.966 1.00 31.37 C ATOM 496 O PRO D 56 -5.469 16.354 -17.163 1.00 31.14 O ATOM 497 CB PRO D 56 -6.931 15.899 -14.464 1.00 26.16 C ATOM 498 CG PRO D 56 -6.110 15.189 -13.427 1.00 28.88 C ATOM 499 CD PRO D 56 -5.064 14.437 -14.179 1.00 27.75 C ATOM 500 N ILE D 57 -7.602 16.014 -17.809 1.00 26.34 N ATOM 501 CA ILE D 57 -7.431 16.736 -19.067 1.00 31.55 C ATOM 502 C ILE D 57 -8.515 17.792 -19.236 1.00 43.06 C ATOM 503 O ILE D 57 -8.767 18.264 -20.350 1.00 44.22 O ATOM 504 CB ILE D 57 -7.425 15.771 -20.267 1.00 40.64 C ATOM 505 CG1 ILE D 57 -8.698 14.922 -20.284 1.00 35.33 C ATOM 506 CG2 ILE D 57 -6.189 14.881 -20.221 1.00 40.32 C ATOM 507 CD1 ILE D 57 -8.897 14.145 -21.565 1.00 31.04 C ATOM 508 H ILE D 57 -8.532 15.617 -17.567 1.00 0.00 H ATOM 509 N HIS D 58 -9.157 18.177 -18.137 1.00 37.57 N ATOM 510 CA HIS D 58 -10.205 19.185 -18.163 1.00 50.32 C ATOM 511 C HIS D 58 -9.941 20.204 -17.065 1.00 51.24 C ATOM 512 O HIS D 58 -9.196 19.947 -16.116 1.00 58.54 O ATOM 513 CB HIS D 58 -11.601 18.565 -17.980 1.00 39.64 C ATOM 514 CG HIS D 58 -12.721 19.448 -18.438 1.00 45.23 C ATOM 515 ND1 HIS D 58 -12.950 19.733 -19.768 1.00 51.73 N ATOM 516 CD2 HIS D 58 -13.678 20.109 -17.744 1.00 43.46 C ATOM 517 CE1 HIS D 58 -13.998 20.530 -19.872 1.00 42.00 C ATOM 518 NE2 HIS D 58 -14.457 20.775 -18.659 1.00 46.80 N ATOM 519 H HIS D 58 -8.901 17.742 -17.228 1.00 0.00 H ATOM 520 N THR D 59 -10.562 21.376 -17.207 1.00 54.67 N ATOM 521 CA THR D 59 -10.422 22.403 -16.182 1.00 54.57 C ATOM 522 C THR D 59 -11.147 21.999 -14.905 1.00 43.44 C ATOM 523 O THR D 59 -10.631 22.210 -13.802 1.00 52.36 O ATOM 524 CB THR D 59 -10.940 23.741 -16.701 1.00 56.24 C ATOM 525 OG1 THR D 59 -12.245 23.567 -17.266 1.00 56.69 O ATOM 526 CG2 THR D 59 -9.995 24.297 -17.755 1.00 60.79 C ATOM 527 HG1 THR D 59 -12.577 24.437 -17.601 1.00 0.00 H ATOM 528 H THR D 59 -11.146 21.557 -18.049 1.00 0.00 H ATOM 529 N ASN D 60 -12.336 21.417 -15.030 1.00 53.69 N ATOM 530 CA ASN D 60 -12.969 20.788 -13.880 1.00 43.07 C ATOM 531 C ASN D 60 -12.068 19.664 -13.382 1.00 43.65 C ATOM 532 O ASN D 60 -11.654 18.807 -14.179 1.00 39.30 O ATOM 533 CB ASN D 60 -14.353 20.250 -14.242 1.00 44.68 C ATOM 534 CG ASN D 60 -15.303 21.346 -14.680 1.00 49.42 C ATOM 535 OD1 ASN D 60 -14.904 22.500 -14.833 1.00 45.68 O ATOM 536 ND2 ASN D 60 -16.569 20.994 -14.877 1.00 46.92 N ATOM 537 HD22 ASN D 60 -16.862 20.006 -14.736 1.00 0.00 H ATOM 538 HD21 ASN D 60 -17.267 21.706 -15.172 1.00 0.00 H ATOM 539 H ASN D 60 -12.815 21.411 -15.953 1.00 0.00 H ATOM 540 N PRO D 61 -11.730 19.625 -12.098 1.00 42.70 N ATOM 541 CA PRO D 61 -10.611 18.799 -11.648 1.00 41.30 C ATOM 542 C PRO D 61 -11.011 17.357 -11.362 1.00 36.57 C ATOM 543 O PRO D 61 -12.187 16.990 -11.322 1.00 29.71 O ATOM 544 CB PRO D 61 -10.167 19.505 -10.367 1.00 46.81 C ATOM 545 CG PRO D 61 -11.442 20.030 -9.813 1.00 48.87 C ATOM 546 CD PRO D 61 -12.262 20.459 -11.002 1.00 46.03 C ATOM 547 N CYS D 62 -9.982 16.540 -11.169 1.00 36.21 N ATOM 548 CA CYS D 62 -10.090 15.210 -10.593 1.00 29.46 C ATOM 549 C CYS D 62 -9.488 15.236 -9.195 1.00 28.92 C ATOM 550 O CYS D 62 -8.780 16.172 -8.817 1.00 34.03 O ATOM 551 CB CYS D 62 -9.374 14.177 -11.469 1.00 27.71 C ATOM 552 SG CYS D 62 -9.916 14.169 -13.179 1.00 32.16 S ATOM 553 H CYS D 62 -9.037 16.874 -11.448 1.00 0.00 H ATOM 554 N PHE D 63 -9.770 14.191 -8.422 1.00 27.10 N ATOM 555 CA PHE D 63 -9.315 14.133 -7.042 1.00 31.42 C ATOM 556 C PHE D 63 -8.782 12.743 -6.736 1.00 32.23 C ATOM 557 O PHE D 63 -9.221 11.750 -7.320 1.00 26.54 O ATOM 558 CB PHE D 63 -10.443 14.514 -6.082 1.00 30.43 C ATOM 559 CG PHE D 63 -11.022 15.869 -6.358 1.00 34.96 C ATOM 560 CD1 PHE D 63 -12.024 16.030 -7.300 1.00 31.59 C ATOM 561 CD2 PHE D 63 -10.547 16.988 -5.693 1.00 40.50 C ATOM 562 CE1 PHE D 63 -12.552 17.280 -7.565 1.00 38.08 C ATOM 563 CE2 PHE D 63 -11.069 18.238 -5.953 1.00 39.30 C ATOM 564 CZ PHE D 63 -12.070 18.384 -6.892 1.00 39.55 C ATOM 565 H PHE D 63 -10.325 13.402 -8.811 1.00 0.00 H ATOM 566 N TYR D 64 -7.829 12.690 -5.806 1.00 31.56 N ATOM 567 CA TYR D 64 -7.079 11.480 -5.503 1.00 31.14 C ATOM 568 C TYR D 64 -7.008 11.272 -3.998 1.00 35.88 C ATOM 569 O TYR D 64 -6.733 12.210 -3.244 1.00 33.35 O ATOM 570 CB TYR D 64 -5.664 11.565 -6.086 1.00 37.23 C ATOM 571 CG TYR D 64 -4.731 10.469 -5.629 1.00 29.53 C ATOM 572 CD1 TYR D 64 -4.887 9.166 -6.079 1.00 35.40 C ATOM 573 CD2 TYR D 64 -3.683 10.741 -4.759 1.00 40.62 C ATOM 574 CE1 TYR D 64 -4.032 8.161 -5.669 1.00 34.94 C ATOM 575 CE2 TYR D 64 -2.821 9.744 -4.345 1.00 37.71 C ATOM 576 CZ TYR D 64 -3.000 8.456 -4.803 1.00 38.04 C ATOM 577 OH TYR D 64 -2.146 7.457 -4.394 1.00 40.26 O ATOM 578 HH TYR D 64 -2.415 6.602 -4.814 1.00 0.00 H ATOM 579 H TYR D 64 -7.611 13.555 -5.271 1.00 0.00 H ATOM 580 N GLN D 65 -7.248 10.035 -3.567 1.00 30.95 N ATOM 581 CA GLN D 65 -7.175 9.664 -2.156 1.00 36.47 C ATOM 582 C GLN D 65 -6.337 8.399 -2.033 1.00 39.26 C ATOM 583 O GLN D 65 -6.786 7.314 -2.417 1.00 30.47 O ATOM 584 CB GLN D 65 -8.571 9.453 -1.569 1.00 30.06 C ATOM 585 CG GLN D 65 -8.576 9.063 -0.100 1.00 42.32 C ATOM 586 CD GLN D 65 -9.978 8.889 0.450 1.00 43.71 C ATOM 587 OE1 GLN D 65 -10.938 9.457 -0.070 1.00 42.60 O ATOM 588 NE2 GLN D 65 -10.104 8.093 1.504 1.00 45.22 N ATOM 589 HE22 GLN D 65 -9.265 7.633 1.912 1.00 0.00 H ATOM 590 HE21 GLN D 65 -11.042 7.929 1.923 1.00 0.00 H ATOM 591 H GLN D 65 -7.497 9.304 -4.263 1.00 0.00 H ATOM 592 N SER D 66 -5.124 8.539 -1.505 1.00 39.49 N ATOM 593 CA SER D 66 -4.277 7.382 -1.264 1.00 41.33 C ATOM 594 C SER D 66 -4.958 6.428 -0.286 1.00 41.29 C ATOM 595 O SER D 66 -5.828 6.815 0.499 1.00 41.67 O ATOM 596 CB SER D 66 -2.918 7.818 -0.716 1.00 47.35 C ATOM 597 OG SER D 66 -1.970 6.767 -0.795 1.00 54.22 O ATOM 598 HG SER D 66 -1.857 6.496 -1.741 1.00 0.00 H ATOM 599 H SER D 66 -4.777 9.489 -1.261 1.00 0.00 H ATOM 600 N SER D 67 -4.546 5.160 -0.338 1.00 45.79 N ATOM 601 CA SER D 67 -5.162 4.148 0.515 1.00 46.12 C ATOM 602 C SER D 67 -4.898 4.411 1.993 1.00 44.84 C ATOM 603 O SER D 67 -5.702 4.011 2.843 1.00 53.64 O ATOM 604 CB SER D 67 -4.656 2.757 0.130 1.00 41.71 C ATOM 605 OG SER D 67 -3.243 2.695 0.186 1.00 50.30 O ATOM 606 HG SER D 67 -2.943 1.786 -0.067 1.00 0.00 H ATOM 607 H SER D 67 -3.782 4.891 -0.990 1.00 0.00 H ATOM 608 N GLU D 68 -3.789 5.075 2.324 1.00 47.66 N ATOM 609 CA GLU D 68 -3.460 5.327 3.723 1.00 58.06 C ATOM 610 C GLU D 68 -4.094 6.600 4.271 1.00 62.04 C ATOM 611 O GLU D 68 -4.239 6.724 5.493 1.00 63.22 O ATOM 612 CB GLU D 68 -1.935 5.393 3.915 1.00 62.14 C ATOM 613 CG GLU D 68 -1.247 6.682 3.447 1.00 64.21 C ATOM 614 CD GLU D 68 -0.629 6.576 2.065 1.00 75.00 C ATOM 615 OE1 GLU D 68 -0.575 5.461 1.508 1.00 78.79 O ATOM 616 OE2 GLU D 68 -0.186 7.620 1.535 1.00 74.57 O ATOM 617 H GLU D 68 -3.152 5.417 1.576 1.00 0.00 H ATOM 618 N LYS D 69 -4.471 7.541 3.407 1.00 61.95 N ATOM 619 CA LYS D 69 -5.054 8.803 3.836 1.00 57.12 C ATOM 620 C LYS D 69 -6.580 8.701 3.809 1.00 54.25 C ATOM 621 O LYS D 69 -7.152 7.635 3.562 1.00 50.08 O ATOM 622 CB LYS D 69 -4.540 9.943 2.958 1.00 56.64 C ATOM 623 CG LYS D 69 -3.042 10.177 3.064 1.00 57.95 C ATOM 624 CD LYS D 69 -2.590 11.298 2.148 1.00 65.12 C ATOM 625 CE LYS D 69 -1.075 11.406 2.115 1.00 72.17 C ATOM 626 NZ LYS D 69 -0.612 12.526 1.250 1.00 67.26 N ATOM 627 HZ1 LYS D 69 -0.948 12.373 0.278 1.00 0.00 H ATOM 628 HZ2 LYS D 69 -0.993 13.423 1.613 1.00 0.00 H ATOM 629 HZ3 LYS D 69 0.427 12.562 1.258 1.00 0.00 H ATOM 630 H LYS D 69 -4.344 7.367 2.389 1.00 0.00 H ATOM 631 N SER D 70 -7.260 9.822 4.065 1.00 56.35 N ATOM 632 CA SER D 70 -8.716 9.852 4.143 1.00 49.74 C ATOM 633 C SER D 70 -9.267 11.149 3.565 1.00 47.43 C ATOM 634 O SER D 70 -10.316 11.634 4.004 1.00 54.14 O ATOM 635 CB SER D 70 -9.193 9.682 5.588 1.00 54.29 C ATOM 636 OG SER D 70 -8.747 8.451 6.128 1.00 69.87 O ATOM 637 HG SER D 70 -9.068 8.366 7.061 1.00 0.00 H ATOM 638 H SER D 70 -6.732 10.705 4.214 1.00 0.00 H ATOM 639 N GLN D 71 -8.576 11.722 2.581 1.00 49.21 N ATOM 640 CA GLN D 71 -8.970 12.998 2.000 1.00 50.18 C ATOM 641 C GLN D 71 -8.802 12.947 0.490 1.00 45.83 C ATOM 642 O GLN D 71 -7.725 12.603 -0.007 1.00 42.08 O ATOM 643 CB GLN D 71 -8.137 14.148 2.588 1.00 45.17 C ATOM 644 CG GLN D 71 -8.320 15.497 1.889 1.00 43.41 C ATOM 645 CD GLN D 71 -7.347 16.549 2.388 1.00 56.81 C ATOM 646 OE1 GLN D 71 -6.171 16.263 2.623 1.00 54.44 O ATOM 647 NE2 GLN D 71 -7.832 17.775 2.553 1.00 48.83 N ATOM 648 HE22 GLN D 71 -8.831 17.972 2.342 1.00 0.00 H ATOM 649 HE21 GLN D 71 -7.212 18.538 2.893 1.00 0.00 H ATOM 650 H GLN D 71 -7.728 11.243 2.216 1.00 0.00 H ATOM 651 N LEU D 72 -9.862 13.301 -0.232 1.00 35.55 N ATOM 652 CA LEU D 72 -9.788 13.454 -1.681 1.00 39.01 C ATOM 653 C LEU D 72 -9.080 14.766 -1.991 1.00 40.90 C ATOM 654 O LEU D 72 -9.647 15.847 -1.797 1.00 44.21 O ATOM 655 CB LEU D 72 -11.183 13.420 -2.298 1.00 38.53 C ATOM 656 CG LEU D 72 -11.814 12.031 -2.426 1.00 36.57 C ATOM 657 CD1 LEU D 72 -13.316 12.138 -2.631 1.00 35.91 C ATOM 658 CD2 LEU D 72 -11.174 11.257 -3.574 1.00 34.21 C ATOM 659 H LEU D 72 -10.768 13.473 0.249 1.00 0.00 H ATOM 660 N LEU D 73 -7.825 14.674 -2.467 1.00 34.99 N ATOM 661 CA LEU D 73 -7.022 15.846 -2.781 1.00 33.57 C ATOM 662 C LEU D 73 -7.069 16.140 -4.275 1.00 34.74 C ATOM 663 O LEU D 73 -7.109 15.211 -5.087 1.00 38.76 O ATOM 664 CB LEU D 73 -5.569 15.635 -2.353 1.00 37.20 C ATOM 665 H LEU D 73 -7.414 13.730 -2.616 1.00 0.00 H ATOM 666 N PRO D 74 -7.059 17.408 -4.682 1.00 36.86 N ATOM 667 CA PRO D 74 -7.134 17.714 -6.114 1.00 41.11 C ATOM 668 C PRO D 74 -5.836 17.374 -6.828 1.00 44.18 C ATOM 669 O PRO D 74 -4.740 17.618 -6.318 1.00 33.70 O ATOM 670 CB PRO D 74 -7.412 19.222 -6.140 1.00 42.21 C ATOM 671 CG PRO D 74 -6.803 19.726 -4.882 1.00 44.56 C ATOM 672 CD PRO D 74 -6.980 18.629 -3.862 1.00 43.66 C ATOM 673 N LEU D 75 -5.973 16.805 -8.020 1.00 37.09 N ATOM 674 CA LEU D 75 -4.827 16.467 -8.848 1.00 34.45 C ATOM 675 C LEU D 75 -4.442 17.651 -9.726 1.00 41.85 C ATOM 676 O LEU D 75 -5.294 18.423 -10.175 1.00 36.18 O ATOM 677 CB LEU D 75 -5.132 15.248 -9.722 1.00 30.73 C ATOM 678 CG LEU D 75 -5.205 13.888 -9.022 1.00 31.03 C ATOM 679 CD1 LEU D 75 -5.656 12.818 -10.005 1.00 37.76 C ATOM 680 CD2 LEU D 75 -3.859 13.515 -8.415 1.00 37.03 C ATOM 681 H LEU D 75 -6.929 16.595 -8.372 1.00 0.00 H ATOM 682 N LYS D 76 -3.143 17.787 -9.969 1.00 31.07 N ATOM 683 CA LYS D 76 -2.670 18.859 -10.831 1.00 36.34 C ATOM 684 C LYS D 76 -3.091 18.582 -12.273 1.00 36.79 C ATOM 685 O LYS D 76 -3.129 17.423 -12.696 1.00 31.39 O ATOM 686 CB LYS D 76 -1.151 18.996 -10.741 1.00 39.31 C ATOM 687 CG LYS D 76 -0.695 20.227 -9.974 1.00 49.03 C ATOM 688 CD LYS D 76 0.822 20.332 -9.923 1.00 57.55 C ATOM 689 H LYS D 76 -2.463 17.126 -9.542 1.00 0.00 H ATOM 690 N PRO D 77 -3.432 19.614 -13.047 1.00 37.42 N ATOM 691 CA PRO D 77 -3.907 19.370 -14.416 1.00 38.20 C ATOM 692 C PRO D 77 -2.811 18.817 -15.315 1.00 34.28 C ATOM 693 O PRO D 77 -1.639 19.178 -15.193 1.00 34.87 O ATOM 694 CB PRO D 77 -4.365 20.758 -14.890 1.00 36.26 C ATOM 695 CG PRO D 77 -4.566 21.552 -13.648 1.00 43.77 C ATOM 696 CD PRO D 77 -3.560 21.035 -12.674 1.00 39.92 C ATOM 697 N ASN D 78 -3.211 17.928 -16.225 1.00 33.07 N ATOM 698 CA ASN D 78 -2.369 17.459 -17.326 1.00 38.55 C ATOM 699 C ASN D 78 -1.129 16.704 -16.854 1.00 33.32 C ATOM 700 O ASN D 78 -0.178 16.539 -17.625 1.00 38.91 O ATOM 701 CB ASN D 78 -1.949 18.628 -18.227 1.00 35.07 C ATOM 702 CG ASN D 78 -3.137 19.372 -18.807 1.00 47.13 C ATOM 703 OD1 ASN D 78 -3.264 20.586 -18.644 1.00 50.78 O ATOM 704 ND2 ASN D 78 -4.015 18.646 -19.488 1.00 37.01 N ATOM 705 HD22 ASN D 78 -3.868 17.623 -19.601 1.00 0.00 H ATOM 706 HD21 ASN D 78 -4.850 19.100 -19.909 1.00 0.00 H ATOM 707 H ASN D 78 -4.175 17.547 -16.148 1.00 0.00 H ATOM 708 N LEU D 79 -1.109 16.237 -15.607 1.00 34.32 N ATOM 709 CA LEU D 79 -0.009 15.434 -15.092 1.00 30.81 C ATOM 710 C LEU D 79 -0.509 14.046 -14.714 1.00 32.25 C ATOM 711 O LEU D 79 -1.637 13.882 -14.239 1.00 25.42 O ATOM 712 CB LEU D 79 0.644 16.090 -13.870 1.00 29.73 C ATOM 713 CG LEU D 79 1.327 17.445 -14.075 1.00 31.64 C ATOM 714 CD1 LEU D 79 2.004 17.875 -12.785 1.00 34.44 C ATOM 715 CD2 LEU D 79 2.330 17.397 -15.218 1.00 33.17 C ATOM 716 H LEU D 79 -1.908 16.454 -14.978 1.00 0.00 H ATOM 717 N TRP D 80 0.347 13.047 -14.926 1.00 26.49 N ATOM 718 CA TRP D 80 0.014 11.672 -14.583 1.00 30.63 C ATOM 719 C TRP D 80 0.159 11.434 -13.085 1.00 31.46 C ATOM 720 O TRP D 80 1.066 11.967 -12.439 1.00 28.95 O ATOM 721 CB TRP D 80 0.916 10.691 -15.334 1.00 21.51 C ATOM 722 CG TRP D 80 0.668 10.587 -16.808 1.00 23.74 C ATOM 723 CD1 TRP D 80 1.463 11.069 -17.809 1.00 26.03 C ATOM 724 CD2 TRP D 80 -0.440 9.944 -17.452 1.00 22.85 C ATOM 725 NE1 TRP D 80 0.919 10.768 -19.033 1.00 22.82 N ATOM 726 CE2 TRP D 80 -0.251 10.080 -18.842 1.00 28.43 C ATOM 727 CE3 TRP D 80 -1.575 9.270 -16.988 1.00 23.65 C ATOM 728 CZ2 TRP D 80 -1.153 9.567 -19.772 1.00 30.15 C ATOM 729 CZ3 TRP D 80 -2.469 8.763 -17.913 1.00 28.46 C ATOM 730 CH2 TRP D 80 -2.252 8.913 -19.289 1.00 28.67 C ATOM 731 HE1 TRP D 80 1.328 11.021 -19.955 1.00 0.00 H ATOM 732 H TRP D 80 1.275 13.255 -15.347 1.00 0.00 H ATOM 733 N CYS D 81 -0.737 10.612 -12.541 1.00 30.66 N ATOM 734 CA CYS D 81 -0.668 10.163 -11.157 1.00 30.11 C ATOM 735 C CYS D 81 -1.005 8.679 -11.122 1.00 29.54 C ATOM 736 O CYS D 81 -2.031 8.265 -11.668 1.00 23.84 O ATOM 737 CB CYS D 81 -1.635 10.961 -10.272 1.00 31.41 C ATOM 738 SG CYS D 81 -1.775 10.380 -8.562 1.00 35.75 S ATOM 739 H CYS D 81 -1.523 10.275 -13.133 1.00 0.00 H ATOM 740 N TYR D 82 -0.141 7.881 -10.501 1.00 24.70 N ATOM 741 CA TYR D 82 -0.374 6.446 -10.428 1.00 28.51 C ATOM 742 C TYR D 82 -1.408 6.131 -9.358 1.00 31.41 C ATOM 743 O TYR D 82 -1.436 6.753 -8.292 1.00 31.38 O ATOM 744 CB TYR D 82 0.926 5.693 -10.142 1.00 28.51 C ATOM 745 CG TYR D 82 1.717 5.404 -11.392 1.00 24.82 C ATOM 746 CD1 TYR D 82 1.279 4.455 -12.305 1.00 28.12 C ATOM 747 CD2 TYR D 82 2.891 6.085 -11.669 1.00 25.36 C ATOM 748 CE1 TYR D 82 1.990 4.191 -13.457 1.00 26.35 C ATOM 749 CE2 TYR D 82 3.611 5.826 -12.818 1.00 30.91 C ATOM 750 CZ TYR D 82 3.156 4.879 -13.709 1.00 27.14 C ATOM 751 OH TYR D 82 3.869 4.621 -14.856 1.00 26.44 O ATOM 752 HH TYR D 82 3.406 3.920 -15.380 1.00 0.00 H ATOM 753 H TYR D 82 0.710 8.287 -10.063 1.00 0.00 H ATOM 754 N LEU D 83 -2.268 5.165 -9.659 1.00 23.48 N ATOM 755 CA LEU D 83 -3.331 4.738 -8.758 1.00 24.62 C ATOM 756 C LEU D 83 -3.041 3.301 -8.343 1.00 29.16 C ATOM 757 O LEU D 83 -3.107 2.385 -9.170 1.00 27.75 O ATOM 758 CB LEU D 83 -4.695 4.859 -9.434 1.00 26.96 C ATOM 759 CG LEU D 83 -5.060 6.249 -9.960 1.00 32.32 C ATOM 760 CD1 LEU D 83 -6.358 6.200 -10.754 1.00 28.67 C ATOM 761 CD2 LEU D 83 -5.173 7.239 -8.810 1.00 33.19 C ATOM 762 H LEU D 83 -2.179 4.691 -10.580 1.00 0.00 H ATOM 763 N ASN D 84 -2.710 3.109 -7.077 1.00 26.97 N ATOM 764 CA ASN D 84 -2.425 1.780 -6.565 1.00 32.88 C ATOM 765 C ASN D 84 -3.711 1.088 -6.143 1.00 27.35 C ATOM 766 O ASN D 84 -4.713 1.744 -5.846 1.00 25.77 O ATOM 767 CB ASN D 84 -1.473 1.869 -5.376 1.00 35.92 C ATOM 768 CG ASN D 84 -0.143 2.484 -5.744 1.00 39.72 C ATOM 769 OD1 ASN D 84 0.625 1.910 -6.516 1.00 35.16 O ATOM 770 ND2 ASN D 84 0.141 3.659 -5.191 1.00 43.97 N ATOM 771 HD22 ASN D 84 -0.539 4.107 -4.544 1.00 0.00 H ATOM 772 HD21 ASN D 84 1.043 4.130 -5.405 1.00 0.00 H ATOM 773 H ASN D 84 -2.653 3.926 -6.436 1.00 0.00 H ATOM 774 N PRO D 85 -3.722 -0.243 -6.114 1.00 30.48 N ATOM 775 CA PRO D 85 -4.891 -0.950 -5.583 1.00 28.68 C ATOM 776 C PRO D 85 -5.224 -0.465 -4.180 1.00 32.80 C ATOM 777 O PRO D 85 -4.359 -0.393 -3.305 1.00 30.18 O ATOM 778 CB PRO D 85 -4.451 -2.418 -5.596 1.00 26.12 C ATOM 779 CG PRO D 85 -3.425 -2.486 -6.673 1.00 34.12 C ATOM 780 CD PRO D 85 -2.696 -1.175 -6.614 1.00 28.45 C ATOM 781 N GLY D 86 -6.491 -0.115 -3.972 1.00 29.86 N ATOM 782 CA GLY D 86 -6.946 0.455 -2.725 1.00 35.88 C ATOM 783 C GLY D 86 -7.081 1.964 -2.742 1.00 33.89 C ATOM 784 O GLY D 86 -7.846 2.513 -1.939 1.00 31.87 O ATOM 785 H GLY D 86 -7.181 -0.257 -4.737 1.00 0.00 H ATOM 786 N ASP D 87 -6.356 2.647 -3.626 1.00 28.27 N ATOM 787 CA ASP D 87 -6.523 4.082 -3.785 1.00 27.51 C ATOM 788 C ASP D 87 -7.897 4.392 -4.370 1.00 28.94 C ATOM 789 O ASP D 87 -8.584 3.523 -4.914 1.00 30.83 O ATOM 790 CB ASP D 87 -5.444 4.664 -4.700 1.00 29.85 C ATOM 791 CG ASP D 87 -4.051 4.586 -4.102 1.00 37.60 C ATOM 792 OD1 ASP D 87 -3.924 4.298 -2.893 1.00 41.54 O ATOM 793 OD2 ASP D 87 -3.080 4.828 -4.848 1.00 34.87 O ATOM 794 H ASP D 87 -5.659 2.145 -4.212 1.00 0.00 H ATOM 795 N SER D 88 -8.290 5.658 -4.261 1.00 25.31 N ATOM 796 CA SER D 88 -9.535 6.139 -4.838 1.00 33.36 C ATOM 797 C SER D 88 -9.270 7.406 -5.637 1.00 29.30 C ATOM 798 O SER D 88 -8.320 8.145 -5.367 1.00 26.56 O ATOM 799 CB SER D 88 -10.592 6.426 -3.758 1.00 29.34 C ATOM 800 OG SER D 88 -11.011 5.232 -3.120 1.00 38.56 O ATOM 801 HG SER D 88 -10.232 4.797 -2.692 1.00 0.00 H ATOM 802 H SER D 88 -7.685 6.328 -3.744 1.00 0.00 H ATOM 803 N PHE D 89 -10.113 7.633 -6.642 1.00 28.02 N ATOM 804 CA PHE D 89 -10.157 8.904 -7.347 1.00 24.73 C ATOM 805 C PHE D 89 -11.616 9.268 -7.569 1.00 26.85 C ATOM 806 O PHE D 89 -12.504 8.416 -7.494 1.00 25.92 O ATOM 807 CB PHE D 89 -9.406 8.854 -8.686 1.00 19.83 C ATOM 808 CG PHE D 89 -10.145 8.121 -9.774 1.00 22.47 C ATOM 809 CD1 PHE D 89 -9.997 6.754 -9.932 1.00 24.65 C ATOM 810 CD2 PHE D 89 -10.984 8.804 -10.641 1.00 29.41 C ATOM 811 CE1 PHE D 89 -10.674 6.080 -10.933 1.00 24.98 C ATOM 812 CE2 PHE D 89 -11.666 8.134 -11.641 1.00 26.80 C ATOM 813 CZ PHE D 89 -11.511 6.772 -11.787 1.00 24.75 C ATOM 814 H PHE D 89 -10.763 6.875 -6.933 1.00 0.00 H ATOM 815 N SER D 90 -11.859 10.549 -7.835 1.00 26.65 N ATOM 816 CA SER D 90 -13.211 11.034 -8.055 1.00 28.90 C ATOM 817 C SER D 90 -13.198 12.098 -9.140 1.00 29.85 C ATOM 818 O SER D 90 -12.186 12.767 -9.367 1.00 26.83 O ATOM 819 CB SER D 90 -13.825 11.605 -6.769 1.00 28.54 C ATOM 820 OG SER D 90 -13.272 12.869 -6.446 1.00 29.65 O ATOM 821 HG SER D 90 -13.447 13.503 -7.186 1.00 0.00 H ATOM 822 H SER D 90 -11.064 11.218 -7.887 1.00 0.00 H ATOM 823 N LEU D 91 -14.338 12.244 -9.811 1.00 28.48 N ATOM 824 CA LEU D 91 -14.503 13.260 -10.837 1.00 28.78 C ATOM 825 C LEU D 91 -15.255 14.486 -10.330 1.00 33.70 C ATOM 826 O LEU D 91 -15.294 15.503 -11.030 1.00 32.47 O ATOM 827 CB LEU D 91 -15.218 12.657 -12.052 1.00 25.31 C ATOM 828 CG LEU D 91 -14.536 11.400 -12.612 1.00 33.90 C ATOM 829 CD1 LEU D 91 -15.270 10.891 -13.837 1.00 23.20 C ATOM 830 CD2 LEU D 91 -13.069 11.657 -12.947 1.00 25.00 C ATOM 831 H LEU D 91 -15.135 11.612 -9.595 1.00 0.00 H ATOM 832 N LEU D 92 -15.850 14.404 -9.139 1.00 32.62 N ATOM 833 CA LEU D 92 -16.320 15.559 -8.387 1.00 39.16 C ATOM 834 C LEU D 92 -15.795 15.439 -6.960 1.00 34.88 C ATOM 835 O LEU D 92 -15.375 14.364 -6.528 1.00 31.59 O ATOM 836 CB LEU D 92 -17.855 15.657 -8.392 1.00 35.67 C ATOM 837 CG LEU D 92 -18.523 15.887 -9.753 1.00 35.84 C ATOM 838 CD1 LEU D 92 -20.040 15.815 -9.632 1.00 33.02 C ATOM 839 CD2 LEU D 92 -18.103 17.227 -10.343 1.00 34.59 C ATOM 840 H LEU D 92 -15.986 13.460 -8.723 1.00 0.00 H ATOM 841 N VAL D 93 -15.862 16.572 -6.252 1.00 38.52 N ATOM 842 CA VAL D 93 -15.278 16.650 -4.913 1.00 43.47 C ATOM 843 C VAL D 93 -15.935 15.645 -3.967 1.00 36.64 C ATOM 844 O VAL D 93 -15.263 15.081 -3.106 1.00 39.49 O ATOM 845 CB VAL D 93 -15.342 18.110 -4.387 1.00 44.90 C ATOM 846 CG1 VAL D 93 -16.720 18.525 -4.100 1.00 38.05 C ATOM 847 CG2 VAL D 93 -14.570 18.265 -3.123 1.00 44.64 C ATOM 848 H VAL D 93 -16.334 17.405 -6.657 1.00 0.00 H ATOM 849 N ASP D 94 -17.230 15.327 -4.171 1.00 32.99 N ATOM 850 CA ASP D 94 -18.016 14.529 -3.238 1.00 37.06 C ATOM 851 C ASP D 94 -18.902 13.515 -3.954 1.00 36.25 C ATOM 852 O ASP D 94 -19.885 13.041 -3.375 1.00 39.34 O ATOM 853 CB ASP D 94 -18.870 15.447 -2.358 1.00 44.23 C ATOM 854 CG ASP D 94 -19.485 14.721 -1.182 1.00 49.86 C ATOM 855 OD1 ASP D 94 -18.749 13.994 -0.483 1.00 53.40 O ATOM 856 OD2 ASP D 94 -20.706 14.873 -0.962 1.00 50.46 O ATOM 857 H ASP D 94 -17.691 15.669 -5.038 1.00 0.00 H ATOM 858 N LYS D 95 -18.575 13.164 -5.194 1.00 32.09 N ATOM 859 CA LYS D 95 -19.437 12.288 -5.973 1.00 33.64 C ATOM 860 C LYS D 95 -18.620 11.650 -7.084 1.00 28.01 C ATOM 861 O LYS D 95 -17.570 12.161 -7.484 1.00 30.47 O ATOM 862 CB LYS D 95 -20.631 13.057 -6.550 1.00 29.04 C ATOM 863 CG LYS D 95 -21.734 12.178 -7.106 1.00 40.25 C ATOM 864 CD LYS D 95 -22.937 13.008 -7.526 1.00 38.42 C ATOM 865 CE LYS D 95 -24.123 12.126 -7.868 1.00 40.84 C ATOM 866 H LYS D 95 -17.692 13.520 -5.612 1.00 0.00 H ATOM 867 N TYR D 96 -19.125 10.524 -7.579 1.00 26.55 N ATOM 868 CA TYR D 96 -18.460 9.747 -8.619 1.00 29.83 C ATOM 869 C TYR D 96 -17.038 9.396 -8.188 1.00 30.63 C ATOM 870 O TYR D 96 -16.044 9.742 -8.830 1.00 27.87 O ATOM 871 CB TYR D 96 -18.490 10.499 -9.950 1.00 31.01 C ATOM 872 CG TYR D 96 -19.903 10.826 -10.378 1.00 30.58 C ATOM 873 CD1 TYR D 96 -20.819 9.813 -10.633 1.00 36.60 C ATOM 874 CD2 TYR D 96 -20.329 12.140 -10.506 1.00 30.80 C ATOM 875 CE1 TYR D 96 -22.115 10.097 -11.014 1.00 29.80 C ATOM 876 CE2 TYR D 96 -21.628 12.435 -10.888 1.00 34.76 C ATOM 877 CZ TYR D 96 -22.514 11.410 -11.140 1.00 37.85 C ATOM 878 OH TYR D 96 -23.806 11.698 -11.520 1.00 44.08 O ATOM 879 HH TYR D 96 -24.304 10.854 -11.660 1.00 0.00 H ATOM 880 H TYR D 96 -20.035 10.182 -7.208 1.00 0.00 H ATOM 881 N ILE D 97 -16.975 8.691 -7.064 1.00 25.49 N ATOM 882 CA ILE D 97 -15.734 8.233 -6.459 1.00 25.30 C ATOM 883 C ILE D 97 -15.566 6.757 -6.791 1.00 27.19 C ATOM 884 O ILE D 97 -16.541 5.994 -6.784 1.00 26.85 O ATOM 885 CB ILE D 97 -15.758 8.469 -4.936 1.00 28.60 C ATOM 886 CG1 ILE D 97 -16.086 9.935 -4.625 1.00 27.36 C ATOM 887 CG2 ILE D 97 -14.429 8.089 -4.316 1.00 32.18 C ATOM 888 CD1 ILE D 97 -16.581 10.173 -3.221 1.00 32.44 C ATOM 889 H ILE D 97 -17.868 8.452 -6.587 1.00 0.00 H ATOM 890 N PHE D 98 -14.333 6.352 -7.091 1.00 24.42 N ATOM 891 CA PHE D 98 -14.051 4.995 -7.541 1.00 23.44 C ATOM 892 C PHE D 98 -12.805 4.470 -6.845 1.00 27.56 C ATOM 893 O PHE D 98 -11.780 5.155 -6.809 1.00 27.35 O ATOM 894 CB PHE D 98 -13.850 4.949 -9.061 1.00 24.48 C ATOM 895 CG PHE D 98 -15.065 5.345 -9.843 1.00 25.86 C ATOM 896 CD1 PHE D 98 -15.304 6.673 -10.153 1.00 29.20 C ATOM 897 CD2 PHE D 98 -15.970 4.388 -10.270 1.00 24.70 C ATOM 898 CE1 PHE D 98 -16.425 7.039 -10.872 1.00 27.64 C ATOM 899 CE2 PHE D 98 -17.090 4.748 -10.989 1.00 25.54 C ATOM 900 CZ PHE D 98 -17.318 6.075 -11.291 1.00 28.04 C ATOM 901 H PHE D 98 -13.546 7.026 -7.001 1.00 0.00 H ATOM 902 N ARG D 99 -12.893 3.255 -6.308 1.00 31.35 N ATOM 903 CA ARG D 99 -11.754 2.590 -5.691 1.00 33.79 C ATOM 904 C ARG D 99 -11.118 1.629 -6.688 1.00 27.72 C ATOM 905 O ARG D 99 -11.815 0.976 -7.472 1.00 27.80 O ATOM 906 CB ARG D 99 -12.174 1.835 -4.426 1.00 30.42 C ATOM 907 CG ARG D 99 -10.997 1.339 -3.592 1.00 34.26 C ATOM 908 CD ARG D 99 -11.423 0.852 -2.211 1.00 33.71 C ATOM 909 NE ARG D 99 -12.162 -0.410 -2.264 1.00 41.43 N ATOM 910 CZ ARG D 99 -13.490 -0.522 -2.252 1.00 42.15 C ATOM 911 NH1 ARG D 99 -14.265 0.552 -2.186 1.00 39.45 N ATOM 912 NH2 ARG D 99 -14.049 -1.721 -2.305 1.00 40.26 N ATOM 913 HE ARG D 99 -11.607 -1.288 -2.315 1.00 0.00 H ATOM 914 HH12 ARG D 99 -15.300 0.447 -2.178 1.00 0.00 H ATOM 915 HH11 ARG D 99 -13.838 1.499 -2.143 1.00 0.00 H ATOM 916 HH22 ARG D 99 -15.085 -1.813 -2.296 1.00 0.00 H ATOM 917 HH21 ARG D 99 -13.452 -2.571 -2.356 1.00 0.00 H ATOM 918 H ARG D 99 -13.809 2.763 -6.330 1.00 0.00 H ATOM 919 N ILE D 100 -9.792 1.548 -6.652 1.00 22.81 N ATOM 920 CA ILE D 100 -9.027 0.736 -7.590 1.00 28.12 C ATOM 921 C ILE D 100 -8.890 -0.675 -7.035 1.00 29.29 C ATOM 922 O ILE D 100 -8.504 -0.863 -5.875 1.00 29.65 O ATOM 923 CB ILE D 100 -7.644 1.356 -7.850 1.00 29.44 C ATOM 924 CG1 ILE D 100 -7.784 2.805 -8.326 1.00 28.38 C ATOM 925 CG2 ILE D 100 -6.866 0.524 -8.865 1.00 26.92 C ATOM 926 CD1 ILE D 100 -8.647 2.979 -9.553 1.00 31.80 C ATOM 927 H ILE D 100 -9.279 2.086 -5.925 1.00 0.00 H ATOM 928 N LEU D 101 -9.190 -1.667 -7.870 1.00 26.72 N ATOM 929 CA LEU D 101 -9.049 -3.074 -7.522 1.00 29.41 C ATOM 930 C LEU D 101 -8.155 -3.762 -8.545 1.00 29.87 C ATOM 931 O LEU D 101 -8.225 -3.466 -9.741 1.00 27.81 O ATOM 932 CB LEU D 101 -10.412 -3.775 -7.475 1.00 33.15 C ATOM 933 CG LEU D 101 -11.518 -3.116 -6.647 1.00 37.30 C ATOM 934 CD1 LEU D 101 -12.790 -3.947 -6.729 1.00 31.16 C ATOM 935 CD2 LEU D 101 -11.091 -2.935 -5.201 1.00 34.35 C ATOM 936 H LEU D 101 -9.543 -1.425 -8.818 1.00 0.00 H ATOM 937 N SER D 102 -7.319 -4.682 -8.073 1.00 27.61 N ATOM 938 CA SER D 102 -6.409 -5.423 -8.934 1.00 31.69 C ATOM 939 C SER D 102 -7.016 -6.764 -9.328 1.00 36.68 C ATOM 940 O SER D 102 -7.730 -7.397 -8.547 1.00 32.95 O ATOM 941 CB SER D 102 -5.062 -5.653 -8.240 1.00 36.54 C ATOM 942 OG SER D 102 -5.221 -6.388 -7.038 1.00 41.73 O ATOM 943 HG SER D 102 -5.625 -7.268 -7.242 1.00 0.00 H ATOM 944 H SER D 102 -7.315 -4.879 -7.052 1.00 0.00 H ATOM 945 N ILE D 103 -6.723 -7.186 -10.556 1.00 36.81 N ATOM 946 CA ILE D 103 -7.083 -8.517 -11.045 1.00 43.93 C ATOM 947 C ILE D 103 -5.800 -9.306 -11.278 1.00 46.16 C ATOM 948 O ILE D 103 -4.814 -8.737 -11.767 1.00 40.66 O ATOM 949 CB ILE D 103 -7.886 -8.462 -12.353 1.00 47.81 C ATOM 950 CG1 ILE D 103 -9.034 -7.457 -12.285 1.00 42.79 C ATOM 951 CG2 ILE D 103 -8.428 -9.850 -12.687 1.00 54.47 C ATOM 952 CD1 ILE D 103 -9.465 -6.997 -13.663 1.00 49.48 C ATOM 953 H ILE D 103 -6.216 -6.541 -11.196 1.00 0.00 H ATOM 954 N PRO D 104 -5.761 -10.610 -10.963 1.00 55.73 N ATOM 955 CA PRO D 104 -4.631 -11.434 -11.403 1.00 53.05 C ATOM 956 C PRO D 104 -4.429 -11.396 -12.916 1.00 51.73 C ATOM 957 CB PRO D 104 -5.026 -12.836 -10.942 1.00 60.71 C ATOM 958 CG PRO D 104 -5.870 -12.601 -9.742 1.00 56.86 C ATOM 959 CD PRO D 104 -6.637 -11.337 -10.026 1.00 51.87 C TER 960 PRO D 104 HETATM 961 O HOH 1 -0.313 6.560 -22.796 1.00 40.26 O HETATM 962 O HOH 2 -2.815 -8.520 -10.440 1.00 48.08 O HETATM 963 O HOH 3 -25.313 18.647 -12.546 1.00 36.61 O HETATM 964 O HOH 4 -7.692 1.868 -20.030 1.00 29.81 O HETATM 965 O HOH 5 -9.452 4.750 -1.165 1.00 39.37 O HETATM 966 O HOH 6 -20.569 1.022 -12.062 1.00 41.89 O HETATM 967 O HOH 7 -13.315 -4.194 -2.298 1.00 40.19 O HETATM 968 O HOH 8 -28.968 10.842 -14.247 1.00 40.86 O HETATM 969 O HOH 9 -14.573 18.042 -11.249 1.00 40.13 O HETATM 970 O HOH 10 -13.540 -1.140 -20.443 1.00 51.52 O HETATM 971 O HOH 11 -2.277 14.877 -11.895 1.00 34.52 O HETATM 972 O HOH 12 -11.718 18.115 -21.728 1.00 36.37 O HETATM 973 O HOH 13 3.885 0.094 -15.919 1.00 30.86 O HETATM 974 O HOH 14 -21.790 16.591 0.765 1.00 39.61 O HETATM 975 O HOH 15 -10.044 17.007 -15.503 1.00 43.87 O HETATM 976 O HOH 16 -1.179 4.936 -2.573 1.00 43.88 O HETATM 977 O HOH 17 -24.979 10.019 -13.236 1.00 32.88 O HETATM 978 O HOH 18 -4.292 3.078 -25.681 1.00 48.05 O HETATM 979 O HOH 19 -17.317 9.798 0.425 1.00 48.18 O HETATM 980 O HOH 20 -13.917 5.830 -23.248 1.00 43.77 O HETATM 981 O HOH 21 -7.625 19.326 -14.029 1.00 35.06 O HETATM 982 O HOH 22 -16.417 10.105 -20.841 1.00 36.37 O HETATM 983 O HOH 23 0.507 7.758 -6.704 1.00 38.39 O HETATM 984 O HOH 24 -0.855 -4.005 -17.613 1.00 37.51 O HETATM 985 O HOH 25 2.801 2.795 -16.550 1.00 31.12 O HETATM 986 O HOH 26 -1.116 1.015 -10.439 1.00 24.63 O HETATM 987 O HOH 27 -19.050 10.382 -23.599 1.00 34.03 O HETATM 988 O HOH 28 -7.175 -4.009 -16.588 1.00 35.56 O HETATM 989 O HOH 29 2.636 3.583 -21.677 1.00 38.84 O HETATM 990 O HOH 30 -13.039 10.707 1.204 1.00 39.12 O HETATM 991 O HOH 31 -1.178 -1.066 -22.395 1.00 42.79 O HETATM 992 O HOH 32 -10.396 -5.123 -16.210 1.00 43.25 O HETATM 993 O HOH 33 -7.393 -2.038 -25.495 1.00 53.52 O HETATM 994 O HOH 34 -7.535 17.660 -11.871 1.00 30.88 O HETATM 995 O HOH 35 -12.337 13.736 0.981 1.00 40.36 O HETATM 996 O HOH 36 -14.934 14.540 -0.388 1.00 46.31 O HETATM 997 O HOH 37 -13.774 4.450 -1.875 1.00 42.94 O HETATM 998 O HOH 38 -0.146 21.374 -14.250 1.00 40.72 O HETATM 999 O HOH 39 -20.053 3.730 -12.356 1.00 29.18 O HETATM 1000 O HOH 40 -0.115 2.939 -16.658 1.00 31.27 O HETATM 1001 O HOH 41 1.232 -3.573 -20.772 1.00 38.34 O HETATM 1002 O HOH 42 -17.450 7.141 -18.662 1.00 38.36 O HETATM 1003 O HOH 43 -6.538 20.890 -9.480 1.00 44.36 O HETATM 1004 O HOH 44 -11.433 0.631 -20.587 1.00 38.59 O HETATM 1005 O HOH 45 -8.094 2.446 2.854 1.00 52.45 O HETATM 1006 O HOH 46 -21.014 14.040 -26.780 1.00 31.12 O HETATM 1007 O HOH 47 -21.442 8.967 -6.917 1.00 46.43 O HETATM 1008 O HOH 48 -23.594 2.148 -20.079 1.00 37.16 O HETATM 1009 O HOH 49 -6.603 8.969 -24.838 1.00 46.51 O HETATM 1010 O HOH 50 -16.024 7.398 -20.969 1.00 31.26 O HETATM 1011 O HOH 51 -17.860 6.281 -21.785 1.00 32.48 O HETATM 1012 O HOH 52 -5.304 -9.152 -7.893 1.00 47.82 O HETATM 1013 O HOH 53 -19.613 -4.537 -6.943 1.00 44.72 O HETATM 1014 O HOH 54 -10.422 1.880 -24.058 1.00 42.01 O HETATM 1015 O HOH 55 -19.802 -5.899 -10.314 1.00 36.60 O HETATM 1016 O HOH 56 -3.423 -5.828 -4.769 1.00 39.14 O HETATM 1017 O HOH 57 -11.087 6.137 -24.908 1.00 36.50 O HETATM 1018 O HOH 58 4.232 9.515 -19.818 1.00 39.68 O HETATM 1019 O HOH 59 -8.544 0.886 0.454 1.00 47.09 O HETATM 1020 O HOH 60 -2.997 19.914 -7.072 1.00 50.30 O HETATM 1021 O HOH 61 -8.721 5.440 1.551 1.00 53.42 O HETATM 1022 O HOH 62 -22.400 6.667 -12.403 1.00 36.16 O HETATM 1023 O HOH 63 1.241 1.938 -9.459 1.00 31.68 O HETATM 1024 O HOH 64 -2.964 -5.822 -11.222 1.00 43.14 O HETATM 1025 O HOH 65 -26.749 17.245 -15.027 1.00 39.35 O HETATM 1026 O HOH 66 -9.538 12.647 -26.146 1.00 35.45 O HETATM 1027 O HOH 67 -6.746 12.352 5.667 1.00 39.75 O HETATM 1028 O HOH 68 2.157 9.047 -8.870 1.00 27.39 O HETATM 1029 O HOH 69 -19.162 6.309 -8.325 1.00 33.53 O HETATM 1030 O HOH 70 -19.539 16.860 -5.543 1.00 41.16 O HETATM 1031 O HOH 71 -16.294 19.242 -7.766 1.00 51.90 O HETATM 1032 O HOH 72 -17.152 -1.963 -2.299 1.00 46.52 O HETATM 1033 O HOH 73 -19.752 6.323 -5.625 1.00 27.64 O HETATM 1034 O HOH 74 -25.444 15.822 -6.860 1.00 43.14 O HETATM 1035 O HOH 75 -0.521 -1.338 -9.475 1.00 32.83 O HETATM 1036 O HOH 76 -27.555 10.926 -12.105 1.00 47.12 O HETATM 1037 O HOH 77 -22.496 16.683 -5.530 1.00 49.48 O HETATM 1038 O HOH 78 -0.490 14.857 -9.996 1.00 40.40 O HETATM 1039 O HOH 79 1.480 -1.781 -7.761 1.00 52.25 O HETATM 1040 O HOH 80 -1.564 -3.954 -9.020 1.00 48.80 O HETATM 1041 O HOH 81 0.856 10.384 -4.868 1.00 49.28 O HETATM 1042 O HOH 82 -13.139 -3.810 -21.658 1.00 45.55 O HETATM 1043 O HOH 83 -20.857 5.103 -10.329 1.00 36.20 O HETATM 1044 O HOH 84 -2.161 -4.461 -19.795 1.00 48.11 O HETATM 1045 O HOH 85 -18.195 8.165 -24.188 1.00 36.48 O HETATM 1046 O HOH 86 -13.553 0.728 -22.342 1.00 44.21 O HETATM 1047 O HOH 87 -7.320 11.475 -25.421 1.00 49.16 O HETATM 1048 O HOH 88 -14.581 3.307 -23.524 1.00 39.65 O HETATM 1049 O HOH 89 -28.284 13.236 -19.193 1.00 43.65 O HETATM 1050 O HOH 90 -25.284 14.338 -20.442 1.00 35.39 O HETATM 1051 O HOH 91 -25.565 3.762 -20.884 1.00 34.15 O HETATM 1052 O HOH 92 -21.125 11.690 -24.968 1.00 35.12 O HETATM 1053 O HOH 93 -15.827 17.054 -24.147 1.00 29.66 O HETATM 1054 O HOH 94 -25.517 21.343 -20.892 1.00 43.95 O HETATM 1055 O HOH 95 -25.357 21.470 -25.034 1.00 35.41 O HETATM 1056 O HOH 96 -21.374 25.462 -20.777 1.00 50.94 O HETATM 1057 O HOH 97 -14.168 18.983 -23.412 1.00 36.91 O HETATM 1058 O HOH 98 -26.611 24.739 -26.566 1.00 42.25 O HETATM 1059 O HOH 99 -27.984 13.497 -23.938 1.00 41.52 O HETATM 1060 O HOH 100 -25.618 10.174 -25.893 1.00 34.25 O HETATM 1061 N PRO A 101 -28.103 10.276 -23.500 1.00 0.25 N HETATM 1062 CA PRO A 101 -28.106 11.004 -22.226 1.00 0.07 C HETATM 1063 C PRO A 101 -26.717 11.485 -21.813 1.00 0.23 C HETATM 1064 O PRO A 101 -26.557 12.059 -20.736 1.00 -0.39 O HETATM 1065 N PRO A 101 -25.725 11.254 -22.671 1.00 -0.26 N HETATM 1066 CA PRO A 101 -24.349 11.648 -22.400 1.00 0.14 C HETATM 1067 C PRO A 101 -23.887 12.794 -23.289 1.00 0.21 C HETATM 1068 O PRO A 101 -22.693 13.113 -23.302 1.00 -0.39 O HETATM 1069 N PRO A 101 -24.798 13.422 -24.027 1.00 -0.26 N HETATM 1070 CA PRO A 101 -24.467 14.539 -24.894 1.00 0.13 C HETATM 1071 C PRO A 101 -24.727 15.853 -24.162 1.00 0.20 C HETATM 1072 O PRO A 101 -25.113 15.880 -22.990 1.00 -0.39 O HETATM 1073 N PRO A 101 -24.512 16.958 -24.867 1.00 -0.27 N HETATM 1074 CA PRO A 101 -24.695 18.277 -24.290 1.00 0.12 C HETATM 1075 C PRO A 101 -23.404 18.831 -23.724 1.00 0.20 C HETATM 1076 O PRO A 101 -22.530 18.079 -23.294 1.00 -0.39 O HETATM 1077 N PRO A 101 -23.282 20.154 -23.719 1.00 -0.26 N HETATM 1078 CA PRO A 101 -22.060 20.801 -23.265 1.00 0.16 C HETATM 1079 CB PRO A 101 -22.049 22.271 -23.686 1.00 0.12 C HETATM 1080 OG PRO A 101 -23.209 22.894 -23.171 1.00 -0.27 O HETATM 1081 P PRO A 101 -23.732 24.268 -23.823 1.00 0.20 P HETATM 1082 O1P PRO A 101 -23.834 24.096 -25.350 1.00 -0.55 O HETATM 1083 O2P PRO A 101 -22.741 25.402 -23.505 1.00 -0.55 O HETATM 1084 O3P PRO A 101 -25.114 24.609 -23.236 1.00 -0.55 O HETATM 1085 H29 PRO A 101 -22.046 22.343 -24.784 1.00 0.07 H HETATM 1086 H30 PRO A 101 -21.153 22.765 -23.284 1.00 0.07 H HETATM 1087 C PRO A 101 -21.889 20.684 -21.753 1.00 0.21 C HETATM 1088 O PRO A 101 -22.863 20.544 -21.012 1.00 -0.39 O HETATM 1089 N PRO A 101 -20.635 20.738 -21.312 1.00 -0.26 N HETATM 1090 CA PRO A 101 -20.287 20.659 -19.899 1.00 0.16 C HETATM 1091 CB PRO A 101 -18.823 20.242 -19.757 1.00 0.13 C HETATM 1092 CG2 PRO A 101 -18.404 20.125 -18.290 1.00 -0.03 C HETATM 1093 H34 PRO A 101 -17.348 19.824 -18.233 1.00 0.03 H HETATM 1094 H35 PRO A 101 -19.028 19.370 -17.790 1.00 0.03 H HETATM 1095 H36 PRO A 101 -18.535 21.097 -17.792 1.00 0.03 H HETATM 1096 OG1 PRO A 101 -18.634 18.986 -20.406 1.00 -0.27 O HETATM 1097 P PRO A 101 -17.813 18.927 -21.786 1.00 0.20 P HETATM 1098 O1P PRO A 101 -18.462 19.874 -22.814 1.00 -0.55 O HETATM 1099 O2P PRO A 101 -17.828 17.483 -22.322 1.00 -0.55 O HETATM 1100 O3P PRO A 101 -16.363 19.382 -21.535 1.00 -0.55 O HETATM 1101 H33 PRO A 101 -18.191 21.000 -20.244 1.00 0.07 H HETATM 1102 C PRO A 101 -20.515 22.002 -19.220 1.00 0.21 C HETATM 1103 O PRO A 101 -20.289 23.053 -19.819 1.00 -0.39 O HETATM 1104 N PRO A 101 -20.956 21.965 -17.967 1.00 -0.27 N HETATM 1105 CA PRO A 101 -21.150 23.184 -17.189 1.00 0.11 C HETATM 1106 C PRO A 101 -19.854 23.985 -17.089 1.00 0.06 C HETATM 1107 O PRO A 101 -18.935 23.609 -16.361 1.00 -0.57 O HETATM 1108 OXT PRO A 101 -19.703 25.023 -17.734 1.00 -0.57 O HETATM 1109 CB PRO A 101 -21.667 22.849 -15.790 1.00 0.04 C HETATM 1110 CG PRO A 101 -23.153 22.553 -15.774 1.00 0.04 C HETATM 1111 OD1 PRO A 101 -23.706 22.223 -16.844 1.00 -0.57 O HETATM 1112 OD2 PRO A 101 -23.767 22.650 -14.691 1.00 -0.57 O HETATM 1113 H39 PRO A 101 -21.471 23.705 -15.127 1.00 0.05 H HETATM 1114 H40 PRO A 101 -21.128 21.966 -15.417 1.00 0.05 H HETATM 1115 H38 PRO A 101 -21.902 23.803 -17.700 1.00 0.07 H HETATM 1116 H37 PRO A 101 -21.160 21.081 -17.547 1.00 0.19 H HETATM 1117 H32 PRO A 101 -20.924 19.904 -19.416 1.00 0.08 H HETATM 1118 H31 PRO A 101 -19.898 20.837 -21.980 1.00 0.19 H HETATM 1119 H28 PRO A 101 -21.208 20.297 -23.745 1.00 0.08 H HETATM 1120 H27 PRO A 101 -24.046 20.717 -24.034 1.00 0.19 H HETATM 1121 H25 PRO A 101 -25.438 18.211 -23.482 1.00 0.08 H HETATM 1122 H26 PRO A 101 -25.062 18.959 -25.071 1.00 0.08 H HETATM 1123 H24 PRO A 101 -24.217 16.879 -25.819 1.00 0.19 H HETATM 1124 CB PRO A 101 -25.267 14.458 -26.196 1.00 -0.02 C HETATM 1125 H21 PRO A 101 -25.005 15.310 -26.841 1.00 0.03 H HETATM 1126 H22 PRO A 101 -26.343 14.488 -25.968 1.00 0.03 H HETATM 1127 H23 PRO A 101 -25.028 13.518 -26.715 1.00 0.03 H HETATM 1128 H20 PRO A 101 -23.397 14.486 -25.143 1.00 0.08 H HETATM 1129 H19 PRO A 101 -25.748 13.113 -23.983 1.00 0.19 H HETATM 1130 CB PRO A 101 -23.422 10.443 -22.567 1.00 0.02 C HETATM 1131 CG PRO A 101 -23.845 9.246 -21.748 1.00 -0.05 C HETATM 1132 CD1 PRO A 101 -23.765 9.267 -20.361 1.00 -0.07 C HETATM 1133 CE1 PRO A 101 -24.149 8.176 -19.607 1.00 -0.04 C HETATM 1134 CZ PRO A 101 -24.622 7.045 -20.239 1.00 0.08 C HETATM 1135 CE2 PRO A 101 -24.711 7.000 -21.614 1.00 -0.04 C HETATM 1136 CD2 PRO A 101 -24.324 8.096 -22.359 1.00 -0.07 C HETATM 1137 H15 PRO A 101 -24.396 8.057 -23.440 1.00 0.05 H HETATM 1138 H17 PRO A 101 -25.083 6.109 -22.107 1.00 0.05 H HETATM 1139 OH PRO A 101 -25.008 5.955 -19.493 1.00 -0.34 O HETATM 1140 H18 PRO A 101 -24.480 5.204 -19.735 1.00 0.25 H HETATM 1141 H16 PRO A 101 -24.079 8.208 -18.526 1.00 0.05 H HETATM 1142 H14 PRO A 101 -23.395 10.155 -19.862 1.00 0.05 H HETATM 1143 H12 PRO A 101 -22.408 10.737 -22.258 1.00 0.05 H HETATM 1144 H13 PRO A 101 -23.413 10.154 -23.628 1.00 0.05 H HETATM 1145 H11 PRO A 101 -24.293 11.987 -21.355 1.00 0.08 H HETATM 1146 H10 PRO A 101 -25.933 10.793 -23.534 1.00 0.19 H HETATM 1147 CB PRO A 101 -28.641 9.967 -21.236 1.00 0.01 C HETATM 1148 CG PRO A 101 -28.241 8.659 -21.815 1.00 -0.01 C HETATM 1149 CD PRO A 101 -28.298 8.828 -23.309 1.00 -0.03 C HETATM 1150 H8 PRO A 101 -27.497 8.255 -23.800 1.00 0.08 H HETATM 1151 H9 PRO A 101 -29.273 8.507 -23.704 1.00 0.08 H HETATM 1152 H6 PRO A 101 -28.937 7.870 -21.493 1.00 0.03 H HETATM 1153 H7 PRO A 101 -27.220 8.398 -21.499 1.00 0.03 H HETATM 1154 H4 PRO A 101 -29.736 10.037 -21.153 1.00 0.03 H HETATM 1155 H5 PRO A 101 -28.188 10.107 -20.243 1.00 0.03 H HETATM 1156 H3 PRO A 101 -28.779 11.872 -22.283 1.00 0.11 H HETATM 1157 H1 PRO A 101 -27.219 10.427 -23.959 1.00 0.20 H HETATM 1158 H2 PRO A 101 -28.848 10.631 -24.079 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1061 1062 1149 1157 1158 CONECT 1062 1061 1063 1147 1156 CONECT 1063 1062 1064 1065 CONECT 1064 1063 CONECT 1065 1063 1066 1146 CONECT 1066 1065 1067 1130 1145 CONECT 1067 1066 1068 1069 CONECT 1068 1067 CONECT 1069 1067 1070 1129 CONECT 1070 1069 1071 1124 1128 CONECT 1071 1070 1072 1073 CONECT 1072 1071 CONECT 1073 1071 1074 1123 CONECT 1074 1073 1075 1121 1122 CONECT 1075 1074 1076 1077 CONECT 1076 1075 CONECT 1077 1075 1078 1120 CONECT 1078 1077 1079 1087 1119 CONECT 1079 1078 1080 1085 1086 CONECT 1080 1079 1081 CONECT 1081 1080 1082 1083 1084 CONECT 1082 1081 CONECT 1083 1081 CONECT 1084 1081 CONECT 1085 1079 CONECT 1086 1079 CONECT 1087 1078 1088 1089 CONECT 1088 1087 CONECT 1089 1087 1090 1118 CONECT 1090 1089 1091 1102 1117 CONECT 1091 1090 1092 1096 1101 CONECT 1092 1091 1093 1094 1095 CONECT 1093 1092 CONECT 1094 1092 CONECT 1095 1092 CONECT 1096 1091 1097 CONECT 1097 1096 1098 1099 1100 CONECT 1098 1097 CONECT 1099 1097 CONECT 1100 1097 CONECT 1101 1091 CONECT 1102 1090 1103 1104 CONECT 1103 1102 CONECT 1104 1102 1105 1116 CONECT 1105 1104 1106 1109 1115 CONECT 1106 1105 1107 1108 CONECT 1107 1106 CONECT 1108 1106 CONECT 1109 1105 1110 1113 1114 CONECT 1110 1109 1111 1112 CONECT 1111 1110 CONECT 1112 1110 CONECT 1113 1109 CONECT 1114 1109 CONECT 1115 1105 CONECT 1116 1104 CONECT 1117 1090 CONECT 1118 1089 CONECT 1119 1078 CONECT 1120 1077 CONECT 1121 1074 CONECT 1122 1074 CONECT 1123 1073 CONECT 1124 1070 1125 1126 1127 CONECT 1125 1124 CONECT 1126 1124 CONECT 1127 1124 CONECT 1128 1070 CONECT 1129 1069 CONECT 1130 1066 1131 1143 1144 CONECT 1131 1130 1132 1136 CONECT 1132 1131 1133 1142 CONECT 1133 1132 1134 1141 CONECT 1134 1133 1135 1139 CONECT 1135 1134 1136 1138 CONECT 1136 1131 1135 1137 CONECT 1137 1136 CONECT 1138 1135 CONECT 1139 1134 1140 CONECT 1140 1139 CONECT 1141 1133 CONECT 1142 1132 CONECT 1143 1130 CONECT 1144 1130 CONECT 1145 1066 CONECT 1146 1065 CONECT 1147 1062 1148 1154 1155 CONECT 1148 1147 1149 1152 1153 CONECT 1149 1061 1148 1150 1151 CONECT 1150 1149 CONECT 1151 1149 CONECT 1152 1148 CONECT 1153 1148 CONECT 1154 1147 CONECT 1155 1147 CONECT 1156 1062 CONECT 1157 1061 CONECT 1158 1061 MASTER 0 0 0 0 0 0 0 0 1157 1 102 8 END
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9-mer
5apr
RCSB PDB
PDBbind
9-mer
5brz
RCSB PDB
PDBbind
9-mer
5bs0
RCSB PDB
PDBbind
9-mer
5cvd
RCSB PDB
PDBbind
9-mer
5d0j
RCSB PDB
PDBbind
9-mer
5dms
RCSB PDB
PDBbind
9-mer
5e4w
RCSB PDB
PDBbind
9-mer
5eel
RCSB PDB
PDBbind
9-mer
5eok
RCSB PDB
PDBbind
9-mer
5fjw
RCSB PDB
PDBbind
9-mer
5gu4
RCSB PDB
PDBbind
9-mer
5hda
RCSB PDB
PDBbind
9-mer
5heb
RCSB PDB
PDBbind
9-mer
5hed
RCSB PDB
PDBbind
9-mer
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfb
RCSB PDB
PDBbind
9-mer
5hfc
RCSB PDB
PDBbind
9-mer
5hff
RCSB PDB
PDBbind
9-mer
5hjc
RCSB PDB
PDBbind
9-mer
5hkh
RCSB PDB
PDBbind
9-mer
5i8c
RCSB PDB
PDBbind
9-mer
5isz
RCSB PDB
PDBbind
9-mer
5jhd
RCSB PDB
PDBbind
9-mer
5lb7
RCSB PDB
PDBbind
9-mer
5lgs
RCSB PDB
PDBbind
9-mer
5nme
RCSB PDB
PDBbind
9-mer
5nmf
RCSB PDB
PDBbind
9-mer
5nmg
RCSB PDB
PDBbind
9-mer
5npr
RCSB PDB
PDBbind
9-mer
5nps
RCSB PDB
PDBbind
9-mer
5swf
RCSB PDB
PDBbind
9-mer
5u98
RCSB PDB
PDBbind
9-mer
5w1v
RCSB PDB
PDBbind
9-mer
5w1w
RCSB PDB
PDBbind
9-mer
5yc3
RCSB PDB
PDBbind
9-mer
5yc4
RCSB PDB
PDBbind
9-mer
5ygf
RCSB PDB
PDBbind
9-mer
5yvx
RCSB PDB
PDBbind
9-mer
5yy4
RCSB PDB
PDBbind
9-mer
5zia
RCSB PDB
PDBbind
9-mer
6bj2
RCSB PDB
PDBbind
9-mer
6bj3
RCSB PDB
PDBbind
9-mer
6c4u
RCSB PDB
PDBbind
9-mer
6evm
RCSB PDB
PDBbind
9-mer
6evn
RCSB PDB
PDBbind
9-mer
6evo
RCSB PDB
PDBbind
9-mer
6evp
RCSB PDB
PDBbind
9-mer
6fdp
RCSB PDB
PDBbind
9-mer
6fdt
RCSB PDB
PDBbind
9-mer
6qts
RCSB PDB
PDBbind
9-mer
6qtq
RCSB PDB
PDBbind
9-mer
6q38
RCSB PDB
PDBbind
9-mer
6o9c
RCSB PDB
PDBbind
9-mer
6o9b
RCSB PDB
PDBbind
9-mer
6ncp
RCSB PDB
PDBbind
9-mer
6mt6
RCSB PDB
PDBbind
9-mer
6mt5
RCSB PDB
PDBbind
9-mer
6mt4
RCSB PDB
PDBbind
9-mer
6i7a
RCSB PDB
PDBbind
9-mer
6i68
RCSB PDB
PDBbind
9-mer
6i5p
RCSB PDB
PDBbind
9-mer
6i41
RCSB PDB
PDBbind
9-mer
6hlb
RCSB PDB
PDBbind
9-mer
6eqa
RCSB PDB
PDBbind
9-mer
6d78
RCSB PDB
PDBbind
9-mer
6aee
RCSB PDB
PDBbind
9-mer
5y5w
RCSB PDB
PDBbind
9-mer
5wlg
RCSB PDB
PDBbind
9-mer
5u1q
RCSB PDB
PDBbind
9-mer
5u06
RCSB PDB
PDBbind
9-mer
5tyi
RCSB PDB
PDBbind
9-mer
5iza
RCSB PDB
PDBbind
9-mer
5iz9
RCSB PDB
PDBbind
9-mer
5iz6
RCSB PDB
PDBbind
9-mer
6a9c
RCSB PDB
PDBbind
9-mer
5b6g
RCSB PDB
PDBbind
9-mer
Entry Information
PDB ID
5w7x
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Aprataxin and PNK-like factor
Ligand Name
9-mer
EC.Number
E.C.4.2.99.18
Resolution
2.01(Å)
Affinity (Kd/Ki/IC50)
Kd=80uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Nucleic Acids Res. Vol. 45: pp. 12374-12387
Ligand Properties
Formula
C
3
0
H
4
8
N
7
O
1
9
P
2
Molecular Weight
872.685
Exact Mass
872.248
No. of atoms
106
No. of bonds
107
Polar Surface Area
453.06
LOGP Value
-5.78 (
Computed with XLOGP3
)
-2.57 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 26
No. of Nitrogen and Oxygen Atoms: 26
No. of Rings: 2
Canonical SMILES
O=C(N[C@H](C(=O)N[C@@H]([C@H](OP(O)(O)O)C)C(=O)N[C@H](C(=O)O)CC(=O)O)COP(O)(O)O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H]1CCC[NH2+]1)C
InChI String
InChI=1S/C30H49N7O19P2/c1-14(33-27(44)19(10-16-5-7-17(38)8-6-16)35-26(43)18-4-3-9-31-18)25(42)32-12-22(39)34-21(13-55-57(49,50)51)28(45)37-24(15(2)56-58(52,53)54)29(46)36-20(30(47)48)11-23(40)41/h5-8,14-15,18-21,24,31,38,49-54,57-58H,3-4,9-13H2,1-2H3,(H,32,42)(H,33,44)(H,34,39)(H,35,43)(H,36,46)(H,37,45)(H,40,41)(H,47,48)/p+1/t14-,15+,18-,19-,20-,21-,24-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q8IW19
P18887
Entrez Gene ID
NCBI Entrez Gene ID:
200558
7515
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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