Browse entries in the PDBbind-CN Database
HEADER 6PVX_COMPLEX COMPND 6PVX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL HET U A 5F 48 SSBOND 1 CYS A 65 CYS A 72 SSBOND 2 CYS A 26 CYS A 84 SSBOND 3 CYS A 40 CYS A 95 SSBOND 4 CYS A 58 CYS A 110 ATOM 1 N LYS A 1 -12.113 3.762 8.786 1.00 60.09 N ATOM 2 CA LYS A 1 -12.035 2.663 9.741 1.00 55.88 C ATOM 3 C LYS A 1 -13.106 1.615 9.457 1.00 51.59 C ATOM 4 O LYS A 1 -13.517 1.423 8.309 1.00 55.60 O ATOM 5 CB LYS A 1 -12.179 3.185 11.175 1.00 43.40 C ATOM 6 HN3 LYS A 1 -13.048 4.213 8.854 1.00 0.00 H ATOM 7 HN2 LYS A 1 -11.973 3.394 7.823 1.00 0.00 H ATOM 8 HN1 LYS A 1 -11.373 4.461 9.002 1.00 0.00 H ATOM 9 N GLU A 2 -13.545 0.946 10.524 1.00 41.87 N ATOM 10 CA GLU A 2 -14.616 -0.044 10.485 1.00 28.04 C ATOM 11 C GLU A 2 -14.953 -0.443 11.914 1.00 20.33 C ATOM 12 O GLU A 2 -14.053 -0.814 12.676 1.00 28.42 O ATOM 13 CB GLU A 2 -14.205 -1.276 9.665 1.00 28.61 C ATOM 14 CG GLU A 2 -15.335 -2.261 9.408 1.00 26.17 C ATOM 15 CD GLU A 2 -14.919 -3.453 8.549 1.00 20.49 C ATOM 16 OE1 GLU A 2 -13.796 -3.974 8.734 1.00 22.68 O ATOM 17 OE2 GLU A 2 -15.732 -3.886 7.701 1.00 22.87 O ATOM 18 H GLU A 2 -13.096 1.142 11.441 1.00 0.00 H ATOM 19 N THR A 3 -16.222 -0.351 12.310 1.00 21.81 N ATOM 20 CA THR A 3 -16.560 -0.833 13.644 1.00 22.94 C ATOM 21 C THR A 3 -16.469 -2.355 13.690 1.00 22.81 C ATOM 22 O THR A 3 -16.535 -3.045 12.670 1.00 20.07 O ATOM 23 CB THR A 3 -17.965 -0.395 14.067 1.00 20.70 C ATOM 24 OG1 THR A 3 -18.954 -1.152 13.350 1.00 22.30 O ATOM 25 CG2 THR A 3 -18.176 1.097 13.829 1.00 30.40 C ATOM 26 HG1 THR A 3 -19.858 -0.861 13.631 1.00 0.00 H ATOM 27 H THR A 3 -16.950 0.053 11.686 1.00 0.00 H ATOM 28 N ALA A 4 -16.309 -2.877 14.903 1.00 24.14 N ATOM 29 CA ALA A 4 -16.268 -4.324 15.079 1.00 20.07 C ATOM 30 C ALA A 4 -17.568 -4.970 14.621 1.00 15.72 C ATOM 31 O ALA A 4 -17.559 -6.065 14.041 1.00 18.54 O ATOM 32 CB ALA A 4 -15.992 -4.656 16.542 1.00 20.60 C ATOM 33 H ALA A 4 -16.213 -2.251 15.728 1.00 0.00 H ATOM 34 N ALA A 5 -18.701 -4.320 14.894 1.00 15.56 N ATOM 35 CA ALA A 5 -19.981 -4.874 14.472 1.00 18.61 C ATOM 36 C ALA A 5 -20.102 -4.890 12.955 1.00 17.03 C ATOM 37 O ALA A 5 -20.620 -5.852 12.374 1.00 14.49 O ATOM 38 CB ALA A 5 -21.131 -4.080 15.084 1.00 21.03 C ATOM 39 H ALA A 5 -18.670 -3.417 15.409 1.00 0.00 H ATOM 40 N ALA A 6 -19.661 -3.815 12.297 1.00 16.04 N ATOM 41 CA ALA A 6 -19.707 -3.790 10.841 1.00 16.80 C ATOM 42 C ALA A 6 -18.754 -4.814 10.252 1.00 16.28 C ATOM 43 O ALA A 6 -19.081 -5.473 9.258 1.00 16.64 O ATOM 44 CB ALA A 6 -19.376 -2.390 10.319 1.00 19.22 C ATOM 45 H ALA A 6 -19.286 -2.999 12.822 1.00 0.00 H ATOM 46 N LYS A 7 -17.570 -4.956 10.850 1.00 16.50 N ATOM 47 CA LYS A 7 -16.629 -5.975 10.407 1.00 12.09 C ATOM 48 C LYS A 7 -17.241 -7.367 10.513 1.00 17.26 C ATOM 49 O LYS A 7 -17.077 -8.191 9.611 1.00 16.00 O ATOM 50 CB LYS A 7 -15.339 -5.890 11.222 1.00 15.96 C ATOM 51 CG LYS A 7 -14.349 -7.003 10.893 1.00 19.85 C ATOM 52 CD LYS A 7 -12.979 -6.696 11.456 1.00 29.11 C ATOM 53 CE LYS A 7 -12.269 -7.969 11.850 1.00 37.22 C ATOM 54 NZ LYS A 7 -10.862 -7.722 12.264 1.00 42.77 N ATOM 55 HZ1 LYS A 7 -10.340 -7.291 11.474 1.00 0.00 H ATOM 56 HZ2 LYS A 7 -10.850 -7.078 13.081 1.00 0.00 H ATOM 57 HZ3 LYS A 7 -10.415 -8.624 12.525 1.00 0.00 H ATOM 58 H LYS A 7 -17.316 -4.332 11.642 1.00 0.00 H ATOM 59 N PHE A 8 -17.949 -7.653 11.609 1.00 13.05 N ATOM 60 CA PHE A 8 -18.616 -8.948 11.718 1.00 9.92 C ATOM 61 C PHE A 8 -19.612 -9.152 10.582 1.00 11.80 C ATOM 62 O PHE A 8 -19.708 -10.250 10.018 1.00 11.75 O ATOM 63 CB PHE A 8 -19.323 -9.076 13.072 1.00 10.82 C ATOM 64 CG PHE A 8 -20.084 -10.362 13.222 1.00 8.75 C ATOM 65 CD1 PHE A 8 -21.388 -10.458 12.764 1.00 9.57 C ATOM 66 CD2 PHE A 8 -19.467 -11.488 13.752 1.00 10.14 C ATOM 67 CE1 PHE A 8 -22.088 -11.629 12.851 1.00 10.51 C ATOM 68 CE2 PHE A 8 -20.172 -12.676 13.857 1.00 8.77 C ATOM 69 CZ PHE A 8 -21.476 -12.752 13.407 1.00 11.51 C ATOM 70 H PHE A 8 -18.025 -6.958 12.379 1.00 0.00 H ATOM 71 N GLU A 9 -20.394 -8.118 10.258 1.00 11.31 N ATOM 72 CA GLU A 9 -21.359 -8.238 9.168 1.00 11.93 C ATOM 73 C GLU A 9 -20.666 -8.505 7.836 1.00 11.92 C ATOM 74 O GLU A 9 -21.120 -9.349 7.057 1.00 13.41 O ATOM 75 CB GLU A 9 -22.228 -6.983 9.095 1.00 13.80 C ATOM 76 CG GLU A 9 -23.038 -6.743 10.355 1.00 15.97 C ATOM 77 CD GLU A 9 -24.142 -5.737 10.146 1.00 18.86 C ATOM 78 OE1 GLU A 9 -24.618 -5.598 8.992 1.00 24.22 O ATOM 79 OE2 GLU A 9 -24.535 -5.087 11.139 1.00 19.74 O ATOM 80 H GLU A 9 -20.315 -7.224 10.784 1.00 0.00 H ATOM 81 N ARG A 10 -19.560 -7.806 7.566 1.00 12.24 N ATOM 82 CA ARG A 10 -18.822 -8.032 6.324 1.00 13.67 C ATOM 83 C ARG A 10 -18.224 -9.428 6.281 1.00 12.28 C ATOM 84 O ARG A 10 -18.258 -10.104 5.245 1.00 12.20 O ATOM 85 CB ARG A 10 -17.714 -6.988 6.181 1.00 15.81 C ATOM 86 CG ARG A 10 -16.716 -7.286 5.051 1.00 17.68 C ATOM 87 CD ARG A 10 -15.700 -6.154 4.909 1.00 14.40 C ATOM 88 NE ARG A 10 -14.875 -5.977 6.098 1.00 19.63 N ATOM 89 CZ ARG A 10 -13.776 -6.676 6.362 1.00 19.79 C ATOM 90 NH1 ARG A 10 -13.365 -7.623 5.533 1.00 21.70 N ATOM 91 NH2 ARG A 10 -13.088 -6.432 7.468 1.00 25.49 N ATOM 92 HE ARG A 10 -15.167 -5.254 6.787 1.00 0.00 H ATOM 93 HH12 ARG A 10 -12.504 -8.165 5.748 1.00 0.00 H ATOM 94 HH11 ARG A 10 -13.903 -7.825 4.667 1.00 0.00 H ATOM 95 HH22 ARG A 10 -12.228 -6.978 7.676 1.00 0.00 H ATOM 96 HH21 ARG A 10 -13.408 -5.695 8.128 1.00 0.00 H ATOM 97 H ARG A 10 -19.221 -7.095 8.245 1.00 0.00 H ATOM 98 N GLN A 11 -17.664 -9.883 7.393 1.00 10.49 N ATOM 99 CA GLN A 11 -16.962 -11.157 7.356 1.00 9.59 C ATOM 100 C GLN A 11 -17.897 -12.349 7.460 1.00 13.07 C ATOM 101 O GLN A 11 -17.562 -13.424 6.964 1.00 13.67 O ATOM 102 CB GLN A 11 -15.938 -11.232 8.476 1.00 12.83 C ATOM 103 CG GLN A 11 -14.813 -10.230 8.312 1.00 17.42 C ATOM 104 CD GLN A 11 -13.745 -10.443 9.338 1.00 31.18 C ATOM 105 OE1 GLN A 11 -12.555 -10.229 9.091 1.00 37.40 O ATOM 106 NE2 GLN A 11 -14.153 -10.904 10.487 1.00 26.45 N ATOM 107 HE22 GLN A 11 -15.167 -11.069 10.651 1.00 0.00 H ATOM 108 HE21 GLN A 11 -13.465 -11.107 11.240 1.00 0.00 H ATOM 109 H GLN A 11 -17.725 -9.339 8.277 1.00 0.00 H ATOM 110 N HIS A 12 -19.062 -12.200 8.097 1.00 12.77 N ATOM 111 CA HIS A 12 -19.806 -13.390 8.500 1.00 11.03 C ATOM 112 C HIS A 12 -21.284 -13.413 8.156 1.00 11.77 C ATOM 113 O HIS A 12 -21.906 -14.463 8.343 1.00 13.52 O ATOM 114 CB HIS A 12 -19.656 -13.607 10.011 1.00 9.47 C ATOM 115 CG HIS A 12 -18.244 -13.840 10.423 1.00 11.89 C ATOM 116 ND1 HIS A 12 -17.533 -14.953 10.034 1.00 11.71 N ATOM 117 CD2 HIS A 12 -17.404 -13.103 11.188 1.00 9.42 C ATOM 118 CE1 HIS A 12 -16.314 -14.893 10.542 1.00 14.41 C ATOM 119 NE2 HIS A 12 -16.210 -13.778 11.247 1.00 11.13 N ATOM 120 H HIS A 12 -19.433 -11.251 8.303 1.00 0.00 H ATOM 121 N MET A 13 -21.869 -12.320 7.673 1.00 9.86 N ATOM 122 CA MET A 13 -23.286 -12.279 7.343 1.00 13.88 C ATOM 123 C MET A 13 -23.490 -12.451 5.844 1.00 15.95 C ATOM 124 O MET A 13 -22.917 -11.706 5.051 1.00 16.15 O ATOM 125 CB MET A 13 -23.921 -10.964 7.800 1.00 16.89 C ATOM 126 CG MET A 13 -24.073 -10.834 9.318 1.00 12.73 C ATOM 127 SD MET A 13 -25.071 -12.163 10.048 1.00 15.49 S ATOM 128 CE MET A 13 -26.596 -12.008 9.132 1.00 12.88 C ATOM 129 H MET A 13 -21.294 -11.466 7.526 1.00 0.00 H ATOM 130 N ASP A 14 -24.343 -13.403 5.460 1.00 15.89 N ATOM 131 CA ASP A 14 -24.821 -13.451 4.072 1.00 15.59 C ATOM 132 C ASP A 14 -26.267 -13.938 4.064 1.00 13.93 C ATOM 133 O ASP A 14 -26.557 -15.086 3.709 1.00 15.94 O ATOM 134 CB ASP A 14 -23.957 -14.329 3.185 1.00 13.65 C ATOM 135 CG ASP A 14 -24.421 -14.287 1.737 1.00 19.03 C ATOM 136 OD1 ASP A 14 -25.163 -13.338 1.414 1.00 22.96 O ATOM 137 OD2 ASP A 14 -24.061 -15.181 0.964 1.00 23.30 O ATOM 138 H ASP A 14 -24.670 -14.113 6.146 1.00 0.00 H ATOM 139 N SER A 15 -27.176 -13.036 4.419 1.00 14.19 N ATOM 140 CA SER A 15 -28.601 -13.343 4.396 1.00 16.61 C ATOM 141 C SER A 15 -29.168 -13.455 2.986 1.00 24.11 C ATOM 142 O SER A 15 -30.302 -13.918 2.835 1.00 26.91 O ATOM 143 CB SER A 15 -29.380 -12.283 5.179 1.00 23.46 C ATOM 144 OG SER A 15 -28.676 -11.867 6.339 1.00 23.78 O ATOM 145 HG SER A 15 -28.527 -12.647 6.931 1.00 0.00 H ATOM 146 H SER A 15 -26.864 -12.091 4.720 1.00 0.00 H ATOM 147 N SER A 16 -28.416 -13.057 1.954 1.00 23.17 N ATOM 148 CA SER A 16 -28.971 -13.045 0.599 1.00 29.30 C ATOM 149 C SER A 16 -29.267 -14.449 0.071 1.00 38.26 C ATOM 150 O SER A 16 -30.243 -14.635 -0.663 1.00 33.57 O ATOM 151 CB SER A 16 -28.023 -12.315 -0.352 1.00 32.38 C ATOM 152 OG SER A 16 -27.734 -11.007 0.122 1.00 39.22 O ATOM 153 HG SER A 16 -27.120 -10.556 -0.510 1.00 0.00 H ATOM 154 H SER A 16 -27.434 -12.755 2.114 1.00 0.00 H ATOM 155 N THR A 17 -28.449 -15.439 0.411 1.00 30.02 N ATOM 156 CA THR A 17 -28.676 -16.809 -0.025 1.00 38.06 C ATOM 157 C THR A 17 -29.113 -17.671 1.153 1.00 37.33 C ATOM 158 O THR A 17 -28.696 -17.453 2.291 1.00 26.82 O ATOM 159 CB THR A 17 -27.420 -17.407 -0.662 1.00 35.95 C ATOM 160 OG1 THR A 17 -26.328 -17.325 0.264 1.00 35.00 O ATOM 161 CG2 THR A 17 -27.060 -16.653 -1.932 1.00 44.15 C ATOM 162 HG1 THR A 17 -26.554 -17.830 1.085 1.00 0.00 H ATOM 163 H THR A 17 -27.622 -15.229 1.006 1.00 0.00 H ATOM 164 N SER A 18 -29.959 -18.661 0.866 1.00 33.05 N ATOM 165 CA SER A 18 -30.427 -19.573 1.902 1.00 34.44 C ATOM 166 C SER A 18 -29.362 -20.576 2.301 1.00 31.06 C ATOM 167 O SER A 18 -29.405 -21.095 3.424 1.00 27.84 O ATOM 168 CB SER A 18 -31.666 -20.333 1.428 1.00 31.61 C ATOM 169 OG SER A 18 -31.301 -21.349 0.507 1.00 35.84 O ATOM 170 HG SER A 18 -32.113 -21.831 0.210 1.00 0.00 H ATOM 171 H SER A 18 -30.290 -18.784 -0.112 1.00 0.00 H ATOM 172 N ALA A 19 -28.414 -20.850 1.408 1.00 23.53 N ATOM 173 CA ALA A 19 -27.405 -21.881 1.600 1.00 25.56 C ATOM 174 C ALA A 19 -26.434 -21.829 0.437 1.00 33.57 C ATOM 175 O ALA A 19 -26.785 -21.391 -0.664 1.00 40.50 O ATOM 176 CB ALA A 19 -28.032 -23.279 1.695 1.00 36.66 C ATOM 177 H ALA A 19 -28.393 -20.298 0.527 1.00 0.00 H ATOM 178 N ALA A 20 -25.213 -22.281 0.693 1.00 31.45 N ATOM 179 CA ALA A 20 -24.234 -22.424 -0.373 1.00 36.35 C ATOM 180 C ALA A 20 -24.714 -23.496 -1.340 1.00 42.60 C ATOM 181 O ALA A 20 -24.839 -24.671 -0.975 1.00 37.16 O ATOM 182 CB ALA A 20 -22.872 -22.778 0.203 1.00 36.91 C ATOM 183 H ALA A 20 -24.953 -22.536 1.667 1.00 0.00 H ATOM 184 N SER A 21 -25.015 -23.084 -2.568 1.00 44.40 N ATOM 185 CA SER A 21 -25.312 -24.022 -3.633 1.00 49.11 C ATOM 186 C SER A 21 -24.258 -24.027 -4.726 1.00 54.39 C ATOM 187 O SER A 21 -24.139 -25.029 -5.438 1.00 50.78 O ATOM 188 CB SER A 21 -26.681 -23.719 -4.261 1.00 45.61 C ATOM 189 OG SER A 21 -26.648 -22.518 -5.009 1.00 49.88 O ATOM 190 HG SER A 21 -25.979 -22.601 -5.734 1.00 0.00 H ATOM 191 H SER A 21 -25.038 -22.064 -2.769 1.00 0.00 H ATOM 192 N SER A 22 -23.492 -22.954 -4.879 1.00 46.59 N ATOM 193 CA SER A 22 -22.410 -22.959 -5.846 1.00 35.85 C ATOM 194 C SER A 22 -21.136 -23.406 -5.145 1.00 38.86 C ATOM 195 O SER A 22 -20.803 -22.914 -4.057 1.00 28.63 O ATOM 196 CB SER A 22 -22.227 -21.589 -6.505 1.00 33.10 C ATOM 197 OG SER A 22 -21.183 -20.843 -5.910 1.00 38.19 O ATOM 198 HG SER A 22 -21.387 -20.699 -4.952 1.00 0.00 H ATOM 199 H SER A 22 -23.668 -22.106 -4.303 1.00 0.00 H ATOM 200 N SER A 23 -20.452 -24.374 -5.759 1.00 36.06 N ATOM 201 CA SER A 23 -19.099 -24.714 -5.350 1.00 30.90 C ATOM 202 C SER A 23 -18.163 -23.524 -5.486 1.00 21.21 C ATOM 203 O SER A 23 -17.076 -23.538 -4.905 1.00 32.07 O ATOM 204 CB SER A 23 -18.585 -25.891 -6.183 1.00 31.89 C ATOM 205 OG SER A 23 -18.855 -25.693 -7.568 1.00 25.67 O ATOM 206 HG SER A 23 -18.406 -24.866 -7.876 1.00 0.00 H ATOM 207 H SER A 23 -20.895 -24.894 -6.543 1.00 0.00 H ATOM 208 N ASN A 24 -18.573 -22.492 -6.228 1.00 33.05 N ATOM 209 CA ASN A 24 -17.822 -21.251 -6.374 1.00 31.54 C ATOM 210 C ASN A 24 -18.035 -20.280 -5.221 1.00 30.50 C ATOM 211 O ASN A 24 -17.365 -19.244 -5.191 1.00 22.94 O ATOM 212 CB ASN A 24 -18.222 -20.531 -7.665 1.00 35.33 C ATOM 213 CG ASN A 24 -18.050 -21.386 -8.897 1.00 42.46 C ATOM 214 OD1 ASN A 24 -17.062 -22.108 -9.040 1.00 44.88 O ATOM 215 ND2 ASN A 24 -19.019 -21.307 -9.803 1.00 41.58 N ATOM 216 HD22 ASN A 24 -19.835 -20.683 -9.639 1.00 0.00 H ATOM 217 HD21 ASN A 24 -18.962 -21.869 -10.676 1.00 0.00 H ATOM 218 H ASN A 24 -19.480 -22.579 -6.730 1.00 0.00 H ATOM 219 N TYR A 25 -18.952 -20.584 -4.294 1.00 27.92 N ATOM 220 CA TYR A 25 -19.425 -19.585 -3.334 1.00 26.04 C ATOM 221 C TYR A 25 -18.271 -18.962 -2.557 1.00 15.99 C ATOM 222 O TYR A 25 -18.130 -17.732 -2.507 1.00 20.38 O ATOM 223 CB TYR A 25 -20.432 -20.220 -2.371 1.00 33.59 C ATOM 224 CG TYR A 25 -20.958 -19.266 -1.313 1.00 25.30 C ATOM 225 CD1 TYR A 25 -21.998 -18.393 -1.593 1.00 24.37 C ATOM 226 CD2 TYR A 25 -20.401 -19.230 -0.035 1.00 24.84 C ATOM 227 CE1 TYR A 25 -22.481 -17.517 -0.632 1.00 29.78 C ATOM 228 CE2 TYR A 25 -20.881 -18.360 0.929 1.00 21.50 C ATOM 229 CZ TYR A 25 -21.916 -17.508 0.629 1.00 25.01 C ATOM 230 OH TYR A 25 -22.397 -16.625 1.574 1.00 22.00 O ATOM 231 HH TYR A 25 -23.137 -16.096 1.183 1.00 0.00 H ATOM 232 H TYR A 25 -19.336 -21.550 -4.255 1.00 0.00 H ATOM 233 N CYS A 26 -17.432 -19.797 -1.949 1.00 21.09 N ATOM 234 CA CYS A 26 -16.376 -19.277 -1.091 1.00 17.40 C ATOM 235 C CYS A 26 -15.302 -18.561 -1.890 1.00 22.33 C ATOM 236 O CYS A 26 -14.783 -17.532 -1.450 1.00 18.82 O ATOM 237 CB CYS A 26 -15.770 -20.402 -0.270 1.00 16.21 C ATOM 238 SG CYS A 26 -16.914 -20.953 1.003 1.00 19.57 S ATOM 239 H CYS A 26 -17.530 -20.823 -2.087 1.00 0.00 H ATOM 240 N ASN A 27 -14.939 -19.092 -3.058 1.00 20.89 N ATOM 241 CA ASN A 27 -13.954 -18.386 -3.865 1.00 19.24 C ATOM 242 C ASN A 27 -14.417 -16.975 -4.157 1.00 20.02 C ATOM 243 O ASN A 27 -13.631 -16.028 -4.062 1.00 21.06 O ATOM 244 CB ASN A 27 -13.689 -19.135 -5.167 1.00 19.74 C ATOM 245 CG ASN A 27 -12.929 -20.406 -4.949 1.00 21.15 C ATOM 246 OD1 ASN A 27 -12.143 -20.527 -4.009 1.00 25.04 O ATOM 247 ND2 ASN A 27 -13.150 -21.376 -5.828 1.00 27.19 N ATOM 248 HD22 ASN A 27 -13.823 -21.229 -6.607 1.00 0.00 H ATOM 249 HD21 ASN A 27 -12.650 -22.283 -5.738 1.00 0.00 H ATOM 250 H ASN A 27 -15.350 -19.990 -3.385 1.00 0.00 H ATOM 251 N GLN A 28 -15.701 -16.821 -4.494 1.00 19.52 N ATOM 252 CA GLN A 28 -16.257 -15.511 -4.793 1.00 20.06 C ATOM 253 C GLN A 28 -16.420 -14.671 -3.533 1.00 18.51 C ATOM 254 O GLN A 28 -16.069 -13.486 -3.522 1.00 19.61 O ATOM 255 CB GLN A 28 -17.600 -15.678 -5.509 1.00 23.37 C ATOM 256 CG GLN A 28 -17.495 -16.456 -6.824 1.00 30.04 C ATOM 257 CD GLN A 28 -18.843 -16.739 -7.460 1.00 45.11 C ATOM 258 OE1 GLN A 28 -19.877 -16.709 -6.791 1.00 43.47 O ATOM 259 NE2 GLN A 28 -18.839 -17.014 -8.764 1.00 41.90 N ATOM 260 HE22 GLN A 28 -17.942 -17.028 -9.290 1.00 0.00 H ATOM 261 HE21 GLN A 28 -19.733 -17.214 -9.256 1.00 0.00 H ATOM 262 H GLN A 28 -16.317 -17.658 -4.544 1.00 0.00 H ATOM 263 N MET A 29 -16.954 -15.269 -2.460 1.00 21.27 N ATOM 264 CA MET A 29 -17.324 -14.499 -1.275 1.00 21.85 C ATOM 265 C MET A 29 -16.109 -14.111 -0.444 1.00 17.80 C ATOM 266 O MET A 29 -16.044 -12.992 0.077 1.00 17.23 O ATOM 267 CB MET A 29 -18.315 -15.299 -0.426 1.00 15.98 C ATOM 268 CG MET A 29 -19.721 -15.320 -0.989 1.00 21.57 C ATOM 269 SD MET A 29 -20.513 -13.714 -0.885 1.00 25.79 S ATOM 270 CE MET A 29 -20.843 -13.602 0.873 1.00 19.25 C ATOM 271 H MET A 29 -17.108 -16.298 -2.471 1.00 0.00 H ATOM 272 N MET A 30 -15.144 -15.020 -0.296 1.00 16.63 N ATOM 273 CA MET A 30 -13.916 -14.652 0.400 1.00 13.86 C ATOM 274 C MET A 30 -13.247 -13.463 -0.279 1.00 18.08 C ATOM 275 O MET A 30 -12.688 -12.591 0.390 1.00 16.64 O ATOM 276 CB MET A 30 -12.971 -15.852 0.462 1.00 16.98 C ATOM 277 CG MET A 30 -13.497 -16.992 1.347 1.00 13.88 C ATOM 278 SD MET A 30 -13.818 -16.493 3.052 1.00 13.90 S ATOM 279 CE MET A 30 -12.135 -16.335 3.647 1.00 17.96 C ATOM 280 H MET A 30 -15.266 -15.982 -0.673 1.00 0.00 H ATOM 281 N LYS A 31 -13.321 -13.392 -1.609 1.00 20.01 N ATOM 282 CA LYS A 31 -12.719 -12.259 -2.303 1.00 19.82 C ATOM 283 C LYS A 31 -13.559 -10.990 -2.162 1.00 18.51 C ATOM 284 O LYS A 31 -13.035 -9.928 -1.802 1.00 19.50 O ATOM 285 CB LYS A 31 -12.502 -12.606 -3.776 1.00 22.12 C ATOM 286 CG LYS A 31 -11.509 -11.681 -4.456 1.00 28.39 C ATOM 287 CD LYS A 31 -11.642 -11.712 -5.964 1.00 38.60 C ATOM 288 CE LYS A 31 -10.750 -10.657 -6.596 1.00 36.61 C ATOM 289 NZ LYS A 31 -9.436 -10.589 -5.902 1.00 46.87 N ATOM 290 HZ1 LYS A 31 -9.586 -10.346 -4.902 1.00 0.00 H ATOM 291 HZ2 LYS A 31 -8.962 -11.512 -5.969 1.00 0.00 H ATOM 292 HZ3 LYS A 31 -8.845 -9.861 -6.352 1.00 0.00 H ATOM 293 H LYS A 31 -13.804 -14.139 -2.147 1.00 0.00 H ATOM 294 N SER A 32 -14.870 -11.085 -2.408 1.00 17.40 N ATOM 295 CA SER A 32 -15.692 -9.881 -2.449 1.00 17.31 C ATOM 296 C SER A 32 -15.860 -9.248 -1.076 1.00 18.42 C ATOM 297 O SER A 32 -16.111 -8.044 -0.986 1.00 22.53 O ATOM 298 CB SER A 32 -17.061 -10.183 -3.052 1.00 23.46 C ATOM 299 OG SER A 32 -17.772 -11.128 -2.276 1.00 23.83 O ATOM 300 HG SER A 32 -18.653 -11.301 -2.694 1.00 0.00 H ATOM 301 H SER A 32 -15.303 -12.017 -2.570 1.00 0.00 H ATOM 302 N ARG A 33 -15.733 -10.029 -0.005 1.00 18.47 N ATOM 303 CA ARG A 33 -15.804 -9.486 1.343 1.00 19.05 C ATOM 304 C ARG A 33 -14.435 -9.086 1.878 1.00 18.05 C ATOM 305 O ARG A 33 -14.309 -8.778 3.068 1.00 18.30 O ATOM 306 CB ARG A 33 -16.472 -10.488 2.287 1.00 15.23 C ATOM 307 CG ARG A 33 -17.920 -10.802 1.893 1.00 16.92 C ATOM 308 CD ARG A 33 -18.816 -9.569 1.954 1.00 13.09 C ATOM 309 NE ARG A 33 -20.215 -9.943 1.743 1.00 17.90 N ATOM 310 CZ ARG A 33 -21.023 -10.382 2.707 1.00 15.60 C ATOM 311 NH1 ARG A 33 -20.578 -10.473 3.960 1.00 15.28 N ATOM 312 NH2 ARG A 33 -22.280 -10.707 2.427 1.00 17.19 N ATOM 313 HE ARG A 33 -20.602 -9.861 0.781 1.00 0.00 H ATOM 314 HH12 ARG A 33 -21.209 -10.816 4.712 1.00 0.00 H ATOM 315 HH11 ARG A 33 -19.600 -10.201 4.185 1.00 0.00 H ATOM 316 HH22 ARG A 33 -22.909 -11.049 3.181 1.00 0.00 H ATOM 317 HH21 ARG A 33 -22.635 -10.619 1.454 1.00 0.00 H ATOM 318 H ARG A 33 -15.580 -11.049 -0.135 1.00 0.00 H ATOM 319 N ASN A 34 -13.417 -9.103 1.020 1.00 21.03 N ATOM 320 CA ASN A 34 -12.086 -8.577 1.307 1.00 21.24 C ATOM 321 C ASN A 34 -11.321 -9.420 2.315 1.00 25.09 C ATOM 322 O ASN A 34 -10.457 -8.911 3.028 1.00 25.57 O ATOM 323 CB ASN A 34 -12.150 -7.119 1.762 1.00 22.89 C ATOM 324 CG ASN A 34 -12.053 -6.159 0.601 1.00 42.30 C ATOM 325 OD1 ASN A 34 -11.048 -6.140 -0.109 1.00 39.28 O ATOM 326 ND2 ASN A 34 -13.104 -5.369 0.384 1.00 45.75 N ATOM 327 HD22 ASN A 34 -13.932 -5.421 1.011 1.00 0.00 H ATOM 328 HD21 ASN A 34 -13.096 -4.701 -0.413 1.00 0.00 H ATOM 329 H ASN A 34 -13.581 -9.519 0.081 1.00 0.00 H ATOM 330 N LEU A 35 -11.604 -10.718 2.366 1.00 18.43 N ATOM 331 CA LEU A 35 -10.897 -11.634 3.246 1.00 19.68 C ATOM 332 C LEU A 35 -9.723 -12.304 2.554 1.00 19.96 C ATOM 333 O LEU A 35 -9.112 -13.210 3.123 1.00 24.13 O ATOM 334 CB LEU A 35 -11.863 -12.686 3.790 1.00 19.96 C ATOM 335 CG LEU A 35 -13.196 -12.079 4.227 1.00 20.96 C ATOM 336 CD1 LEU A 35 -14.137 -13.155 4.696 1.00 20.05 C ATOM 337 CD2 LEU A 35 -12.954 -11.065 5.323 1.00 23.38 C ATOM 338 H LEU A 35 -12.358 -11.091 1.755 1.00 0.00 H ATOM 339 N THR A 36 -9.398 -11.875 1.336 1.00 26.00 N ATOM 340 CA THR A 36 -8.206 -12.335 0.638 1.00 26.75 C ATOM 341 C THR A 36 -7.331 -11.166 0.206 1.00 28.49 C ATOM 342 O THR A 36 -6.514 -11.313 -0.702 1.00 27.54 O ATOM 343 CB THR A 36 -8.577 -13.184 -0.576 1.00 23.69 C ATOM 344 OG1 THR A 36 -9.270 -12.377 -1.538 1.00 23.67 O ATOM 345 CG2 THR A 36 -9.468 -14.364 -0.173 1.00 25.29 C ATOM 346 HG1 THR A 36 -10.094 -12.012 -1.128 1.00 0.00 H ATOM 347 H THR A 36 -10.019 -11.186 0.866 1.00 0.00 H ATOM 348 N LYS A 37 -7.486 -10.004 0.841 1.00 24.86 N ATOM 349 CA LYS A 37 -6.820 -8.808 0.338 1.00 27.20 C ATOM 350 C LYS A 37 -5.329 -8.824 0.652 1.00 30.56 C ATOM 351 O LYS A 37 -4.498 -8.617 -0.239 1.00 34.73 O ATOM 352 CB LYS A 37 -7.480 -7.558 0.918 1.00 30.16 C ATOM 353 CG LYS A 37 -6.888 -6.254 0.419 1.00 33.81 C ATOM 354 CD LYS A 37 -7.669 -5.067 0.959 1.00 37.44 C ATOM 355 CE LYS A 37 -6.949 -3.764 0.667 1.00 40.66 C ATOM 356 NZ LYS A 37 -6.511 -3.111 1.928 1.00 49.41 N ATOM 357 HZ1 LYS A 37 -7.342 -2.911 2.520 1.00 0.00 H ATOM 358 HZ2 LYS A 37 -5.865 -3.745 2.439 1.00 0.00 H ATOM 359 HZ3 LYS A 37 -6.021 -2.221 1.704 1.00 0.00 H ATOM 360 H LYS A 37 -8.080 -9.951 1.693 1.00 0.00 H ATOM 361 N ASP A 38 -4.972 -9.062 1.912 1.00 25.71 N ATOM 362 CA ASP A 38 -3.578 -9.072 2.339 1.00 32.21 C ATOM 363 C ASP A 38 -3.024 -10.470 2.572 1.00 32.44 C ATOM 364 O ASP A 38 -1.804 -10.624 2.696 1.00 32.79 O ATOM 365 CB ASP A 38 -3.415 -8.251 3.625 1.00 35.41 C ATOM 366 CG ASP A 38 -3.872 -6.819 3.460 1.00 38.67 C ATOM 367 OD1 ASP A 38 -3.900 -6.329 2.311 1.00 48.59 O ATOM 368 OD2 ASP A 38 -4.204 -6.183 4.479 1.00 46.64 O ATOM 369 H ASP A 38 -5.714 -9.247 2.617 1.00 0.00 H ATOM 370 N ARG A 39 -3.884 -11.479 2.646 1.00 28.49 N ATOM 371 CA ARG A 39 -3.511 -12.872 2.825 1.00 29.33 C ATOM 372 C ARG A 39 -4.770 -13.677 2.565 1.00 28.72 C ATOM 373 O ARG A 39 -5.875 -13.131 2.582 1.00 29.34 O ATOM 374 CB ARG A 39 -2.981 -13.159 4.233 1.00 28.15 C ATOM 375 CG ARG A 39 -4.088 -13.211 5.282 1.00 34.91 C ATOM 376 CD ARG A 39 -3.603 -12.757 6.652 1.00 43.14 C ATOM 377 NE ARG A 39 -4.362 -13.379 7.735 1.00 50.25 N ATOM 378 CZ ARG A 39 -4.260 -14.655 8.090 1.00 49.52 C ATOM 379 NH1 ARG A 39 -3.413 -15.460 7.461 1.00 44.88 N ATOM 380 NH2 ARG A 39 -5.003 -15.122 9.084 1.00 46.55 N ATOM 381 HE ARG A 39 -5.028 -12.781 8.264 1.00 0.00 H ATOM 382 HH12 ARG A 39 -3.337 -16.458 7.743 1.00 0.00 H ATOM 383 HH11 ARG A 39 -2.825 -15.093 6.686 1.00 0.00 H ATOM 384 HH22 ARG A 39 -4.927 -16.120 9.366 1.00 0.00 H ATOM 385 HH21 ARG A 39 -5.662 -14.490 9.582 1.00 0.00 H ATOM 386 H ARG A 39 -4.897 -11.256 2.570 1.00 0.00 H ATOM 387 N CYS A 40 -4.602 -14.970 2.324 1.00 27.17 N ATOM 388 CA CYS A 40 -5.760 -15.852 2.256 1.00 24.69 C ATOM 389 C CYS A 40 -6.192 -16.151 3.684 1.00 22.38 C ATOM 390 O CYS A 40 -5.510 -16.890 4.399 1.00 28.93 O ATOM 391 CB CYS A 40 -5.433 -17.141 1.508 1.00 24.17 C ATOM 392 SG CYS A 40 -4.722 -16.956 -0.157 1.00 24.49 S ATOM 393 H CYS A 40 -3.646 -15.354 2.184 1.00 0.00 H ATOM 394 N LYS A 41 -7.291 -15.554 4.124 1.00 22.27 N ATOM 395 CA LYS A 41 -7.833 -15.950 5.415 1.00 22.54 C ATOM 396 C LYS A 41 -8.112 -17.450 5.368 1.00 19.90 C ATOM 397 O LYS A 41 -8.794 -17.917 4.448 1.00 20.62 O ATOM 398 CB LYS A 41 -9.108 -15.182 5.753 1.00 21.31 C ATOM 399 CG LYS A 41 -9.669 -15.554 7.123 1.00 22.54 C ATOM 400 CD LYS A 41 -10.903 -14.729 7.493 1.00 20.89 C ATOM 401 CE LYS A 41 -11.239 -14.925 8.972 1.00 24.02 C ATOM 402 NZ LYS A 41 -12.401 -14.115 9.406 1.00 28.45 N ATOM 403 HZ1 LYS A 41 -12.195 -13.107 9.256 1.00 0.00 H ATOM 404 HZ2 LYS A 41 -13.237 -14.385 8.850 1.00 0.00 H ATOM 405 HZ3 LYS A 41 -12.584 -14.287 10.415 1.00 0.00 H ATOM 406 H LYS A 41 -7.757 -14.817 3.557 1.00 0.00 H ATOM 407 N PRO A 42 -7.589 -18.232 6.313 1.00 22.17 N ATOM 408 CA PRO A 42 -7.655 -19.695 6.157 1.00 26.91 C ATOM 409 C PRO A 42 -9.045 -20.286 6.340 1.00 29.02 C ATOM 410 O PRO A 42 -9.405 -21.230 5.626 1.00 24.81 O ATOM 411 CB PRO A 42 -6.677 -20.203 7.230 1.00 26.31 C ATOM 412 CG PRO A 42 -5.863 -19.016 7.621 1.00 30.53 C ATOM 413 CD PRO A 42 -6.724 -17.826 7.429 1.00 28.84 C ATOM 414 N VAL A 43 -9.832 -19.792 7.293 1.00 24.43 N ATOM 415 CA VAL A 43 -11.140 -20.368 7.604 1.00 22.41 C ATOM 416 C VAL A 43 -12.108 -19.228 7.875 1.00 14.31 C ATOM 417 O VAL A 43 -11.764 -18.284 8.592 1.00 18.17 O ATOM 418 CB VAL A 43 -11.072 -21.324 8.814 1.00 26.42 C ATOM 419 CG1 VAL A 43 -12.462 -21.818 9.190 1.00 23.17 C ATOM 420 CG2 VAL A 43 -10.151 -22.501 8.518 1.00 23.34 C ATOM 421 H VAL A 43 -9.505 -18.967 7.836 1.00 0.00 H ATOM 422 N ASN A 44 -13.307 -19.297 7.295 1.00 15.32 N ATOM 423 CA ASN A 44 -14.291 -18.254 7.554 1.00 15.19 C ATOM 424 C ASN A 44 -15.694 -18.786 7.324 1.00 16.80 C ATOM 425 O ASN A 44 -15.939 -19.510 6.354 1.00 20.65 O ATOM 426 CB ASN A 44 -14.051 -17.038 6.660 1.00 12.94 C ATOM 427 CG ASN A 44 -14.937 -15.875 7.016 1.00 13.76 C ATOM 428 OD1 ASN A 44 -14.707 -15.195 8.022 1.00 17.47 O ATOM 429 ND2 ASN A 44 -15.936 -15.606 6.178 1.00 12.74 N ATOM 430 HD22 ASN A 44 -16.091 -16.207 5.344 1.00 0.00 H ATOM 431 HD21 ASN A 44 -16.561 -14.795 6.358 1.00 0.00 H ATOM 432 H ASN A 44 -13.538 -20.090 6.662 1.00 0.00 H ATOM 433 N THR A 45 -16.619 -18.400 8.198 1.00 12.38 N ATOM 434 CA THR A 45 -18.002 -18.843 8.097 1.00 12.18 C ATOM 435 C THR A 45 -18.933 -17.693 7.740 1.00 11.56 C ATOM 436 O THR A 45 -18.835 -16.595 8.302 1.00 10.72 O ATOM 437 CB THR A 45 -18.443 -19.485 9.410 1.00 12.13 C ATOM 438 OG1 THR A 45 -17.540 -20.548 9.717 1.00 14.94 O ATOM 439 CG2 THR A 45 -19.869 -20.062 9.305 1.00 16.85 C ATOM 440 HG1 THR A 45 -17.560 -21.218 8.988 1.00 0.00 H ATOM 441 H THR A 45 -16.347 -17.764 8.975 1.00 0.00 H ATOM 442 N PHE A 46 -19.847 -17.958 6.803 1.00 12.19 N ATOM 443 CA PHE A 46 -20.943 -17.062 6.474 1.00 11.87 C ATOM 444 C PHE A 46 -22.257 -17.652 6.964 1.00 11.03 C ATOM 445 O PHE A 46 -22.512 -18.849 6.790 1.00 15.17 O ATOM 446 CB PHE A 46 -21.015 -16.822 4.963 1.00 14.87 C ATOM 447 CG PHE A 46 -19.857 -16.032 4.429 1.00 15.44 C ATOM 448 CD1 PHE A 46 -19.832 -14.654 4.557 1.00 15.70 C ATOM 449 CD2 PHE A 46 -18.798 -16.669 3.801 1.00 17.50 C ATOM 450 CE1 PHE A 46 -18.761 -13.920 4.075 1.00 15.47 C ATOM 451 CE2 PHE A 46 -17.718 -15.927 3.302 1.00 15.13 C ATOM 452 CZ PHE A 46 -17.713 -14.558 3.448 1.00 12.66 C ATOM 453 H PHE A 46 -19.770 -18.854 6.281 1.00 0.00 H ATOM 454 N VAL A 47 -23.075 -16.807 7.585 1.00 12.16 N ATOM 455 CA VAL A 47 -24.336 -17.216 8.190 1.00 13.24 C ATOM 456 C VAL A 47 -25.485 -16.747 7.313 1.00 13.79 C ATOM 457 O VAL A 47 -25.612 -15.546 7.032 1.00 15.02 O ATOM 458 CB VAL A 47 -24.480 -16.649 9.611 1.00 12.38 C ATOM 459 CG1 VAL A 47 -25.795 -17.135 10.260 1.00 14.58 C ATOM 460 CG2 VAL A 47 -23.272 -17.021 10.459 1.00 12.98 C ATOM 461 H VAL A 47 -22.801 -15.805 7.642 1.00 0.00 H ATOM 462 N HIS A 48 -26.338 -17.688 6.910 1.00 16.16 N ATOM 463 CA HIS A 48 -27.471 -17.407 6.019 1.00 19.95 C ATOM 464 C HIS A 48 -28.756 -17.255 6.823 1.00 20.04 C ATOM 465 O HIS A 48 -29.693 -18.051 6.717 1.00 19.93 O ATOM 466 CB HIS A 48 -27.626 -18.511 4.977 1.00 16.20 C ATOM 467 CG HIS A 48 -26.365 -18.832 4.244 1.00 18.24 C ATOM 468 ND1 HIS A 48 -25.760 -17.943 3.383 1.00 25.29 N ATOM 469 CD2 HIS A 48 -25.593 -19.944 4.242 1.00 19.93 C ATOM 470 CE1 HIS A 48 -24.670 -18.494 2.880 1.00 25.96 C ATOM 471 NE2 HIS A 48 -24.547 -19.711 3.380 1.00 21.63 N ATOM 472 H HIS A 48 -26.195 -18.664 7.241 1.00 0.00 H ATOM 473 N GLU A 49 -28.784 -16.216 7.649 1.00 15.10 N ATOM 474 CA GLU A 49 -29.955 -15.878 8.437 1.00 12.50 C ATOM 475 C GLU A 49 -30.074 -14.368 8.472 1.00 14.18 C ATOM 476 O GLU A 49 -29.126 -13.650 8.145 1.00 17.99 O ATOM 477 CB GLU A 49 -29.871 -16.427 9.872 1.00 17.12 C ATOM 478 CG GLU A 49 -29.648 -17.927 9.977 1.00 15.23 C ATOM 479 CD GLU A 49 -30.847 -18.758 9.539 1.00 16.53 C ATOM 480 OE1 GLU A 49 -31.957 -18.195 9.431 1.00 23.74 O ATOM 481 OE2 GLU A 49 -30.656 -19.971 9.301 1.00 18.91 O ATOM 482 H GLU A 49 -27.935 -15.622 7.735 1.00 0.00 H ATOM 483 N SER A 50 -31.244 -13.886 8.868 1.00 15.03 N ATOM 484 CA SER A 50 -31.436 -12.450 8.980 1.00 15.95 C ATOM 485 C SER A 50 -30.456 -11.871 9.988 1.00 17.63 C ATOM 486 O SER A 50 -30.015 -12.550 10.921 1.00 14.62 O ATOM 487 CB SER A 50 -32.876 -12.130 9.392 1.00 18.46 C ATOM 488 OG SER A 50 -33.172 -12.535 10.722 1.00 20.00 O ATOM 489 HG SER A 50 -34.111 -12.305 10.934 1.00 0.00 H ATOM 490 H SER A 50 -32.023 -14.535 9.098 1.00 0.00 H ATOM 491 N LEU A 51 -30.093 -10.605 9.782 1.00 15.25 N ATOM 492 CA LEU A 51 -29.244 -9.936 10.758 1.00 14.27 C ATOM 493 C LEU A 51 -29.904 -9.923 12.132 1.00 18.10 C ATOM 494 O LEU A 51 -29.233 -10.109 13.154 1.00 15.08 O ATOM 495 CB LEU A 51 -28.931 -8.511 10.297 1.00 19.90 C ATOM 496 CG LEU A 51 -28.075 -7.688 11.261 1.00 19.13 C ATOM 497 CD1 LEU A 51 -26.683 -8.298 11.419 1.00 16.45 C ATOM 498 CD2 LEU A 51 -28.002 -6.234 10.824 1.00 21.13 C ATOM 499 H LEU A 51 -30.413 -10.099 8.932 1.00 0.00 H ATOM 500 N ALA A 52 -31.217 -9.702 12.175 1.00 17.96 N ATOM 501 CA ALA A 52 -31.923 -9.700 13.449 1.00 15.92 C ATOM 502 C ALA A 52 -31.794 -11.048 14.146 1.00 18.02 C ATOM 503 O ALA A 52 -31.588 -11.110 15.366 1.00 18.24 O ATOM 504 CB ALA A 52 -33.398 -9.339 13.236 1.00 18.59 C ATOM 505 H ALA A 52 -31.741 -9.530 11.293 1.00 0.00 H ATOM 506 N ASP A 53 -31.903 -12.140 13.386 1.00 13.94 N ATOM 507 CA ASP A 53 -31.781 -13.467 13.987 1.00 14.79 C ATOM 508 C ASP A 53 -30.374 -13.715 14.536 1.00 13.67 C ATOM 509 O ASP A 53 -30.215 -14.373 15.567 1.00 15.36 O ATOM 510 CB ASP A 53 -32.143 -14.547 12.970 1.00 16.80 C ATOM 511 CG ASP A 53 -33.636 -14.774 12.866 1.00 19.84 C ATOM 512 OD1 ASP A 53 -34.397 -14.081 13.569 1.00 26.19 O ATOM 513 OD2 ASP A 53 -34.040 -15.648 12.079 1.00 23.19 O ATOM 514 H ASP A 53 -32.075 -12.047 12.365 1.00 0.00 H ATOM 515 N VAL A 54 -29.340 -13.235 13.845 1.00 14.70 N ATOM 516 CA VAL A 54 -27.979 -13.445 14.328 1.00 9.18 C ATOM 517 C VAL A 54 -27.686 -12.517 15.508 1.00 11.88 C ATOM 518 O VAL A 54 -27.093 -12.932 16.508 1.00 11.87 O ATOM 519 CB VAL A 54 -26.973 -13.258 13.169 1.00 9.12 C ATOM 520 CG1 VAL A 54 -25.531 -13.360 13.678 1.00 13.65 C ATOM 521 CG2 VAL A 54 -27.239 -14.290 12.085 1.00 13.07 C ATOM 522 H VAL A 54 -29.503 -12.711 12.962 1.00 0.00 H ATOM 523 N GLN A 55 -28.120 -11.256 15.429 1.00 12.49 N ATOM 524 CA GLN A 55 -27.986 -10.358 16.573 1.00 11.56 C ATOM 525 C GLN A 55 -28.697 -10.914 17.809 1.00 13.85 C ATOM 526 O GLN A 55 -28.221 -10.729 18.941 1.00 13.89 O ATOM 527 CB GLN A 55 -28.540 -8.977 16.212 1.00 17.63 C ATOM 528 CG GLN A 55 -27.703 -8.207 15.204 1.00 15.50 C ATOM 529 CD GLN A 55 -28.384 -6.918 14.771 1.00 17.28 C ATOM 530 OE1 GLN A 55 -29.613 -6.818 14.788 1.00 20.24 O ATOM 531 NE2 GLN A 55 -27.590 -5.928 14.387 1.00 19.99 N ATOM 532 HE22 GLN A 55 -26.558 -6.058 14.389 1.00 0.00 H ATOM 533 HE21 GLN A 55 -27.999 -5.021 14.084 1.00 0.00 H ATOM 534 H GLN A 55 -28.555 -10.912 14.549 1.00 0.00 H ATOM 535 N ALA A 56 -29.819 -11.611 17.611 1.00 13.55 N ATOM 536 CA ALA A 56 -30.570 -12.184 18.726 1.00 11.86 C ATOM 537 C ALA A 56 -29.779 -13.243 19.477 1.00 13.50 C ATOM 538 O ALA A 56 -30.095 -13.517 20.644 1.00 12.71 O ATOM 539 CB ALA A 56 -31.878 -12.794 18.220 1.00 14.73 C ATOM 540 H ALA A 56 -30.166 -11.749 16.641 1.00 0.00 H ATOM 541 N VAL A 57 -28.769 -13.841 18.837 1.00 11.04 N ATOM 542 CA VAL A 57 -27.969 -14.864 19.503 1.00 9.55 C ATOM 543 C VAL A 57 -27.247 -14.276 20.704 1.00 12.26 C ATOM 544 O VAL A 57 -26.969 -14.989 21.679 1.00 11.65 O ATOM 545 CB VAL A 57 -27.003 -15.521 18.487 1.00 8.67 C ATOM 546 CG1 VAL A 57 -26.055 -16.527 19.150 1.00 8.77 C ATOM 547 CG2 VAL A 57 -27.794 -16.199 17.367 1.00 12.28 C ATOM 548 H VAL A 57 -28.551 -13.575 17.855 1.00 0.00 H ATOM 549 N CYS A 58 -26.989 -12.963 20.695 1.00 9.50 N ATOM 550 CA CYS A 58 -26.336 -12.313 21.830 1.00 11.91 C ATOM 551 C CYS A 58 -27.169 -12.366 23.103 1.00 11.47 C ATOM 552 O CYS A 58 -26.643 -12.036 24.168 1.00 12.43 O ATOM 553 CB CYS A 58 -26.019 -10.850 21.511 1.00 11.82 C ATOM 554 SG CYS A 58 -24.816 -10.638 20.200 1.00 12.67 S ATOM 555 H CYS A 58 -27.258 -12.395 19.866 1.00 0.00 H ATOM 556 N SER A 59 -28.447 -12.753 23.019 1.00 11.33 N ATOM 557 CA SER A 59 -29.289 -12.969 24.193 1.00 11.39 C ATOM 558 C SER A 59 -29.637 -14.442 24.405 1.00 14.86 C ATOM 559 O SER A 59 -30.551 -14.755 25.177 1.00 15.67 O ATOM 560 CB SER A 59 -30.569 -12.143 24.076 1.00 15.97 C ATOM 561 OG SER A 59 -31.458 -12.740 23.151 1.00 24.19 O ATOM 562 HG SER A 59 -31.024 -12.790 22.263 1.00 0.00 H ATOM 563 H SER A 59 -28.859 -12.907 22.077 1.00 0.00 H ATOM 564 N GLN A 60 -28.926 -15.356 23.739 1.00 10.90 N ATOM 565 CA GLN A 60 -29.249 -16.774 23.848 1.00 10.51 C ATOM 566 C GLN A 60 -28.245 -17.455 24.775 1.00 11.38 C ATOM 567 O GLN A 60 -27.941 -16.898 25.830 1.00 12.75 O ATOM 568 CB GLN A 60 -29.353 -17.382 22.449 1.00 8.58 C ATOM 569 CG GLN A 60 -30.515 -16.674 21.736 1.00 10.23 C ATOM 570 CD GLN A 60 -30.788 -17.113 20.312 1.00 13.12 C ATOM 571 OE1 GLN A 60 -30.267 -18.106 19.831 1.00 13.61 O ATOM 572 NE2 GLN A 60 -31.624 -16.349 19.624 1.00 15.67 N ATOM 573 HE22 GLN A 60 -32.048 -15.510 20.069 1.00 0.00 H ATOM 574 HE21 GLN A 60 -31.856 -16.588 18.639 1.00 0.00 H ATOM 575 H GLN A 60 -28.134 -15.053 23.137 1.00 0.00 H ATOM 576 N LYS A 61 -27.740 -18.642 24.436 1.00 11.28 N ATOM 577 CA LYS A 61 -27.045 -19.462 25.433 1.00 12.04 C ATOM 578 C LYS A 61 -25.614 -18.980 25.649 1.00 9.81 C ATOM 579 O LYS A 61 -24.780 -19.073 24.756 1.00 11.45 O ATOM 580 CB LYS A 61 -27.053 -20.932 25.019 1.00 10.65 C ATOM 581 CG LYS A 61 -26.403 -21.860 26.047 1.00 12.65 C ATOM 582 CD LYS A 61 -26.293 -23.262 25.497 1.00 19.01 C ATOM 583 CE LYS A 61 -25.722 -24.205 26.531 1.00 27.75 C ATOM 584 NZ LYS A 61 -25.623 -25.586 25.989 1.00 40.77 N ATOM 585 HZ1 LYS A 61 -26.570 -25.919 25.717 1.00 0.00 H ATOM 586 HZ2 LYS A 61 -25.002 -25.586 25.155 1.00 0.00 H ATOM 587 HZ3 LYS A 61 -25.228 -26.215 26.717 1.00 0.00 H ATOM 588 H LYS A 61 -27.840 -18.987 23.460 1.00 0.00 H ATOM 589 N ASN A 62 -25.322 -18.500 26.850 1.00 11.75 N ATOM 590 CA ASN A 62 -23.989 -18.011 27.166 1.00 10.63 C ATOM 591 C ASN A 62 -23.042 -19.192 27.352 1.00 12.47 C ATOM 592 O ASN A 62 -23.319 -20.108 28.137 1.00 15.21 O ATOM 593 CB ASN A 62 -24.056 -17.149 28.433 1.00 11.97 C ATOM 594 CG ASN A 62 -22.757 -16.415 28.761 1.00 14.70 C ATOM 595 OD1 ASN A 62 -22.505 -16.148 29.942 1.00 20.31 O ATOM 596 ND2 ASN A 62 -21.955 -16.050 27.761 1.00 13.00 N ATOM 597 HD22 ASN A 62 -22.202 -16.294 26.781 1.00 0.00 H ATOM 598 HD21 ASN A 62 -21.082 -15.521 27.961 1.00 0.00 H ATOM 599 H ASN A 62 -26.061 -18.473 27.581 1.00 0.00 H ATOM 600 N VAL A 63 -21.938 -19.180 26.596 1.00 9.97 N ATOM 601 CA VAL A 63 -20.924 -20.230 26.632 1.00 9.29 C ATOM 602 C VAL A 63 -19.538 -19.598 26.609 1.00 10.59 C ATOM 603 O VAL A 63 -19.349 -18.472 26.154 1.00 11.34 O ATOM 604 CB VAL A 63 -21.066 -21.223 25.447 1.00 10.88 C ATOM 605 CG1 VAL A 63 -22.454 -21.869 25.424 1.00 12.61 C ATOM 606 CG2 VAL A 63 -20.763 -20.537 24.112 1.00 9.64 C ATOM 607 H VAL A 63 -21.794 -18.380 25.948 1.00 0.00 H ATOM 608 N ALA A 64 -18.553 -20.348 27.082 1.00 11.51 N ATOM 609 CA ALA A 64 -17.185 -19.859 27.025 1.00 9.80 C ATOM 610 C ALA A 64 -16.685 -19.749 25.586 1.00 11.84 C ATOM 611 O ALA A 64 -16.952 -20.605 24.725 1.00 9.88 O ATOM 612 CB ALA A 64 -16.251 -20.771 27.820 1.00 9.23 C ATOM 613 H ALA A 64 -18.758 -21.282 27.492 1.00 0.00 H ATOM 614 N CYS A 65 -15.960 -18.668 25.322 1.00 11.57 N ATOM 615 CA CYS A 65 -15.256 -18.478 24.063 1.00 10.19 C ATOM 616 C CYS A 65 -14.005 -19.337 24.015 1.00 8.18 C ATOM 617 O CYS A 65 -13.429 -19.666 25.054 1.00 15.01 O ATOM 618 CB CYS A 65 -14.826 -17.024 23.896 1.00 12.88 C ATOM 619 SG CYS A 65 -16.152 -15.815 23.958 1.00 13.95 S ATOM 620 H CYS A 65 -15.893 -17.925 26.047 1.00 0.00 H ATOM 621 N LYS A 66 -13.586 -19.683 22.797 1.00 10.47 N ATOM 622 CA LYS A 66 -12.369 -20.475 22.628 1.00 10.94 C ATOM 623 C LYS A 66 -11.166 -19.829 23.309 1.00 15.48 C ATOM 624 O LYS A 66 -10.284 -20.544 23.813 1.00 15.59 O ATOM 625 CB LYS A 66 -12.077 -20.685 21.147 1.00 12.49 C ATOM 626 CG LYS A 66 -12.930 -21.742 20.445 1.00 12.95 C ATOM 627 CD LYS A 66 -12.691 -21.742 18.927 1.00 17.02 C ATOM 628 CE LYS A 66 -13.542 -22.802 18.224 1.00 25.03 C ATOM 629 NZ LYS A 66 -13.569 -22.636 16.737 1.00 36.78 N ATOM 630 HZ1 LYS A 66 -13.965 -21.704 16.501 1.00 0.00 H ATOM 631 HZ2 LYS A 66 -12.601 -22.708 16.364 1.00 0.00 H ATOM 632 HZ3 LYS A 66 -14.160 -23.381 16.317 1.00 0.00 H ATOM 633 H LYS A 66 -14.129 -19.387 21.961 1.00 0.00 H ATOM 634 N ASN A 67 -11.115 -18.492 23.353 1.00 17.06 N ATOM 635 CA ASN A 67 -10.009 -17.786 23.990 1.00 18.75 C ATOM 636 C ASN A 67 -10.157 -17.657 25.502 1.00 17.58 C ATOM 637 O ASN A 67 -9.296 -17.039 26.142 1.00 21.13 O ATOM 638 CB ASN A 67 -9.844 -16.381 23.369 1.00 19.00 C ATOM 639 CG ASN A 67 -11.005 -15.429 23.702 1.00 15.16 C ATOM 640 OD1 ASN A 67 -11.932 -15.763 24.425 1.00 16.41 O ATOM 641 ND2 ASN A 67 -10.928 -14.202 23.170 1.00 20.10 N ATOM 642 HD22 ASN A 67 -10.125 -13.950 22.559 1.00 0.00 H ATOM 643 HD21 ASN A 67 -11.671 -13.502 23.368 1.00 0.00 H ATOM 644 H ASN A 67 -11.885 -17.942 22.921 1.00 0.00 H ATOM 645 N GLY A 68 -11.212 -18.203 26.099 1.00 13.76 N ATOM 646 CA GLY A 68 -11.411 -18.120 27.525 1.00 16.36 C ATOM 647 C GLY A 68 -12.253 -16.956 27.997 1.00 12.50 C ATOM 648 O GLY A 68 -12.627 -16.918 29.171 1.00 16.34 O ATOM 649 H GLY A 68 -11.915 -18.705 25.520 1.00 0.00 H ATOM 650 N GLN A 69 -12.560 -16.003 27.125 1.00 16.28 N ATOM 651 CA GLN A 69 -13.494 -14.952 27.486 1.00 15.99 C ATOM 652 C GLN A 69 -14.894 -15.544 27.651 1.00 17.61 C ATOM 653 O GLN A 69 -15.202 -16.626 27.150 1.00 16.69 O ATOM 654 CB GLN A 69 -13.475 -13.841 26.431 1.00 15.63 C ATOM 655 CG GLN A 69 -12.095 -13.172 26.287 1.00 17.49 C ATOM 656 CD GLN A 69 -12.055 -12.054 25.251 1.00 17.94 C ATOM 657 OE1 GLN A 69 -11.706 -12.271 24.092 1.00 20.56 O ATOM 658 NE2 GLN A 69 -12.390 -10.843 25.680 1.00 20.46 N ATOM 659 HE22 GLN A 69 -12.680 -10.703 26.669 1.00 0.00 H ATOM 660 HE21 GLN A 69 -12.363 -10.034 25.027 1.00 0.00 H ATOM 661 H GLN A 69 -12.129 -16.010 26.178 1.00 0.00 H ATOM 662 N THR A 70 -15.742 -14.826 28.377 1.00 12.50 N ATOM 663 CA THR A 70 -17.051 -15.331 28.764 1.00 13.57 C ATOM 664 C THR A 70 -18.196 -14.750 27.946 1.00 12.99 C ATOM 665 O THR A 70 -19.360 -15.024 28.255 1.00 17.04 O ATOM 666 CB THR A 70 -17.314 -15.059 30.249 1.00 17.95 C ATOM 667 OG1 THR A 70 -17.364 -13.646 30.479 1.00 21.37 O ATOM 668 CG2 THR A 70 -16.213 -15.658 31.103 1.00 21.49 C ATOM 669 HG1 THR A 70 -17.534 -13.475 31.439 1.00 0.00 H ATOM 670 H THR A 70 -15.462 -13.871 28.679 1.00 0.00 H ATOM 671 N ASN A 71 -17.905 -13.956 26.922 1.00 12.97 N ATOM 672 CA ASN A 71 -18.952 -13.234 26.200 1.00 8.55 C ATOM 673 C ASN A 71 -19.336 -13.912 24.894 1.00 11.92 C ATOM 674 O ASN A 71 -19.559 -13.241 23.882 1.00 10.62 O ATOM 675 CB ASN A 71 -18.523 -11.792 25.949 1.00 10.01 C ATOM 676 CG ASN A 71 -17.281 -11.672 25.069 1.00 9.72 C ATOM 677 OD1 ASN A 71 -16.258 -12.335 25.298 1.00 14.33 O ATOM 678 ND2 ASN A 71 -17.346 -10.791 24.082 1.00 10.09 N ATOM 679 HD22 ASN A 71 -18.222 -10.254 23.921 1.00 0.00 H ATOM 680 HD21 ASN A 71 -16.521 -10.636 23.468 1.00 0.00 H ATOM 681 H ASN A 71 -16.914 -13.846 26.628 1.00 0.00 H ATOM 682 N CYS A 72 -19.426 -15.237 24.881 1.00 10.16 N ATOM 683 CA CYS A 72 -19.840 -15.960 23.689 1.00 7.44 C ATOM 684 C CYS A 72 -21.226 -16.555 23.885 1.00 8.18 C ATOM 685 O CYS A 72 -21.658 -16.842 25.010 1.00 9.45 O ATOM 686 CB CYS A 72 -18.834 -17.056 23.322 1.00 9.50 C ATOM 687 SG CYS A 72 -17.420 -16.356 22.455 1.00 10.76 S ATOM 688 H CYS A 72 -19.195 -15.770 25.744 1.00 0.00 H ATOM 689 N TYR A 73 -21.947 -16.681 22.776 1.00 8.44 N ATOM 690 CA TYR A 73 -23.346 -17.066 22.827 1.00 8.51 C ATOM 691 C TYR A 73 -23.607 -18.061 21.720 1.00 7.11 C ATOM 692 O TYR A 73 -23.179 -17.852 20.578 1.00 9.33 O ATOM 693 CB TYR A 73 -24.259 -15.837 22.687 1.00 9.75 C ATOM 694 CG TYR A 73 -24.011 -14.888 23.827 1.00 8.21 C ATOM 695 CD1 TYR A 73 -22.975 -13.959 23.766 1.00 9.07 C ATOM 696 CD2 TYR A 73 -24.736 -14.989 25.010 1.00 10.62 C ATOM 697 CE1 TYR A 73 -22.699 -13.125 24.822 1.00 9.94 C ATOM 698 CE2 TYR A 73 -24.464 -14.147 26.084 1.00 11.27 C ATOM 699 CZ TYR A 73 -23.448 -13.215 25.974 1.00 13.42 C ATOM 700 OH TYR A 73 -23.135 -12.370 27.022 1.00 14.05 O ATOM 701 HH TYR A 73 -22.387 -11.779 26.756 1.00 0.00 H ATOM 702 H TYR A 73 -21.501 -16.500 21.854 1.00 0.00 H ATOM 703 N GLN A 74 -24.302 -19.136 22.079 1.00 9.46 N ATOM 704 CA GLN A 74 -24.644 -20.210 21.162 1.00 8.75 C ATOM 705 C GLN A 74 -26.112 -20.108 20.787 1.00 8.99 C ATOM 706 O GLN A 74 -26.975 -19.915 21.652 1.00 10.52 O ATOM 707 CB GLN A 74 -24.343 -21.566 21.798 1.00 9.50 C ATOM 708 CG GLN A 74 -24.607 -22.752 20.891 1.00 9.57 C ATOM 709 CD GLN A 74 -24.087 -24.025 21.515 1.00 15.70 C ATOM 710 OE1 GLN A 74 -22.970 -24.068 22.020 1.00 17.47 O ATOM 711 NE2 GLN A 74 -24.900 -25.057 21.505 1.00 15.24 N ATOM 712 HE22 GLN A 74 -25.839 -24.975 21.065 1.00 0.00 H ATOM 713 HE21 GLN A 74 -24.605 -25.956 21.937 1.00 0.00 H ATOM 714 H GLN A 74 -24.617 -19.212 23.067 1.00 0.00 H ATOM 715 N SER A 75 -26.389 -20.199 19.496 1.00 9.27 N ATOM 716 CA SER A 75 -27.765 -20.092 19.035 1.00 10.20 C ATOM 717 C SER A 75 -28.584 -21.288 19.512 1.00 12.23 C ATOM 718 O SER A 75 -28.106 -22.424 19.536 1.00 11.99 O ATOM 719 CB SER A 75 -27.799 -19.974 17.507 1.00 11.75 C ATOM 720 OG SER A 75 -27.304 -21.134 16.856 1.00 11.34 O ATOM 721 HG SER A 75 -27.855 -21.915 17.112 1.00 0.00 H ATOM 722 H SER A 75 -25.622 -20.347 18.810 1.00 0.00 H ATOM 723 N TYR A 76 -29.825 -21.013 19.937 1.00 11.79 N ATOM 724 CA TYR A 76 -30.714 -22.092 20.367 1.00 12.15 C ATOM 725 C TYR A 76 -31.127 -22.960 19.191 1.00 13.37 C ATOM 726 O TYR A 76 -31.268 -24.180 19.328 1.00 15.54 O ATOM 727 CB TYR A 76 -31.956 -21.513 21.048 1.00 12.23 C ATOM 728 CG TYR A 76 -31.681 -20.953 22.410 1.00 14.44 C ATOM 729 CD1 TYR A 76 -30.973 -21.693 23.354 1.00 14.52 C ATOM 730 CD2 TYR A 76 -32.082 -19.674 22.742 1.00 15.69 C ATOM 731 CE1 TYR A 76 -30.704 -21.185 24.603 1.00 15.40 C ATOM 732 CE2 TYR A 76 -31.806 -19.151 24.009 1.00 13.85 C ATOM 733 CZ TYR A 76 -31.117 -19.913 24.919 1.00 12.83 C ATOM 734 OH TYR A 76 -30.829 -19.408 26.174 1.00 16.82 O ATOM 735 HH TYR A 76 -30.277 -18.591 26.081 1.00 0.00 H ATOM 736 H TYR A 76 -30.157 -20.028 19.961 1.00 0.00 H ATOM 737 N SER A 77 -31.328 -22.350 18.031 1.00 15.50 N ATOM 738 CA SER A 77 -31.676 -23.087 16.827 1.00 15.97 C ATOM 739 C SER A 77 -30.448 -23.292 15.956 1.00 17.68 C ATOM 740 O SER A 77 -29.478 -22.531 16.032 1.00 14.63 O ATOM 741 CB SER A 77 -32.759 -22.349 16.040 1.00 21.94 C ATOM 742 OG SER A 77 -33.979 -22.365 16.764 1.00 26.60 O ATOM 743 HG SER A 77 -34.263 -23.302 16.910 1.00 0.00 H ATOM 744 H SER A 77 -31.234 -21.315 17.981 1.00 0.00 H ATOM 745 N THR A 78 -30.478 -24.346 15.145 1.00 16.39 N ATOM 746 CA THR A 78 -29.479 -24.433 14.095 1.00 16.55 C ATOM 747 C THR A 78 -29.719 -23.320 13.089 1.00 14.63 C ATOM 748 O THR A 78 -30.838 -22.819 12.917 1.00 15.34 O ATOM 749 CB THR A 78 -29.503 -25.786 13.377 1.00 16.93 C ATOM 750 OG1 THR A 78 -30.765 -25.957 12.722 1.00 20.60 O ATOM 751 CG2 THR A 78 -29.272 -26.931 14.364 1.00 21.18 C ATOM 752 HG1 THR A 78 -30.894 -25.230 12.062 1.00 0.00 H ATOM 753 H THR A 78 -31.198 -25.088 15.260 1.00 0.00 H ATOM 754 N MET A 79 -28.640 -22.918 12.438 1.00 13.53 N ATOM 755 CA MET A 79 -28.691 -21.896 11.416 1.00 13.85 C ATOM 756 C MET A 79 -28.002 -22.421 10.175 1.00 14.06 C ATOM 757 O MET A 79 -27.103 -23.259 10.251 1.00 15.09 O ATOM 758 CB MET A 79 -28.024 -20.606 11.897 1.00 13.89 C ATOM 759 CG MET A 79 -28.777 -19.951 13.029 1.00 12.87 C ATOM 760 SD MET A 79 -28.033 -18.369 13.416 1.00 15.28 S ATOM 761 CE MET A 79 -29.321 -17.667 14.416 1.00 16.90 C ATOM 762 H MET A 79 -27.723 -23.352 12.669 1.00 0.00 H ATOM 763 N SER A 80 -28.457 -21.951 9.024 1.00 15.72 N ATOM 764 CA SER A 80 -27.788 -22.312 7.787 1.00 16.76 C ATOM 765 C SER A 80 -26.487 -21.530 7.671 1.00 15.04 C ATOM 766 O SER A 80 -26.482 -20.301 7.783 1.00 17.87 O ATOM 767 CB SER A 80 -28.694 -22.021 6.595 1.00 21.64 C ATOM 768 OG SER A 80 -27.972 -22.176 5.393 1.00 18.49 O ATOM 769 HG SER A 80 -28.567 -21.985 4.625 1.00 0.00 H ATOM 770 H SER A 80 -29.289 -21.327 9.006 1.00 0.00 H ATOM 771 N ILE A 81 -25.381 -22.245 7.470 1.00 14.04 N ATOM 772 CA ILE A 81 -24.066 -21.622 7.389 1.00 15.87 C ATOM 773 C ILE A 81 -23.268 -22.238 6.256 1.00 22.54 C ATOM 774 O ILE A 81 -23.545 -23.344 5.783 1.00 22.73 O ATOM 775 CB ILE A 81 -23.240 -21.748 8.688 1.00 15.66 C ATOM 776 CG1 ILE A 81 -22.893 -23.213 8.960 1.00 13.74 C ATOM 777 CG2 ILE A 81 -23.967 -21.079 9.857 1.00 14.85 C ATOM 778 CD1 ILE A 81 -21.871 -23.408 10.055 1.00 18.22 C ATOM 779 H ILE A 81 -25.458 -23.277 7.368 1.00 0.00 H ATOM 780 N THR A 82 -22.232 -21.510 5.859 1.00 17.24 N ATOM 781 CA THR A 82 -21.262 -21.986 4.890 1.00 17.16 C ATOM 782 C THR A 82 -19.875 -21.779 5.466 1.00 15.98 C ATOM 783 O THR A 82 -19.498 -20.643 5.778 1.00 14.94 O ATOM 784 CB THR A 82 -21.406 -21.250 3.565 1.00 17.41 C ATOM 785 OG1 THR A 82 -22.712 -21.485 3.028 1.00 20.42 O ATOM 786 CG2 THR A 82 -20.356 -21.747 2.596 1.00 22.40 C ATOM 787 HG1 THR A 82 -23.394 -21.155 3.665 1.00 0.00 H ATOM 788 H THR A 82 -22.110 -20.558 6.259 1.00 0.00 H ATOM 789 N ASP A 83 -19.134 -22.870 5.640 1.00 15.30 N ATOM 790 CA ASP A 83 -17.729 -22.805 6.015 1.00 18.14 C ATOM 791 C ASP A 83 -16.895 -22.697 4.747 1.00 20.24 C ATOM 792 O ASP A 83 -17.134 -23.426 3.781 1.00 18.77 O ATOM 793 CB ASP A 83 -17.297 -24.040 6.802 1.00 20.96 C ATOM 794 CG ASP A 83 -17.813 -24.042 8.226 1.00 28.03 C ATOM 795 OD1 ASP A 83 -18.013 -22.951 8.799 1.00 24.63 O ATOM 796 OD2 ASP A 83 -18.015 -25.149 8.767 1.00 31.17 O ATOM 797 H ASP A 83 -19.574 -23.802 5.503 1.00 0.00 H ATOM 798 N CYS A 84 -15.932 -21.778 4.751 1.00 19.36 N ATOM 799 CA CYS A 84 -14.952 -21.646 3.683 1.00 17.48 C ATOM 800 C CYS A 84 -13.587 -21.998 4.248 1.00 21.15 C ATOM 801 O CYS A 84 -13.154 -21.402 5.241 1.00 20.35 O ATOM 802 CB CYS A 84 -14.950 -20.230 3.116 1.00 19.13 C ATOM 803 SG CYS A 84 -16.532 -19.680 2.524 1.00 17.86 S ATOM 804 H CYS A 84 -15.877 -21.122 5.556 1.00 0.00 H ATOM 805 N ARG A 85 -12.916 -22.968 3.623 1.00 23.62 N ATOM 806 CA ARG A 85 -11.634 -23.468 4.095 1.00 27.15 C ATOM 807 C ARG A 85 -10.626 -23.444 2.956 1.00 26.63 C ATOM 808 O ARG A 85 -10.901 -23.970 1.872 1.00 30.27 O ATOM 809 CB ARG A 85 -11.771 -24.891 4.648 1.00 32.14 C ATOM 810 CG ARG A 85 -11.459 -25.009 6.133 1.00 41.28 C ATOM 811 CD ARG A 85 -12.032 -26.289 6.725 1.00 45.67 C ATOM 812 NE ARG A 85 -13.291 -26.058 7.430 1.00 48.07 N ATOM 813 CZ ARG A 85 -13.375 -25.569 8.664 1.00 47.03 C ATOM 814 NH1 ARG A 85 -12.269 -25.262 9.328 1.00 44.67 N ATOM 815 NH2 ARG A 85 -14.562 -25.393 9.236 1.00 47.43 N ATOM 816 HE ARG A 85 -14.176 -26.290 6.936 1.00 0.00 H ATOM 817 HH12 ARG A 85 -12.331 -24.879 10.293 1.00 0.00 H ATOM 818 HH11 ARG A 85 -11.339 -25.404 8.884 1.00 0.00 H ATOM 819 HH22 ARG A 85 -14.623 -25.010 10.201 1.00 0.00 H ATOM 820 HH21 ARG A 85 -15.430 -25.638 8.718 1.00 0.00 H ATOM 821 H ARG A 85 -13.327 -23.384 2.763 1.00 0.00 H ATOM 822 N GLU A 86 -9.468 -22.835 3.207 1.00 26.92 N ATOM 823 CA GLU A 86 -8.450 -22.689 2.171 1.00 28.99 C ATOM 824 C GLU A 86 -7.903 -24.057 1.772 1.00 30.71 C ATOM 825 O GLU A 86 -7.601 -24.891 2.630 1.00 33.93 O ATOM 826 CB GLU A 86 -7.323 -21.786 2.671 1.00 31.20 C ATOM 827 CG GLU A 86 -6.292 -21.432 1.610 1.00 35.67 C ATOM 828 CD GLU A 86 -5.111 -20.650 2.152 1.00 32.24 C ATOM 829 OE1 GLU A 86 -4.407 -20.022 1.340 1.00 30.39 O ATOM 830 OE2 GLU A 86 -4.878 -20.664 3.379 1.00 37.63 O ATOM 831 H GLU A 86 -9.286 -22.457 4.158 1.00 0.00 H ATOM 832 N THR A 87 -7.787 -24.291 0.467 1.00 29.78 N ATOM 833 CA THR A 87 -7.291 -25.566 -0.039 1.00 33.86 C ATOM 834 C THR A 87 -5.762 -25.588 -0.005 1.00 38.57 C ATOM 835 O THR A 87 -5.108 -24.675 0.508 1.00 35.01 O ATOM 836 CB THR A 87 -7.812 -25.813 -1.450 1.00 34.53 C ATOM 837 OG1 THR A 87 -7.254 -24.832 -2.335 1.00 35.89 O ATOM 838 CG2 THR A 87 -9.329 -25.732 -1.485 1.00 34.59 C ATOM 839 HG1 THR A 87 -7.590 -24.989 -3.253 1.00 0.00 H ATOM 840 H THR A 87 -8.056 -23.547 -0.208 1.00 0.00 H ATOM 841 N GLY A 88 -5.174 -26.648 -0.552 1.00 48.51 N ATOM 842 CA GLY A 88 -3.734 -26.726 -0.702 1.00 42.67 C ATOM 843 C GLY A 88 -3.277 -26.056 -1.980 1.00 42.71 C ATOM 844 O GLY A 88 -2.205 -25.445 -2.024 1.00 51.34 O ATOM 845 H GLY A 88 -5.762 -27.441 -0.880 1.00 0.00 H ATOM 846 N SER A 89 -4.101 -26.159 -3.028 1.00 44.30 N ATOM 847 CA SER A 89 -3.833 -25.465 -4.283 1.00 44.62 C ATOM 848 C SER A 89 -3.711 -23.959 -4.103 1.00 42.89 C ATOM 849 O SER A 89 -3.170 -23.281 -4.983 1.00 45.66 O ATOM 850 CB SER A 89 -4.955 -25.757 -5.284 1.00 51.18 C ATOM 851 OG SER A 89 -6.215 -25.394 -4.743 1.00 51.84 O ATOM 852 HG SER A 89 -6.380 -25.913 -3.916 1.00 0.00 H ATOM 853 H SER A 89 -4.954 -26.748 -2.946 1.00 0.00 H ATOM 854 N SER A 90 -4.195 -23.427 -2.985 1.00 41.48 N ATOM 855 CA SER A 90 -4.368 -21.991 -2.811 1.00 36.74 C ATOM 856 C SER A 90 -3.033 -21.314 -2.519 1.00 31.41 C ATOM 857 O SER A 90 -2.351 -21.660 -1.550 1.00 35.69 O ATOM 858 CB SER A 90 -5.367 -21.735 -1.686 1.00 32.52 C ATOM 859 OG SER A 90 -5.448 -20.360 -1.357 1.00 29.44 O ATOM 860 HG SER A 90 -4.559 -20.039 -1.063 1.00 0.00 H ATOM 861 H SER A 90 -4.460 -24.061 -2.204 1.00 0.00 H ATOM 862 N LYS A 91 -2.662 -20.351 -3.360 1.00 32.66 N ATOM 863 CA LYS A 91 -1.514 -19.484 -3.113 1.00 27.85 C ATOM 864 C LYS A 91 -1.947 -18.045 -3.340 1.00 24.38 C ATOM 865 O LYS A 91 -2.417 -17.701 -4.430 1.00 26.80 O ATOM 866 CB LYS A 91 -0.325 -19.834 -4.017 1.00 35.55 C ATOM 867 CG LYS A 91 0.182 -21.263 -3.873 1.00 31.11 C ATOM 868 CD LYS A 91 0.862 -21.481 -2.530 1.00 43.10 C ATOM 869 CE LYS A 91 1.500 -22.864 -2.453 1.00 40.61 C ATOM 870 NZ LYS A 91 2.068 -23.135 -1.099 1.00 38.34 N ATOM 871 HZ1 LYS A 91 2.796 -22.425 -0.881 1.00 0.00 H ATOM 872 HZ2 LYS A 91 1.309 -23.084 -0.390 1.00 0.00 H ATOM 873 HZ3 LYS A 91 2.493 -24.084 -1.086 1.00 0.00 H ATOM 874 H LYS A 91 -3.214 -20.210 -4.230 1.00 0.00 H ATOM 875 N TYR A 92 -1.814 -17.227 -2.308 1.00 23.42 N ATOM 876 CA TYR A 92 -2.098 -15.805 -2.412 1.00 25.73 C ATOM 877 C TYR A 92 -1.377 -15.222 -3.630 1.00 23.66 C ATOM 878 O TYR A 92 -0.223 -15.586 -3.898 1.00 25.95 O ATOM 879 CB TYR A 92 -1.646 -15.104 -1.122 1.00 23.79 C ATOM 880 CG TYR A 92 -1.806 -13.603 -1.106 1.00 27.99 C ATOM 881 CD1 TYR A 92 -0.784 -12.766 -1.537 1.00 24.97 C ATOM 882 CD2 TYR A 92 -2.979 -13.017 -0.637 1.00 26.41 C ATOM 883 CE1 TYR A 92 -0.932 -11.393 -1.516 1.00 31.23 C ATOM 884 CE2 TYR A 92 -3.135 -11.646 -0.620 1.00 27.75 C ATOM 885 CZ TYR A 92 -2.108 -10.840 -1.056 1.00 35.69 C ATOM 886 OH TYR A 92 -2.261 -9.476 -1.033 1.00 27.12 O ATOM 887 HH TYR A 92 -3.029 -9.222 -1.603 1.00 0.00 H ATOM 888 H TYR A 92 -1.497 -17.613 -1.396 1.00 0.00 H ATOM 889 N PRO A 93 -2.008 -14.302 -4.382 1.00 24.38 N ATOM 890 CA PRO A 93 -3.341 -13.755 -4.109 1.00 27.55 C ATOM 891 C PRO A 93 -4.469 -14.520 -4.778 1.00 28.06 C ATOM 892 O PRO A 93 -5.586 -14.010 -4.850 1.00 31.51 O ATOM 893 CB PRO A 93 -3.249 -12.346 -4.681 1.00 27.39 C ATOM 894 CG PRO A 93 -2.364 -12.509 -5.843 1.00 33.27 C ATOM 895 CD PRO A 93 -1.321 -13.529 -5.431 1.00 26.84 C ATOM 896 N ASN A 94 -4.178 -15.722 -5.272 1.00 22.63 N ATOM 897 CA ASN A 94 -5.194 -16.570 -5.895 1.00 29.16 C ATOM 898 C ASN A 94 -5.712 -17.570 -4.861 1.00 28.71 C ATOM 899 O ASN A 94 -5.466 -18.775 -4.913 1.00 28.76 O ATOM 900 CB ASN A 94 -4.627 -17.263 -7.126 1.00 29.06 C ATOM 901 CG ASN A 94 -4.387 -16.304 -8.267 1.00 34.45 C ATOM 902 OD1 ASN A 94 -5.311 -15.657 -8.752 1.00 41.71 O ATOM 903 ND2 ASN A 94 -3.135 -16.190 -8.687 1.00 36.46 N ATOM 904 HD22 ASN A 94 -2.385 -16.759 -8.246 1.00 0.00 H ATOM 905 HD21 ASN A 94 -2.903 -15.532 -9.458 1.00 0.00 H ATOM 906 H ASN A 94 -3.199 -16.068 -5.213 1.00 0.00 H ATOM 907 N CYS A 95 -6.449 -17.033 -3.900 1.00 25.51 N ATOM 908 CA CYS A 95 -6.911 -17.831 -2.778 1.00 25.33 C ATOM 909 C CYS A 95 -8.060 -18.732 -3.206 1.00 19.65 C ATOM 910 O CYS A 95 -9.045 -18.266 -3.787 1.00 25.11 O ATOM 911 CB CYS A 95 -7.338 -16.918 -1.634 1.00 23.69 C ATOM 912 SG CYS A 95 -6.032 -15.772 -1.147 1.00 24.91 S ATOM 913 H CYS A 95 -6.700 -16.025 -3.950 1.00 0.00 H ATOM 914 N ALA A 96 -7.935 -20.021 -2.902 1.00 23.96 N ATOM 915 CA ALA A 96 -8.920 -21.026 -3.277 1.00 24.52 C ATOM 916 C ALA A 96 -9.506 -21.660 -2.026 1.00 21.50 C ATOM 917 O ALA A 96 -8.780 -21.964 -1.077 1.00 26.31 O ATOM 918 CB ALA A 96 -8.306 -22.116 -4.171 1.00 27.38 C ATOM 919 H ALA A 96 -7.094 -20.325 -2.371 1.00 0.00 H ATOM 920 N TYR A 97 -10.821 -21.875 -2.047 1.00 23.48 N ATOM 921 CA TYR A 97 -11.561 -22.380 -0.903 1.00 25.28 C ATOM 922 C TYR A 97 -12.507 -23.493 -1.321 1.00 22.67 C ATOM 923 O TYR A 97 -13.061 -23.480 -2.421 1.00 26.53 O ATOM 924 CB TYR A 97 -12.382 -21.277 -0.241 1.00 20.26 C ATOM 925 CG TYR A 97 -11.520 -20.197 0.341 1.00 19.09 C ATOM 926 CD1 TYR A 97 -11.084 -19.139 -0.437 1.00 20.02 C ATOM 927 CD2 TYR A 97 -11.113 -20.256 1.667 1.00 20.06 C ATOM 928 CE1 TYR A 97 -10.271 -18.156 0.090 1.00 17.53 C ATOM 929 CE2 TYR A 97 -10.303 -19.280 2.199 1.00 20.79 C ATOM 930 CZ TYR A 97 -9.885 -18.233 1.402 1.00 19.95 C ATOM 931 OH TYR A 97 -9.080 -17.249 1.932 1.00 20.13 O ATOM 932 HH TYR A 97 -9.551 -16.808 2.683 1.00 0.00 H ATOM 933 H TYR A 97 -11.342 -21.672 -2.924 1.00 0.00 H ATOM 934 N LYS A 98 -12.718 -24.433 -0.405 1.00 27.68 N ATOM 935 CA LYS A 98 -13.819 -25.378 -0.517 1.00 26.98 C ATOM 936 C LYS A 98 -15.043 -24.828 0.211 1.00 25.97 C ATOM 937 O LYS A 98 -14.930 -24.276 1.311 1.00 30.55 O ATOM 938 CB LYS A 98 -13.428 -26.739 0.061 1.00 27.76 C ATOM 939 CG LYS A 98 -14.606 -27.671 0.316 1.00 33.30 C ATOM 940 CD LYS A 98 -15.336 -28.032 -0.982 1.00 35.94 C ATOM 941 CE LYS A 98 -16.538 -28.927 -0.711 1.00 40.51 C ATOM 942 NZ LYS A 98 -17.802 -28.333 -1.225 1.00 29.81 N ATOM 943 HZ1 LYS A 98 -17.967 -27.417 -0.761 1.00 0.00 H ATOM 944 HZ2 LYS A 98 -17.725 -28.193 -2.253 1.00 0.00 H ATOM 945 HZ3 LYS A 98 -18.594 -28.975 -1.019 1.00 0.00 H ATOM 946 H LYS A 98 -12.079 -24.495 0.413 1.00 0.00 H ATOM 947 N THR A 99 -16.211 -24.974 -0.418 1.00 29.60 N ATOM 948 CA THR A 99 -17.473 -24.450 0.093 1.00 27.32 C ATOM 949 C THR A 99 -18.270 -25.579 0.742 1.00 35.16 C ATOM 950 O THR A 99 -18.796 -26.454 0.045 1.00 30.28 O ATOM 951 CB THR A 99 -18.276 -23.806 -1.034 1.00 27.04 C ATOM 952 OG1 THR A 99 -17.566 -22.678 -1.555 1.00 28.64 O ATOM 953 CG2 THR A 99 -19.621 -23.358 -0.534 1.00 22.46 C ATOM 954 HG1 THR A 99 -16.689 -22.975 -1.906 1.00 0.00 H ATOM 955 H THR A 99 -16.222 -25.489 -1.321 1.00 0.00 H ATOM 956 N THR A 100 -18.369 -25.554 2.071 1.00 29.71 N ATOM 957 CA THR A 100 -19.129 -26.544 2.823 1.00 33.69 C ATOM 958 C THR A 100 -20.390 -25.907 3.388 1.00 31.01 C ATOM 959 O THR A 100 -20.324 -24.890 4.085 1.00 30.71 O ATOM 960 CB THR A 100 -18.298 -27.145 3.957 1.00 35.12 C ATOM 961 OG1 THR A 100 -17.018 -27.551 3.454 1.00 45.23 O ATOM 962 CG2 THR A 100 -19.009 -28.353 4.563 1.00 39.56 C ATOM 963 HG1 THR A 100 -16.546 -26.764 3.082 1.00 0.00 H ATOM 964 H THR A 100 -17.884 -24.797 2.593 1.00 0.00 H ATOM 965 N GLN A 101 -21.529 -26.511 3.091 1.00 27.69 N ATOM 966 CA GLN A 101 -22.810 -26.082 3.617 1.00 30.42 C ATOM 967 C GLN A 101 -23.183 -26.963 4.804 1.00 24.31 C ATOM 968 O GLN A 101 -22.938 -28.172 4.791 1.00 25.26 O ATOM 969 CB GLN A 101 -23.885 -26.159 2.531 1.00 32.71 C ATOM 970 CG GLN A 101 -25.267 -25.800 3.000 1.00 33.96 C ATOM 971 CD GLN A 101 -25.332 -24.394 3.537 1.00 28.90 C ATOM 972 OE1 GLN A 101 -24.590 -23.511 3.096 1.00 29.46 O ATOM 973 NE2 GLN A 101 -26.221 -24.172 4.497 1.00 23.56 N ATOM 974 HE22 GLN A 101 -26.825 -24.948 4.836 1.00 0.00 H ATOM 975 HE21 GLN A 101 -26.314 -23.222 4.910 1.00 0.00 H ATOM 976 H GLN A 101 -21.504 -27.331 2.451 1.00 0.00 H ATOM 977 N ALA A 102 -23.756 -26.354 5.837 1.00 21.08 N ATOM 978 CA ALA A 102 -24.203 -27.123 6.990 1.00 23.45 C ATOM 979 C ALA A 102 -25.276 -26.339 7.726 1.00 18.12 C ATOM 980 O ALA A 102 -25.431 -25.129 7.538 1.00 19.53 O ATOM 981 CB ALA A 102 -23.038 -27.461 7.926 1.00 24.82 C ATOM 982 H ALA A 102 -23.886 -25.322 5.822 1.00 0.00 H ATOM 983 N ASN A 103 -26.032 -27.055 8.558 1.00 18.90 N ATOM 984 CA ASN A 103 -26.987 -26.458 9.487 1.00 14.42 C ATOM 985 C ASN A 103 -26.513 -26.789 10.893 1.00 17.70 C ATOM 986 O ASN A 103 -26.564 -27.948 11.318 1.00 19.74 O ATOM 987 CB ASN A 103 -28.405 -26.971 9.245 1.00 18.31 C ATOM 988 CG ASN A 103 -28.962 -26.504 7.928 1.00 24.34 C ATOM 989 OD1 ASN A 103 -29.545 -25.426 7.840 1.00 25.05 O ATOM 990 ND2 ASN A 103 -28.780 -27.308 6.890 1.00 33.52 N ATOM 991 HD22 ASN A 103 -28.280 -28.212 7.013 1.00 0.00 H ATOM 992 HD21 ASN A 103 -29.137 -27.035 5.952 1.00 0.00 H ATOM 993 H ASN A 103 -25.937 -28.091 8.545 1.00 0.00 H ATOM 994 N LYS A 104 -26.027 -25.773 11.600 1.00 16.49 N ATOM 995 CA LYS A 104 -25.395 -25.974 12.889 1.00 15.99 C ATOM 996 C LYS A 104 -25.722 -24.796 13.781 1.00 13.18 C ATOM 997 O LYS A 104 -26.138 -23.734 13.318 1.00 13.31 O ATOM 998 CB LYS A 104 -23.873 -26.125 12.770 1.00 16.39 C ATOM 999 CG LYS A 104 -23.437 -27.378 12.006 1.00 21.08 C ATOM 1000 CD LYS A 104 -21.941 -27.407 11.748 1.00 23.28 C ATOM 1001 CE LYS A 104 -21.160 -27.736 13.008 1.00 22.86 C ATOM 1002 NZ LYS A 104 -19.694 -27.701 12.741 1.00 37.18 N ATOM 1003 HZ1 LYS A 104 -19.460 -28.399 12.007 1.00 0.00 H ATOM 1004 HZ2 LYS A 104 -19.425 -26.751 12.416 1.00 0.00 H ATOM 1005 HZ3 LYS A 104 -19.178 -27.929 13.615 1.00 0.00 H ATOM 1006 H LYS A 104 -26.102 -24.809 11.218 1.00 0.00 H ATOM 1007 N HIS A 105 -25.508 -24.989 15.073 1.00 13.17 N ATOM 1008 CA HIS A 105 -25.630 -23.882 16.005 1.00 11.79 C ATOM 1009 C HIS A 105 -24.386 -23.026 15.890 1.00 14.59 C ATOM 1010 O HIS A 105 -23.277 -23.558 15.819 1.00 15.89 O ATOM 1011 CB HIS A 105 -25.791 -24.388 17.434 1.00 14.17 C ATOM 1012 CG HIS A 105 -26.953 -25.312 17.609 1.00 15.44 C ATOM 1013 ND1 HIS A 105 -28.179 -24.881 18.066 1.00 16.05 N ATOM 1014 CD2 HIS A 105 -27.085 -26.636 17.358 1.00 17.49 C ATOM 1015 CE1 HIS A 105 -29.015 -25.905 18.106 1.00 16.82 C ATOM 1016 NE2 HIS A 105 -28.376 -26.981 17.686 1.00 19.99 N ATOM 1017 H HIS A 105 -25.252 -25.935 15.421 1.00 0.00 H ATOM 1018 N ILE A 106 -24.559 -21.712 15.854 1.00 11.34 N ATOM 1019 CA ILE A 106 -23.390 -20.839 15.784 1.00 9.80 C ATOM 1020 C ILE A 106 -23.050 -20.344 17.178 1.00 10.23 C ATOM 1021 O ILE A 106 -23.904 -20.274 18.068 1.00 10.18 O ATOM 1022 CB ILE A 106 -23.586 -19.651 14.815 1.00 11.17 C ATOM 1023 CG1 ILE A 106 -24.673 -18.686 15.299 1.00 11.61 C ATOM 1024 CG2 ILE A 106 -23.855 -20.163 13.414 1.00 16.39 C ATOM 1025 CD1 ILE A 106 -24.683 -17.358 14.557 1.00 14.37 C ATOM 1026 H ILE A 106 -25.517 -21.307 15.875 1.00 0.00 H ATOM 1027 N ILE A 107 -21.780 -19.992 17.364 1.00 7.82 N ATOM 1028 CA ILE A 107 -21.300 -19.376 18.598 1.00 6.91 C ATOM 1029 C ILE A 107 -20.593 -18.087 18.210 1.00 9.16 C ATOM 1030 O ILE A 107 -19.634 -18.120 17.433 1.00 9.54 O ATOM 1031 CB ILE A 107 -20.352 -20.304 19.377 1.00 7.43 C ATOM 1032 CG1 ILE A 107 -21.068 -21.616 19.721 1.00 8.81 C ATOM 1033 CG2 ILE A 107 -19.847 -19.612 20.632 1.00 10.63 C ATOM 1034 CD1 ILE A 107 -20.202 -22.649 20.489 1.00 13.85 C ATOM 1035 H ILE A 107 -21.099 -20.163 16.597 1.00 0.00 H ATOM 1036 N VAL A 108 -21.070 -16.958 18.738 1.00 8.94 N ATOM 1037 CA VAL A 108 -20.500 -15.650 18.437 1.00 8.96 C ATOM 1038 C VAL A 108 -20.142 -14.973 19.749 1.00 8.97 C ATOM 1039 O VAL A 108 -20.711 -15.281 20.798 1.00 11.33 O ATOM 1040 CB VAL A 108 -21.472 -14.761 17.635 1.00 9.43 C ATOM 1041 CG1 VAL A 108 -21.762 -15.386 16.277 1.00 9.39 C ATOM 1042 CG2 VAL A 108 -22.768 -14.571 18.406 1.00 8.46 C ATOM 1043 H VAL A 108 -21.879 -17.013 19.389 1.00 0.00 H ATOM 1044 N ALA A 109 -19.171 -14.065 19.693 1.00 8.04 N ATOM 1045 CA ALA A 109 -18.862 -13.184 20.807 1.00 6.42 C ATOM 1046 C ALA A 109 -19.580 -11.863 20.587 1.00 8.53 C ATOM 1047 O ALA A 109 -19.648 -11.368 19.464 1.00 11.86 O ATOM 1048 CB ALA A 109 -17.352 -12.940 20.932 1.00 9.86 C ATOM 1049 H ALA A 109 -18.612 -13.983 18.820 1.00 0.00 H ATOM 1050 N CYS A 110 -20.091 -11.287 21.663 1.00 9.36 N ATOM 1051 CA CYS A 110 -20.885 -10.068 21.586 1.00 9.06 C ATOM 1052 C CYS A 110 -20.299 -9.027 22.529 1.00 10.34 C ATOM 1053 O CYS A 110 -19.745 -9.357 23.580 1.00 8.40 O ATOM 1054 CB CYS A 110 -22.358 -10.321 21.955 1.00 9.67 C ATOM 1055 SG CYS A 110 -23.145 -11.582 20.913 1.00 10.70 S ATOM 1056 H CYS A 110 -19.920 -11.718 22.594 1.00 0.00 H ATOM 1057 N GLU A 111 -20.415 -7.764 22.128 1.00 9.79 N ATOM 1058 CA GLU A 111 -19.859 -6.644 22.875 1.00 8.56 C ATOM 1059 C GLU A 111 -20.698 -5.417 22.581 1.00 11.04 C ATOM 1060 O GLU A 111 -21.370 -5.336 21.548 1.00 10.95 O ATOM 1061 CB GLU A 111 -18.405 -6.347 22.494 1.00 12.44 C ATOM 1062 CG GLU A 111 -17.424 -7.421 22.923 1.00 10.80 C ATOM 1063 CD GLU A 111 -15.976 -7.051 22.692 1.00 19.03 C ATOM 1064 OE1 GLU A 111 -15.111 -7.557 23.446 1.00 20.48 O ATOM 1065 OE2 GLU A 111 -15.698 -6.267 21.769 1.00 19.53 O ATOM 1066 H GLU A 111 -20.925 -7.568 21.243 1.00 0.00 H ATOM 1067 N GLY A 112 -20.610 -4.438 23.471 1.00 9.08 N ATOM 1068 CA GLY A 112 -21.075 -3.098 23.175 1.00 10.48 C ATOM 1069 C GLY A 112 -22.465 -2.798 23.706 1.00 14.42 C ATOM 1070 O GLY A 112 -23.178 -3.643 24.254 1.00 13.10 O ATOM 1071 H GLY A 112 -20.197 -4.637 24.405 1.00 0.00 H ATOM 1072 N ASN A 113 -22.832 -1.525 23.559 1.00 17.88 N ATOM 1073 CA ASN A 113 -24.193 -1.066 23.814 1.00 16.13 C ATOM 1074 C ASN A 113 -24.624 -0.290 22.580 1.00 21.19 C ATOM 1075 O ASN A 113 -24.182 0.856 22.386 1.00 21.62 O ATOM 1076 CB ASN A 113 -24.271 -0.205 25.068 1.00 16.01 C ATOM 1077 CG ASN A 113 -25.682 0.221 25.391 1.00 23.59 C ATOM 1078 OD1 ASN A 113 -26.646 -0.266 24.799 1.00 20.83 O ATOM 1079 ND2 ASN A 113 -25.811 1.146 26.334 1.00 33.29 N ATOM 1080 HD22 ASN A 113 -24.967 1.528 26.807 1.00 0.00 H ATOM 1081 HD21 ASN A 113 -26.756 1.489 26.600 1.00 0.00 H ATOM 1082 H ASN A 113 -22.120 -0.832 23.251 1.00 0.00 H ATOM 1083 N PRO A 114 -25.471 -0.874 21.718 1.00 18.68 N ATOM 1084 CA PRO A 114 -26.155 -2.164 21.877 1.00 17.71 C ATOM 1085 C PRO A 114 -25.237 -3.389 21.751 1.00 14.93 C ATOM 1086 O PRO A 114 -24.161 -3.346 21.156 1.00 13.93 O ATOM 1087 CB PRO A 114 -27.181 -2.146 20.749 1.00 20.80 C ATOM 1088 CG PRO A 114 -26.537 -1.349 19.704 1.00 26.19 C ATOM 1089 CD PRO A 114 -25.816 -0.248 20.429 1.00 25.19 C ATOM 1090 N TYR A 115 -25.698 -4.478 22.347 1.00 12.48 N ATOM 1091 CA TYR A 115 -24.920 -5.707 22.477 1.00 10.36 C ATOM 1092 C TYR A 115 -25.084 -6.524 21.208 1.00 9.80 C ATOM 1093 O TYR A 115 -26.161 -7.082 20.955 1.00 14.76 O ATOM 1094 CB TYR A 115 -25.408 -6.481 23.687 1.00 10.78 C ATOM 1095 CG TYR A 115 -24.447 -7.471 24.302 1.00 9.01 C ATOM 1096 CD1 TYR A 115 -23.175 -7.084 24.712 1.00 9.25 C ATOM 1097 CD2 TYR A 115 -24.840 -8.784 24.518 1.00 10.31 C ATOM 1098 CE1 TYR A 115 -22.309 -7.984 25.326 1.00 10.44 C ATOM 1099 CE2 TYR A 115 -23.984 -9.694 25.131 1.00 9.58 C ATOM 1100 CZ TYR A 115 -22.730 -9.291 25.527 1.00 10.81 C ATOM 1101 OH TYR A 115 -21.883 -10.189 26.146 1.00 13.24 O ATOM 1102 HH TYR A 115 -22.305 -10.518 26.979 1.00 0.00 H ATOM 1103 H TYR A 115 -26.660 -4.457 22.741 1.00 0.00 H ATOM 1104 N VAL A 116 -24.026 -6.587 20.406 1.00 11.10 N ATOM 1105 CA VAL A 116 -24.127 -7.136 19.056 1.00 10.89 C ATOM 1106 C VAL A 116 -22.946 -8.053 18.784 1.00 9.63 C ATOM 1107 O VAL A 116 -21.921 -8.008 19.475 1.00 9.07 O ATOM 1108 CB VAL A 116 -24.180 -6.025 17.988 1.00 14.86 C ATOM 1109 CG1 VAL A 116 -25.513 -5.270 18.069 1.00 15.09 C ATOM 1110 CG2 VAL A 116 -23.006 -5.091 18.136 1.00 10.86 C ATOM 1111 H VAL A 116 -23.107 -6.238 20.747 1.00 0.00 H ATOM 1112 N PRO A 117 -23.075 -8.920 17.786 1.00 9.11 N ATOM 1113 CA PRO A 117 -21.961 -9.821 17.462 1.00 9.83 C ATOM 1114 C PRO A 117 -20.765 -9.058 16.918 1.00 10.91 C ATOM 1115 O PRO A 117 -20.900 -8.178 16.064 1.00 14.00 O ATOM 1116 CB PRO A 117 -22.557 -10.759 16.407 1.00 11.44 C ATOM 1117 CG PRO A 117 -24.020 -10.679 16.618 1.00 13.24 C ATOM 1118 CD PRO A 117 -24.294 -9.271 17.043 1.00 10.12 C ATOM 1119 N VAL A 118 -19.581 -9.399 17.434 1.00 10.67 N ATOM 1120 CA VAL A 118 -18.330 -8.819 16.965 1.00 10.57 C ATOM 1121 C VAL A 118 -17.309 -9.868 16.559 1.00 14.69 C ATOM 1122 O VAL A 118 -16.233 -9.514 16.078 1.00 14.90 O ATOM 1123 CB VAL A 118 -17.724 -7.872 18.024 1.00 12.78 C ATOM 1124 CG1 VAL A 118 -18.635 -6.663 18.245 1.00 12.54 C ATOM 1125 CG2 VAL A 118 -17.484 -8.605 19.332 1.00 12.92 C ATOM 1126 H VAL A 118 -19.551 -10.104 18.198 1.00 0.00 H ATOM 1127 N HIS A 119 -17.613 -11.154 16.708 1.00 12.55 N ATOM 1128 CA HIS A 119 -16.628 -12.178 16.389 1.00 12.92 C ATOM 1129 C HIS A 119 -17.361 -13.497 16.211 1.00 11.21 C ATOM 1130 O HIS A 119 -18.272 -13.804 16.976 1.00 11.42 O ATOM 1131 CB HIS A 119 -15.584 -12.263 17.510 1.00 17.33 C ATOM 1132 CG HIS A 119 -14.915 -13.595 17.642 1.00 15.30 C ATOM 1133 ND1 HIS A 119 -13.799 -13.937 16.916 1.00 17.50 N ATOM 1134 CD2 HIS A 119 -15.175 -14.655 18.447 1.00 15.13 C ATOM 1135 CE1 HIS A 119 -13.408 -15.156 17.245 1.00 19.00 C ATOM 1136 NE2 HIS A 119 -14.226 -15.614 18.175 1.00 17.21 N ATOM 1137 H HIS A 119 -18.555 -11.429 17.053 1.00 0.00 H ATOM 1138 N PHE A 120 -16.976 -14.266 15.200 1.00 10.20 N ATOM 1139 CA PHE A 120 -17.524 -15.602 15.012 1.00 7.42 C ATOM 1140 C PHE A 120 -16.586 -16.614 15.664 1.00 10.15 C ATOM 1141 O PHE A 120 -15.424 -16.725 15.263 1.00 11.37 O ATOM 1142 CB PHE A 120 -17.702 -15.902 13.523 1.00 9.01 C ATOM 1143 CG PHE A 120 -18.471 -17.155 13.258 1.00 9.25 C ATOM 1144 CD1 PHE A 120 -17.848 -18.395 13.314 1.00 10.53 C ATOM 1145 CD2 PHE A 120 -19.836 -17.097 12.999 1.00 12.71 C ATOM 1146 CE1 PHE A 120 -18.584 -19.567 13.067 1.00 10.91 C ATOM 1147 CE2 PHE A 120 -20.574 -18.267 12.767 1.00 13.34 C ATOM 1148 CZ PHE A 120 -19.941 -19.491 12.807 1.00 11.17 C ATOM 1149 H PHE A 120 -16.268 -13.907 14.528 1.00 0.00 H ATOM 1150 N ASP A 121 -17.081 -17.364 16.655 1.00 8.11 N ATOM 1151 CA ASP A 121 -16.188 -18.243 17.403 1.00 9.16 C ATOM 1152 C ASP A 121 -16.167 -19.673 16.884 1.00 10.42 C ATOM 1153 O ASP A 121 -15.085 -20.273 16.793 1.00 12.73 O ATOM 1154 CB ASP A 121 -16.560 -18.266 18.896 1.00 8.96 C ATOM 1155 CG ASP A 121 -15.367 -18.528 19.782 1.00 10.37 C ATOM 1156 OD1 ASP A 121 -14.316 -17.889 19.552 1.00 12.55 O ATOM 1157 OD2 ASP A 121 -15.494 -19.337 20.722 1.00 12.67 O ATOM 1158 H ASP A 121 -18.093 -17.321 16.890 1.00 0.00 H ATOM 1159 N ALA A 122 -17.324 -20.241 16.563 1.00 10.13 N ATOM 1160 CA ALA A 122 -17.386 -21.666 16.272 1.00 13.34 C ATOM 1161 C ALA A 122 -18.778 -22.020 15.786 1.00 12.33 C ATOM 1162 O ALA A 122 -19.732 -21.260 15.943 1.00 11.04 O ATOM 1163 CB ALA A 122 -17.045 -22.502 17.507 1.00 13.76 C ATOM 1164 H ALA A 122 -18.189 -19.665 16.519 1.00 0.00 H ATOM 1165 N SER A 123 -18.886 -23.196 15.188 1.00 12.76 N ATOM 1166 CA SER A 123 -20.187 -23.805 14.971 1.00 13.17 C ATOM 1167 C SER A 123 -20.168 -25.197 15.588 1.00 13.00 C ATOM 1168 O SER A 123 -19.126 -25.854 15.611 1.00 18.58 O ATOM 1169 CB SER A 123 -20.531 -23.864 13.488 1.00 16.73 C ATOM 1170 OG SER A 123 -19.634 -24.725 12.841 1.00 19.02 O ATOM 1171 HG SER A 123 -18.711 -24.385 12.955 1.00 0.00 H ATOM 1172 H SER A 123 -18.028 -23.690 14.869 1.00 0.00 H ATOM 1173 N VAL A 124 -21.311 -25.631 16.116 1.00 15.62 N ATOM 1174 CA VAL A 124 -21.390 -26.929 16.785 1.00 16.80 C ATOM 1175 C VAL A 124 -22.676 -27.638 16.391 1.00 19.29 C ATOM 1176 O VAL A 124 -23.642 -27.028 15.932 1.00 18.91 O ATOM 1177 CB VAL A 124 -21.313 -26.808 18.327 1.00 16.78 C ATOM 1178 CG1 VAL A 124 -19.974 -26.244 18.772 1.00 21.36 C ATOM 1179 CG2 VAL A 124 -22.469 -25.967 18.877 1.00 18.86 C ATOM 1180 OXT VAL A 124 -22.784 -28.849 16.561 1.00 23.37 O ATOM 1181 H VAL A 124 -22.162 -25.037 16.051 1.00 0.00 H TER 1182 VAL A 124 HETATM 1183 O HOH 1 -14.306 -12.671 23.190 1.00 9.42 O HETATM 1184 O HOH 2 -15.833 -10.482 12.638 1.00 20.14 O HETATM 1185 O HOH 3 -13.110 -5.014 21.429 1.00 37.89 O HETATM 1186 O HOH 4 -24.392 -26.838 -4.585 1.00 20.47 O HETATM 1187 O HOH 5 -14.705 -13.336 13.520 1.00 16.53 O HETATM 1188 O HOH 6 -14.412 -10.348 26.335 1.00 18.07 O HETATM 1189 O HOH 7 -12.380 -9.071 23.273 1.00 32.00 O HETATM 1190 O HOH 8 -15.325 -25.995 3.843 1.00 32.84 O HETATM 1191 O HOH 9 -17.671 -2.809 6.671 1.00 31.34 O HETATM 1192 O HOH 10 -36.000 -23.447 15.910 1.00 33.88 O HETATM 1193 O HOH 11 -15.302 -20.647 -8.137 1.00 39.39 O HETATM 1194 O HOH 12 -24.855 -24.020 -7.579 1.00 28.85 O HETATM 1195 O HOH 13 -22.575 -25.737 -7.229 1.00 26.41 O HETATM 1196 O HOH 14 -3.531 -18.291 3.867 1.00 31.90 O HETATM 1197 O HOH 15 -27.540 -8.061 19.084 1.00 25.35 O HETATM 1198 O HOH 16 -18.244 -23.225 11.310 1.00 21.67 O HETATM 1199 O HOH 17 -31.344 -16.996 26.771 1.00 23.19 O HETATM 1200 O HOH 18 -30.604 -24.641 10.043 1.00 32.16 O HETATM 1201 O HOH 19 -31.623 -6.789 16.401 1.00 35.51 O HETATM 1202 O HOH 20 -32.494 -9.268 16.934 1.00 24.54 O HETATM 1203 O HOH 21 -18.201 -28.252 14.780 1.00 35.80 O HETATM 1204 O HOH 22 -8.238 -9.510 -3.837 1.00 41.28 O HETATM 1205 O HOH 23 -21.207 -25.829 22.837 1.00 18.74 O HETATM 1206 O HOH 24 -23.392 -25.644 24.588 1.00 37.78 O HETATM 1207 O HOH 25 -15.465 -7.989 14.061 1.00 19.97 O HETATM 1208 O HOH 26 -6.224 -11.825 -3.283 1.00 33.58 O HETATM 1209 O HOH 27 -27.253 -27.022 4.745 1.00 31.79 O HETATM 1210 O HOH 28 -8.561 -20.713 25.820 1.00 20.98 O HETATM 1211 O HOH 29 -25.115 -12.088 28.796 1.00 28.25 O HETATM 1212 O HOH 30 -12.543 -16.928 21.309 1.00 16.17 O HETATM 1213 O HOH 31 -27.845 -24.437 21.278 1.00 22.20 O HETATM 1214 O HOH 32 -28.022 -14.741 27.421 1.00 26.72 O HETATM 1215 O HOH 33 -24.698 -15.699 31.423 1.00 19.05 O HETATM 1216 O HOH 34 -3.898 -20.714 -5.906 1.00 34.58 O HETATM 1217 O HOH 35 -27.171 -11.322 26.707 1.00 23.45 O HETATM 1218 O HOH 36 -16.953 -21.281 21.877 1.00 11.62 O HETATM 1219 O HOH 37 -15.234 -22.097 -3.236 1.00 29.23 O HETATM 1220 O HOH 38 -26.361 -3.096 10.964 1.00 37.06 O HETATM 1221 O HOH 39 -33.263 -15.823 9.467 1.00 20.54 O HETATM 1222 O HOH 40 -22.635 -1.730 19.601 1.00 22.46 O HETATM 1223 O HOH 41 -9.655 -14.260 15.825 1.00 39.46 O HETATM 1224 O HOH 42 -24.738 -29.553 18.313 1.00 36.67 O HETATM 1225 O HOH 43 -28.543 -7.604 22.190 1.00 26.47 O HETATM 1226 O HOH 44 -10.362 -9.833 -1.206 1.00 27.74 O HETATM 1227 O HOH 45 -32.010 -16.078 16.746 1.00 16.38 O HETATM 1228 O HOH 46 -9.120 -22.831 22.844 1.00 24.69 O HETATM 1229 O HOH 47 -15.841 -1.229 17.047 1.00 31.67 O HETATM 1230 O HOH 48 -9.232 -18.034 9.627 1.00 23.76 O HETATM 1231 O HOH 49 -17.504 -24.686 -9.921 1.00 20.63 O HETATM 1232 O HOH 50 -22.563 -7.289 14.046 1.00 16.78 O HETATM 1233 O HOH 51 -20.110 -4.197 7.034 1.00 19.35 O HETATM 1234 O HOH 52 -11.339 -3.602 9.987 1.00 37.85 O HETATM 1235 O HOH 53 -31.398 -19.432 17.640 1.00 19.66 O HETATM 1236 O HOH 54 -32.163 -22.331 9.152 1.00 28.13 O HETATM 1237 O HOH 55 -24.833 -3.331 26.502 1.00 18.97 O HETATM 1238 O HOH 56 -10.877 -16.237 -3.125 1.00 26.58 O HETATM 1239 O HOH 57 -24.729 -5.695 13.891 1.00 20.81 O HETATM 1240 O HOH 58 -35.955 -12.119 11.017 1.00 35.54 O HETATM 1241 O HOH 59 -19.332 -12.427 -4.266 1.00 33.94 O HETATM 1242 O HOH 60 -17.979 -23.240 25.105 1.00 12.07 O HETATM 1243 O HOH 61 -18.903 -8.518 26.184 1.00 10.38 O HETATM 1244 O HOH 62 -32.567 -26.277 15.486 1.00 30.41 O HETATM 1245 O HOH 63 -29.629 -9.872 21.290 1.00 26.58 O HETATM 1246 O HOH 64 -20.054 -9.735 -1.118 1.00 31.32 O HETATM 1247 O HOH 65 -15.675 -12.274 -6.124 1.00 32.78 O HETATM 1248 O HOH 66 1.993 -16.542 -2.287 1.00 22.51 O HETATM 1249 O HOH 67 -12.418 -15.099 31.434 1.00 36.25 O HETATM 1250 O HOH 68 -25.896 -28.749 15.271 1.00 28.31 O HETATM 1251 O HOH 69 -19.482 -22.618 28.725 1.00 19.29 O HETATM 1252 O HOH 70 -28.518 -4.647 23.239 1.00 29.43 O HETATM 1253 O HOH 71 -19.061 -2.419 17.160 1.00 30.89 O HETATM 1254 O HOH 72 -21.371 -19.547 -9.275 1.00 32.11 O HETATM 1255 O HOH 73 -20.194 -3.480 19.509 1.00 22.44 O HETATM 1256 O HOH 74 -21.875 -0.465 13.366 1.00 33.19 O HETATM 1257 O HOH 75 -25.982 -30.032 8.181 1.00 35.95 O HETATM 1258 O HOH 76 -16.228 -24.331 14.378 1.00 23.02 O HETATM 1259 O HOH 77 -20.740 0.511 22.841 1.00 23.62 O HETATM 1260 O HOH 78 -7.970 -20.035 10.943 1.00 39.85 O HETATM 1261 O HOH 79 -28.148 -25.797 27.670 1.00 27.63 O HETATM 1262 O HOH 80 -22.101 -22.551 29.477 1.00 27.88 O HETATM 1263 O HOH 81 -33.449 -14.398 21.102 1.00 24.88 O HETATM 1264 O HOH 82 -2.190 -18.136 6.482 1.00 42.04 O HETATM 1265 O HOH 83 -24.510 -27.988 22.475 1.00 37.03 O HETATM 1266 O HOH 84 -27.337 -2.569 26.849 1.00 33.48 O HETATM 1267 O HOH 85 -7.624 -16.272 10.561 1.00 33.24 O HETATM 1268 O HOH 86 -32.219 -18.393 12.717 1.00 30.98 O HETATM 1269 O HOH 87 -31.487 -25.310 22.565 1.00 32.99 O HETATM 1270 O HOH 88 -20.928 -0.339 16.078 1.00 36.51 O HETATM 1271 O HOH 89 -21.423 0.673 20.046 1.00 38.72 O HETATM 1272 O HOH 90 -23.591 2.437 28.973 1.00 36.63 O HETATM 1273 O HOH 91 -9.837 -24.236 20.687 1.00 31.66 O HETATM 1274 O HOH 92 -10.562 -16.833 19.707 1.00 30.71 O HETATM 1275 O HOH 93 -29.506 -6.326 18.664 1.00 37.61 O HETATM 1276 O HOH 94 -24.774 -3.230 14.997 1.00 23.55 O HETATM 1277 O HOH 95 -16.553 -1.703 4.515 1.00 41.48 O HETATM 1278 O HOH 96 -26.051 -14.440 29.611 1.00 26.26 O HETATM 1279 O HOH 97 -1.789 -20.237 -7.504 1.00 42.43 O HETATM 1280 O HOH 98 -25.328 -32.043 16.687 1.00 38.67 O HETATM 1281 O HOH 99 -32.838 -18.476 15.489 1.00 28.76 O HETATM 1282 O HOH 100 -18.100 -0.124 7.573 1.00 36.42 O HETATM 1283 O HOH 101 -24.592 -0.581 11.135 1.00 56.52 O HETATM 1284 O HOH 102 -23.250 -1.324 17.111 1.00 26.98 O HETATM 1285 C1' U A 5 -12.789 -17.593 11.761 1.00 0.21 C HETATM 1286 N1 U A 5 -13.582 -18.815 11.933 1.00 -0.16 N HETATM 1287 C2 U A 5 -14.787 -18.909 11.353 1.00 0.33 C HETATM 1288 N3 U A 5 -15.541 -20.020 11.486 1.00 -0.19 N HETATM 1289 C4 U A 5 -15.097 -21.058 12.223 1.00 0.18 C HETATM 1290 C5 U A 5 -13.827 -20.977 12.851 1.00 0.01 C HETATM 1291 C6 U A 5 -13.091 -19.853 12.688 1.00 0.06 C HETATM 1292 H6 U A 5 -12.111 -19.771 13.155 1.00 0.12 H HETATM 1293 H3 U A 5 -13.452 -21.803 13.453 1.00 0.03 H HETATM 1294 O4 U A 5 -15.787 -22.051 12.343 1.00 -0.41 O HETATM 1295 H7 U A 5 -16.433 -20.074 11.036 1.00 0.23 H HETATM 1296 O2 U A 5 -15.197 -17.973 10.695 1.00 -0.38 O HETATM 1297 O4' U A 5 -11.382 -17.921 11.791 1.00 -0.34 O HETATM 1298 C4' U A 5 -10.643 -16.956 12.578 1.00 0.12 C HETATM 1299 C5' U A 5 -9.675 -17.708 13.490 1.00 0.11 C HETATM 1300 O5' U A 5 -10.479 -18.593 14.268 1.00 -0.25 O HETATM 1301 PA U A 5 -9.550 -19.708 14.955 1.00 0.32 P HETATM 1302 O1A U A 5 -8.517 -19.038 15.776 1.00 -0.58 O HETATM 1303 O2A U A 5 -10.486 -20.626 15.893 1.00 -0.58 O HETATM 1304 O3A U A 5 -8.842 -20.579 13.798 1.00 -0.12 O HETATM 1305 P02 U A 5 -9.352 -22.109 13.857 1.00 0.35 P HETATM 1306 O04 U A 5 -8.733 -22.815 12.715 1.00 -0.58 O HETATM 1307 O05 U A 5 -10.954 -22.155 13.684 1.00 -0.58 O HETATM 1308 O3B U A 5 -9.000 -22.785 15.288 1.00 -0.11 O HETATM 1309 P01 U A 5 -7.800 -23.874 15.279 1.00 0.36 P HETATM 1310 O01 U A 5 -6.504 -23.159 15.332 1.00 -0.58 O HETATM 1311 O03 U A 5 -7.825 -24.848 13.995 1.00 -0.58 O HETATM 1312 O2G U A 5 -7.964 -24.797 16.594 1.00 -0.12 O HETATM 1313 PB U A 5 -9.105 -25.890 16.261 1.00 0.35 P HETATM 1314 O06 U A 5 -10.262 -25.168 15.395 1.00 -0.16 O HETATM 1315 PG U A 5 -11.494 -26.155 15.051 1.00 0.17 P HETATM 1316 O02 U A 5 -12.322 -25.510 13.827 1.00 -0.63 O HETATM 1317 O1G U A 5 -12.387 -26.288 16.226 1.00 -0.63 O HETATM 1318 O3G U A 5 -10.965 -27.610 14.610 1.00 -0.63 O HETATM 1319 O1B U A 5 -9.665 -26.377 17.542 1.00 -0.58 O HETATM 1320 O2B U A 5 -8.460 -27.128 15.453 1.00 -0.58 O HETATM 1321 H4 U A 5 -9.139 -17.004 14.143 1.00 0.06 H HETATM 1322 H5 U A 5 -8.949 -18.277 12.891 1.00 0.06 H HETATM 1323 C3' U A 5 -11.662 -16.063 13.301 1.00 0.11 C HETATM 1324 C2' U A 5 -12.966 -16.862 13.115 1.00 0.14 C HETATM 1325 O2' U A 5 -14.099 -15.999 13.145 1.00 -0.38 O HETATM 1326 H10 U A 5 -14.132 -15.550 13.982 1.00 0.21 H HETATM 1327 H8 U A 5 -13.073 -17.602 13.922 1.00 0.07 H HETATM 1328 O3' U A 5 -11.743 -14.807 12.623 1.00 -0.39 O HETATM 1329 H11 U A 5 -12.467 -14.304 12.977 1.00 0.21 H HETATM 1330 H9 U A 5 -11.414 -15.916 14.363 1.00 0.06 H HETATM 1331 H2 U A 5 -10.048 -16.319 11.908 1.00 0.07 H HETATM 1332 H1 U A 5 -13.084 -17.007 10.878 1.00 0.10 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 238 237 803 CONECT 392 391 912 CONECT 554 553 1055 CONECT 619 618 687 CONECT 687 619 686 CONECT 803 238 802 CONECT 912 392 911 CONECT 1055 554 1054 CONECT 1285 1286 1297 1324 1332 CONECT 1286 1285 1287 1291 CONECT 1287 1286 1288 1296 CONECT 1288 1287 1289 1295 CONECT 1289 1288 1290 1294 CONECT 1290 1289 1291 1293 CONECT 1291 1286 1290 1292 CONECT 1292 1291 CONECT 1293 1290 CONECT 1294 1289 CONECT 1295 1288 CONECT 1296 1287 CONECT 1297 1285 1298 CONECT 1298 1297 1299 1323 1331 CONECT 1299 1298 1300 1321 1322 CONECT 1300 1299 1301 CONECT 1301 1300 1302 1303 1304 CONECT 1302 1301 CONECT 1303 1301 CONECT 1304 1301 1305 CONECT 1305 1304 1306 1307 1308 CONECT 1306 1305 CONECT 1307 1305 CONECT 1308 1305 1309 CONECT 1309 1308 1310 1311 1312 CONECT 1310 1309 CONECT 1311 1309 CONECT 1312 1309 1313 CONECT 1313 1312 1314 1319 1320 CONECT 1314 1313 1315 CONECT 1315 1314 1316 1317 1318 CONECT 1316 1315 CONECT 1317 1315 CONECT 1318 1315 CONECT 1319 1313 CONECT 1320 1313 CONECT 1321 1299 CONECT 1322 1299 CONECT 1323 1298 1324 1328 1330 CONECT 1324 1285 1323 1325 1327 CONECT 1325 1324 1326 CONECT 1326 1325 CONECT 1327 1324 CONECT 1328 1323 1329 CONECT 1329 1328 CONECT 1330 1323 CONECT 1331 1298 CONECT 1332 1285 MASTER 0 0 0 0 0 0 0 0 1331 1 60 10 END
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124aa, >1AFK_1|Chains... at 99%
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PDBbind
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1o0o
RCSB PDB
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PDBbind
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PDBbind
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PDBbind
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PDBbind
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PDBbind
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PDBbind
124aa, >1Z6D_1|Chains... at 99%
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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PDBbind
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RCSB PDB
PDBbind
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3d6p
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PDBbind
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PDBbind
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PDBbind
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124aa, >6RSA_1|Chain... at 99%
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6pvx
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
RNase A
Ligand Name
U5F
EC.Number
E.C.4.6.1.18
Resolution
1.55(Å)
Affinity (Kd/Ki/IC50)
Ki=0.068uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Am.Chem.Soc. Vol. 141: pp. 18400-18404
Ligand Properties
Formula
C
9
H
2
2
N
2
O
2
1
P
5
Molecular Weight
649.141
Exact Mass
648.940
No. of atoms
59
No. of bonds
60
Polar Surface Area
441.18
LOGP Value
-8.82 (
Computed with XLOGP3
)
-4.46 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 23
No. of Rings: 2
Canonical SMILES
O[C@@H]1[C@@H](COP(OP(OP(OP(OP(O)(O)O)(O)O)(O)O)(O)O)(O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
InChI String
InChI=1S/C9H27N2O21P5/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(28-8)3-27-34(19,20)30-36(23,24)32-37(25,26)31-35(21,22)29-33(16,17)18/h1-2,4,6-8,13-14,16-26,33-37H,3H2,(H,10,12,15)/t4-,6-,7-,8-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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