Browse entries in the PDBbind-CN Database
HEADER 1J80_COMPLEX COMPND 1J80_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 101 ASN TYR CYS ASN GLN MET MET LYS SER ARG ASN LEU THR SEQRES 2 B 101 LYS ASP ARG CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SEQRES 3 B 101 SER LEU ALA ASP VAL GLN ALA VAL CYS SER GLN LYS ASN SEQRES 4 B 101 VAL ALA CYS LYS ASN GLY GLN THR ASN CYS TYR GLN SER SEQRES 5 B 101 TYR SER THR MET SER ILE THR ASP CYS ARG GLU THR GLY SEQRES 6 B 101 SER SER LYS TYR PRO ASN CYS ALA TYR LYS THR THR GLN SEQRES 7 B 101 ALA ASN LYS HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO SEQRES 8 B 101 TYR VAL PRO VAL HIS PHE ASP ALA SER VAL HET LYS A 143 241 SSBOND 1 CYS B 65 CYS B 72 SSBOND 2 CYS B 26 CYS B 84 SSBOND 3 CYS B 40 CYS B 95 SSBOND 4 CYS B 58 CYS B 110 ATOM 1 N ASN B 24 -30.024 -7.476 -1.871 1.00 28.69 N ATOM 2 CA ASN B 24 -28.644 -8.058 -1.873 1.00 28.55 C ATOM 3 C ASN B 24 -28.009 -7.927 -0.484 1.00 26.95 C ATOM 4 O ASN B 24 -27.922 -6.824 0.069 1.00 24.62 O ATOM 5 CB ASN B 24 -27.787 -7.338 -2.926 1.00 33.63 C ATOM 6 CG ASN B 24 -26.377 -7.894 -3.026 1.00 30.45 C ATOM 7 OD1 ASN B 24 -25.437 -7.310 -2.502 1.00 32.11 O ATOM 8 ND2 ASN B 24 -26.223 -9.016 -3.709 1.00 39.28 N ATOM 9 HA ASN B 24 -28.701 -9.117 -2.123 1.00 0.00 H ATOM 10 HB2 ASN B 24 -28.271 -7.441 -3.897 1.00 0.00 H ATOM 11 HB3 ASN B 24 -27.726 -6.282 -2.662 1.00 0.00 H ATOM 12 HD22 ASN B 24 -27.048 -9.481 -4.139 1.00 0.00 H ATOM 13 HD21 ASN B 24 -25.277 -9.434 -3.816 1.00 0.00 H ATOM 14 HN3 ASN B 24 -29.974 -6.470 -1.614 1.00 0.00 H ATOM 15 HN2 ASN B 24 -30.612 -7.983 -1.179 1.00 0.00 H ATOM 16 HN1 ASN B 24 -30.441 -7.572 -2.819 1.00 0.00 H ATOM 17 N TYR B 25 -27.571 -9.047 0.085 1.00 24.66 N ATOM 18 CA TYR B 25 -26.971 -9.030 1.414 1.00 22.58 C ATOM 19 C TYR B 25 -25.826 -8.025 1.564 1.00 19.58 C ATOM 20 O TYR B 25 -25.762 -7.295 2.553 1.00 21.64 O ATOM 21 CB TYR B 25 -26.488 -10.438 1.799 1.00 25.61 C ATOM 22 CG TYR B 25 -25.652 -10.479 3.066 1.00 27.96 C ATOM 23 CD1 TYR B 25 -26.254 -10.514 4.326 1.00 26.98 C ATOM 24 CD2 TYR B 25 -24.255 -10.431 3.009 1.00 27.39 C ATOM 25 CE1 TYR B 25 -25.489 -10.492 5.494 1.00 26.36 C ATOM 26 CE2 TYR B 25 -23.483 -10.409 4.167 1.00 28.82 C ATOM 27 CZ TYR B 25 -24.102 -10.435 5.404 1.00 28.43 C ATOM 28 OH TYR B 25 -23.323 -10.374 6.540 1.00 25.01 O ATOM 29 HA TYR B 25 -27.757 -8.703 2.094 1.00 0.00 H ATOM 30 HB3 TYR B 25 -25.887 -10.831 0.979 1.00 0.00 H ATOM 31 HB2 TYR B 25 -27.362 -11.073 1.944 1.00 0.00 H ATOM 32 HD2 TYR B 25 -23.761 -10.410 2.038 1.00 0.00 H ATOM 33 HE2 TYR B 25 -22.396 -10.371 4.100 1.00 0.00 H ATOM 34 HE1 TYR B 25 -25.975 -10.519 6.469 1.00 0.00 H ATOM 35 HD1 TYR B 25 -27.341 -10.559 4.399 1.00 0.00 H ATOM 36 HH TYR B 25 -23.905 -10.402 7.340 1.00 0.00 H ATOM 37 H TYR B 25 -27.658 -9.949 -0.426 1.00 0.00 H ATOM 38 N CYS B 26 -24.934 -7.981 0.579 1.00 17.28 N ATOM 39 CA CYS B 26 -23.785 -7.081 0.635 1.00 19.59 C ATOM 40 C CYS B 26 -24.169 -5.617 0.553 1.00 20.05 C ATOM 41 O CYS B 26 -23.664 -4.798 1.309 1.00 22.73 O ATOM 42 CB CYS B 26 -22.792 -7.423 -0.472 1.00 17.42 C ATOM 43 SG CYS B 26 -21.820 -8.908 -0.088 1.00 19.98 S ATOM 44 HA CYS B 26 -23.321 -7.231 1.610 1.00 0.00 H ATOM 45 HB2 CYS B 26 -22.111 -6.582 -0.605 1.00 0.00 H ATOM 46 HB3 CYS B 26 -23.342 -7.593 -1.397 1.00 0.00 H ATOM 47 H CYS B 26 -25.057 -8.600 -0.248 1.00 0.00 H ATOM 48 N ASN B 27 -25.053 -5.287 -0.374 1.00 22.43 N ATOM 49 CA ASN B 27 -25.508 -3.915 -0.506 1.00 25.14 C ATOM 50 C ASN B 27 -26.217 -3.488 0.781 1.00 25.91 C ATOM 51 O ASN B 27 -26.009 -2.379 1.279 1.00 24.53 O ATOM 52 CB ASN B 27 -26.455 -3.787 -1.703 1.00 28.14 C ATOM 53 CG ASN B 27 -25.714 -3.674 -3.023 1.00 29.39 C ATOM 54 OD1 ASN B 27 -25.070 -2.666 -3.300 1.00 32.64 O ATOM 55 ND2 ASN B 27 -25.806 -4.709 -3.846 1.00 34.80 N ATOM 56 HA ASN B 27 -24.650 -3.264 -0.674 1.00 0.00 H ATOM 57 HB2 ASN B 27 -27.097 -4.667 -1.737 1.00 0.00 H ATOM 58 HB3 ASN B 27 -27.069 -2.896 -1.569 1.00 0.00 H ATOM 59 HD22 ASN B 27 -26.362 -5.544 -3.572 1.00 0.00 H ATOM 60 HD21 ASN B 27 -25.322 -4.686 -4.766 1.00 0.00 H ATOM 61 H ASN B 27 -25.425 -6.017 -1.014 1.00 0.00 H ATOM 62 N GLN B 28 -27.048 -4.378 1.317 1.00 24.94 N ATOM 63 CA GLN B 28 -27.793 -4.097 2.540 1.00 26.19 C ATOM 64 C GLN B 28 -26.897 -3.950 3.770 1.00 27.67 C ATOM 65 O GLN B 28 -26.987 -2.959 4.499 1.00 28.95 O ATOM 66 CB GLN B 28 -28.805 -5.208 2.799 1.00 27.52 C ATOM 67 CG GLN B 28 -30.009 -5.203 1.870 1.00 37.32 C ATOM 68 CD GLN B 28 -30.636 -6.582 1.733 1.00 45.16 C ATOM 69 OE1 GLN B 28 -31.311 -6.882 0.742 1.00 50.05 O ATOM 70 NE2 GLN B 28 -30.408 -7.433 2.727 1.00 45.44 N ATOM 71 HA GLN B 28 -28.294 -3.142 2.382 1.00 0.00 H ATOM 72 HB2 GLN B 28 -28.295 -6.165 2.688 1.00 0.00 H ATOM 73 HB3 GLN B 28 -29.166 -5.107 3.823 1.00 0.00 H ATOM 74 HG2 GLN B 28 -30.756 -4.516 2.267 1.00 0.00 H ATOM 75 HG3 GLN B 28 -29.691 -4.862 0.885 1.00 0.00 H ATOM 76 HE22 GLN B 28 -29.834 -7.138 3.543 1.00 0.00 H ATOM 77 HE21 GLN B 28 -30.804 -8.394 2.690 1.00 0.00 H ATOM 78 H GLN B 28 -27.170 -5.300 0.851 1.00 0.00 H ATOM 79 N MET B 29 -26.041 -4.942 3.999 1.00 23.76 N ATOM 80 CA MET B 29 -25.144 -4.951 5.150 1.00 23.96 C ATOM 81 C MET B 29 -24.104 -3.822 5.146 1.00 25.18 C ATOM 82 O MET B 29 -23.867 -3.176 6.175 1.00 27.60 O ATOM 83 CB MET B 29 -24.449 -6.310 5.238 1.00 17.71 C ATOM 84 CG MET B 29 -24.051 -6.715 6.638 1.00 18.34 C ATOM 85 SD MET B 29 -25.427 -6.832 7.776 1.00 10.54 S ATOM 86 CE MET B 29 -24.542 -7.063 9.272 1.00 16.50 C ATOM 87 HA MET B 29 -25.764 -4.775 6.029 1.00 0.00 H ATOM 88 HB2 MET B 29 -25.127 -7.067 4.843 1.00 0.00 H ATOM 89 HB3 MET B 29 -23.549 -6.274 4.624 1.00 0.00 H ATOM 90 HG2 MET B 29 -23.348 -5.976 7.023 1.00 0.00 H ATOM 91 HG3 MET B 29 -23.562 -7.688 6.589 1.00 0.00 H ATOM 92 HE1 MET B 29 -23.941 -7.970 9.201 1.00 0.00 H ATOM 93 HE2 MET B 29 -23.890 -6.206 9.443 1.00 0.00 H ATOM 94 HE3 MET B 29 -25.246 -7.156 10.099 1.00 0.00 H ATOM 95 H MET B 29 -26.010 -5.740 3.333 1.00 0.00 H ATOM 96 N MET B 30 -23.478 -3.582 3.999 1.00 26.62 N ATOM 97 CA MET B 30 -22.475 -2.523 3.900 1.00 26.89 C ATOM 98 C MET B 30 -23.119 -1.180 4.260 1.00 27.21 C ATOM 99 O MET B 30 -22.551 -0.363 4.984 1.00 24.37 O ATOM 100 CB MET B 30 -21.904 -2.463 2.474 1.00 22.91 C ATOM 101 CG MET B 30 -21.247 -3.757 1.986 1.00 26.42 C ATOM 102 SD MET B 30 -19.482 -3.871 2.363 1.00 28.09 S ATOM 103 CE MET B 30 -18.770 -2.623 1.276 1.00 26.11 C ATOM 104 HA MET B 30 -21.660 -2.735 4.593 1.00 0.00 H ATOM 105 HB2 MET B 30 -22.719 -2.219 1.793 1.00 0.00 H ATOM 106 HB3 MET B 30 -21.156 -1.671 2.442 1.00 0.00 H ATOM 107 HG2 MET B 30 -21.372 -3.819 0.905 1.00 0.00 H ATOM 108 HG3 MET B 30 -21.754 -4.599 2.458 1.00 0.00 H ATOM 109 HE1 MET B 30 -18.999 -2.872 0.240 1.00 0.00 H ATOM 110 HE2 MET B 30 -19.193 -1.648 1.518 1.00 0.00 H ATOM 111 HE3 MET B 30 -17.689 -2.596 1.414 1.00 0.00 H ATOM 112 H MET B 30 -23.704 -4.155 3.161 1.00 0.00 H ATOM 113 N LYS B 31 -24.329 -0.974 3.759 1.00 29.18 N ATOM 114 CA LYS B 31 -25.050 0.262 4.011 1.00 34.38 C ATOM 115 C LYS B 31 -25.386 0.410 5.479 1.00 31.68 C ATOM 116 O LYS B 31 -25.000 1.386 6.116 1.00 35.62 O ATOM 117 CB LYS B 31 -26.340 0.296 3.184 1.00 38.68 C ATOM 118 CG LYS B 31 -27.119 1.601 3.291 1.00 48.41 C ATOM 119 CD LYS B 31 -26.240 2.816 2.998 1.00 52.77 C ATOM 120 CE LYS B 31 -27.077 4.061 2.704 1.00 56.36 C ATOM 121 NZ LYS B 31 -27.407 4.838 3.935 1.00 58.64 N ATOM 122 HA LYS B 31 -24.406 1.091 3.719 1.00 0.00 H ATOM 123 HB2 LYS B 31 -26.079 0.139 2.137 1.00 0.00 H ATOM 124 HB3 LYS B 31 -26.984 -0.515 3.523 1.00 0.00 H ATOM 125 HG2 LYS B 31 -27.941 1.580 2.576 1.00 0.00 H ATOM 126 HG3 LYS B 31 -27.519 1.691 4.301 1.00 0.00 H ATOM 127 HD2 LYS B 31 -25.607 3.012 3.864 1.00 0.00 H ATOM 128 HD3 LYS B 31 -25.613 2.599 2.133 1.00 0.00 H ATOM 129 HE2 LYS B 31 -28.007 3.752 2.227 1.00 0.00 H ATOM 130 HE3 LYS B 31 -26.518 4.705 2.025 1.00 0.00 H ATOM 131 HZ1 LYS B 31 -27.948 4.237 4.588 1.00 0.00 H ATOM 132 HZ2 LYS B 31 -26.527 5.147 4.395 1.00 0.00 H ATOM 133 HZ3 LYS B 31 -27.975 5.670 3.676 1.00 0.00 H ATOM 134 H LYS B 31 -24.771 -1.712 3.174 1.00 0.00 H ATOM 135 N SER B 32 -26.110 -0.562 6.014 1.00 28.52 N ATOM 136 CA SER B 32 -26.507 -0.514 7.407 1.00 30.75 C ATOM 137 C SER B 32 -25.323 -0.366 8.365 1.00 33.51 C ATOM 138 O SER B 32 -25.455 0.275 9.410 1.00 36.75 O ATOM 139 CB SER B 32 -27.328 -1.753 7.768 1.00 30.52 C ATOM 140 OG SER B 32 -26.489 -2.846 8.064 1.00 35.23 O ATOM 141 HA SER B 32 -27.119 0.380 7.526 1.00 0.00 H ATOM 142 HB2 SER B 32 -27.970 -2.013 6.926 1.00 0.00 H ATOM 143 HB3 SER B 32 -27.945 -1.531 8.639 1.00 0.00 H ATOM 144 HG SER B 32 -25.929 -3.054 7.274 1.00 0.00 H ATOM 145 H SER B 32 -26.397 -1.370 5.426 1.00 0.00 H ATOM 146 N ARG B 33 -24.172 -0.942 8.019 1.00 29.54 N ATOM 147 CA ARG B 33 -23.005 -0.841 8.888 1.00 25.68 C ATOM 148 C ARG B 33 -22.237 0.462 8.684 1.00 27.40 C ATOM 149 O ARG B 33 -21.105 0.592 9.146 1.00 23.95 O ATOM 150 CB ARG B 33 -22.068 -2.038 8.684 1.00 22.72 C ATOM 151 CG ARG B 33 -22.586 -3.358 9.287 1.00 17.33 C ATOM 152 CD ARG B 33 -22.948 -3.234 10.770 1.00 15.21 C ATOM 153 NE ARG B 33 -23.500 -4.477 11.301 1.00 12.44 N ATOM 154 CZ ARG B 33 -22.763 -5.458 11.805 1.00 15.17 C ATOM 155 NH1 ARG B 33 -23.339 -6.559 12.270 1.00 10.05 N ATOM 156 NH2 ARG B 33 -21.438 -5.334 11.842 1.00 14.46 N ATOM 157 HA ARG B 33 -23.378 -0.846 9.912 1.00 0.00 H ATOM 158 HB2 ARG B 33 -21.928 -2.183 7.613 1.00 0.00 H ATOM 159 HB3 ARG B 33 -21.109 -1.804 9.146 1.00 0.00 H ATOM 160 HG2 ARG B 33 -23.474 -3.667 8.736 1.00 0.00 H ATOM 161 HG3 ARG B 33 -21.811 -4.117 9.180 1.00 0.00 H ATOM 162 HD2 ARG B 33 -23.687 -2.441 10.888 1.00 0.00 H ATOM 163 HD3 ARG B 33 -22.050 -2.978 11.332 1.00 0.00 H ATOM 164 HE ARG B 33 -24.532 -4.601 11.283 1.00 0.00 H ATOM 165 HH12 ARG B 33 -22.756 -7.325 12.664 1.00 0.00 H ATOM 166 HH11 ARG B 33 -24.374 -6.657 12.241 1.00 0.00 H ATOM 167 HH22 ARG B 33 -20.855 -6.100 12.236 1.00 0.00 H ATOM 168 HH21 ARG B 33 -20.986 -4.471 11.477 1.00 0.00 H ATOM 169 H ARG B 33 -24.106 -1.467 7.124 1.00 0.00 H ATOM 170 N ASN B 34 -22.856 1.424 7.997 1.00 31.16 N ATOM 171 CA ASN B 34 -22.223 2.721 7.763 1.00 37.14 C ATOM 172 C ASN B 34 -20.955 2.581 6.909 1.00 38.31 C ATOM 173 O ASN B 34 -20.076 3.439 6.947 1.00 42.96 O ATOM 174 CB ASN B 34 -21.892 3.367 9.123 1.00 42.84 C ATOM 175 CG ASN B 34 -21.003 4.606 9.002 1.00 49.82 C ATOM 176 OD1 ASN B 34 -20.086 4.812 9.807 1.00 48.83 O ATOM 177 ND2 ASN B 34 -21.273 5.435 8.000 1.00 52.59 N ATOM 178 HA ASN B 34 -22.914 3.357 7.210 1.00 0.00 H ATOM 179 HB2 ASN B 34 -22.826 3.656 9.606 1.00 0.00 H ATOM 180 HB3 ASN B 34 -21.378 2.631 9.741 1.00 0.00 H ATOM 181 HD22 ASN B 34 -22.053 5.223 7.346 1.00 0.00 H ATOM 182 HD21 ASN B 34 -20.704 6.296 7.869 1.00 0.00 H ATOM 183 H ASN B 34 -23.809 1.247 7.620 1.00 0.00 H ATOM 184 N LEU B 35 -20.856 1.506 6.130 1.00 34.63 N ATOM 185 CA LEU B 35 -19.667 1.279 5.306 1.00 31.96 C ATOM 186 C LEU B 35 -19.678 1.987 3.953 1.00 33.80 C ATOM 187 O LEU B 35 -18.629 2.382 3.436 1.00 35.40 O ATOM 188 CB LEU B 35 -19.460 -0.226 5.091 1.00 25.97 C ATOM 189 CG LEU B 35 -18.837 -0.978 6.271 1.00 21.72 C ATOM 190 CD1 LEU B 35 -19.489 -2.337 6.436 1.00 20.79 C ATOM 191 CD2 LEU B 35 -17.352 -1.125 6.045 1.00 22.28 C ATOM 192 HA LEU B 35 -18.840 1.717 5.866 1.00 0.00 H ATOM 193 HB2 LEU B 35 -20.432 -0.673 4.882 1.00 0.00 H ATOM 194 HB3 LEU B 35 -18.808 -0.356 4.227 1.00 0.00 H ATOM 195 HG LEU B 35 -19.003 -0.411 7.187 1.00 0.00 H ATOM 196 HD21 LEU B 35 -17.179 -1.683 5.125 1.00 0.00 H ATOM 197 HD22 LEU B 35 -16.899 -0.137 5.962 1.00 0.00 H ATOM 198 HD23 LEU B 35 -16.909 -1.660 6.885 1.00 0.00 H ATOM 199 HD11 LEU B 35 -20.555 -2.207 6.621 1.00 0.00 H ATOM 200 HD12 LEU B 35 -19.345 -2.921 5.527 1.00 0.00 H ATOM 201 HD13 LEU B 35 -19.034 -2.857 7.279 1.00 0.00 H ATOM 202 H LEU B 35 -21.635 0.817 6.106 1.00 0.00 H ATOM 203 N THR B 36 -20.853 2.148 3.366 1.00 32.43 N ATOM 204 CA THR B 36 -20.922 2.794 2.072 1.00 32.26 C ATOM 205 C THR B 36 -21.835 4.005 2.110 1.00 32.78 C ATOM 206 O THR B 36 -22.331 4.450 1.083 1.00 33.23 O ATOM 207 CB THR B 36 -21.406 1.808 0.992 1.00 31.55 C ATOM 208 OG1 THR B 36 -22.630 1.197 1.415 1.00 28.17 O ATOM 209 CG2 THR B 36 -20.352 0.724 0.763 1.00 26.82 C ATOM 210 HA THR B 36 -19.916 3.128 1.820 1.00 0.00 H ATOM 211 HB THR B 36 -21.569 2.352 0.062 1.00 0.00 H ATOM 212 HG1 THR B 36 -22.939 0.564 0.719 1.00 0.00 H ATOM 213 HG23 THR B 36 -19.420 1.188 0.441 1.00 0.00 H ATOM 214 HG21 THR B 36 -20.186 0.178 1.692 1.00 0.00 H ATOM 215 HG22 THR B 36 -20.702 0.036 -0.007 1.00 0.00 H ATOM 216 H THR B 36 -21.721 1.813 3.831 1.00 0.00 H ATOM 217 N LYS B 37 -22.039 4.543 3.306 1.00 33.33 N ATOM 218 CA LYS B 37 -22.895 5.703 3.461 1.00 32.75 C ATOM 219 C LYS B 37 -22.302 6.957 2.834 1.00 32.14 C ATOM 220 O LYS B 37 -23.041 7.812 2.352 1.00 33.94 O ATOM 221 CB LYS B 37 -23.188 5.953 4.942 1.00 35.14 C ATOM 222 CG LYS B 37 -24.610 5.576 5.335 1.00 39.43 C ATOM 223 CD LYS B 37 -24.804 5.582 6.851 1.00 46.23 C ATOM 224 CE LYS B 37 -25.963 4.686 7.279 1.00 46.19 C ATOM 225 NZ LYS B 37 -27.209 5.468 7.538 1.00 48.43 N ATOM 226 HA LYS B 37 -23.823 5.483 2.933 1.00 0.00 H ATOM 227 HB2 LYS B 37 -22.493 5.362 5.539 1.00 0.00 H ATOM 228 HB3 LYS B 37 -23.037 7.012 5.153 1.00 0.00 H ATOM 229 HG2 LYS B 37 -25.301 6.291 4.888 1.00 0.00 H ATOM 230 HG3 LYS B 37 -24.828 4.578 4.956 1.00 0.00 H ATOM 231 HD2 LYS B 37 -23.889 5.226 7.325 1.00 0.00 H ATOM 232 HD3 LYS B 37 -25.008 6.602 7.177 1.00 0.00 H ATOM 233 HE2 LYS B 37 -25.682 4.159 8.191 1.00 0.00 H ATOM 234 HE3 LYS B 37 -26.159 3.962 6.488 1.00 0.00 H ATOM 235 HZ1 LYS B 37 -27.033 6.157 8.297 1.00 0.00 H ATOM 236 HZ2 LYS B 37 -27.489 5.970 6.671 1.00 0.00 H ATOM 237 HZ3 LYS B 37 -27.970 4.820 7.826 1.00 0.00 H ATOM 238 H LYS B 37 -21.580 4.128 4.142 1.00 0.00 H ATOM 239 N ASP B 38 -20.977 7.077 2.833 1.00 31.62 N ATOM 240 CA ASP B 38 -20.346 8.264 2.261 1.00 29.76 C ATOM 241 C ASP B 38 -19.329 7.983 1.164 1.00 23.26 C ATOM 242 O ASP B 38 -18.577 8.870 0.764 1.00 18.05 O ATOM 243 CB ASP B 38 -19.694 9.109 3.367 1.00 35.99 C ATOM 244 CG ASP B 38 -19.001 8.271 4.434 1.00 39.10 C ATOM 245 OD1 ASP B 38 -18.616 7.107 4.169 1.00 40.58 O ATOM 246 OD2 ASP B 38 -18.835 8.803 5.552 1.00 44.20 O ATOM 247 HA ASP B 38 -21.157 8.813 1.782 1.00 0.00 H ATOM 248 HB2 ASP B 38 -18.956 9.768 2.910 1.00 0.00 H ATOM 249 HB3 ASP B 38 -20.468 9.709 3.846 1.00 0.00 H ATOM 250 H ASP B 38 -20.388 6.323 3.241 1.00 0.00 H ATOM 251 N ARG B 39 -19.324 6.745 0.684 1.00 21.12 N ATOM 252 CA ARG B 39 -18.431 6.316 -0.374 1.00 25.60 C ATOM 253 C ARG B 39 -18.679 4.834 -0.620 1.00 26.28 C ATOM 254 O ARG B 39 -19.465 4.201 0.089 1.00 22.93 O ATOM 255 CB ARG B 39 -16.982 6.530 0.045 1.00 34.03 C ATOM 256 CG ARG B 39 -16.523 5.630 1.173 1.00 42.66 C ATOM 257 CD ARG B 39 -15.223 4.935 0.825 1.00 52.64 C ATOM 258 NE ARG B 39 -14.959 3.823 1.731 1.00 65.77 N ATOM 259 CZ ARG B 39 -13.926 2.992 1.618 1.00 71.31 C ATOM 260 NH1 ARG B 39 -13.768 2.007 2.492 1.00 74.14 N ATOM 261 NH2 ARG B 39 -13.052 3.140 0.626 1.00 73.15 N ATOM 262 HA ARG B 39 -18.616 6.893 -1.280 1.00 0.00 H ATOM 263 HB2 ARG B 39 -16.345 6.346 -0.820 1.00 0.00 H ATOM 264 HB3 ARG B 39 -16.868 7.566 0.365 1.00 0.00 H ATOM 265 HG2 ARG B 39 -16.376 6.231 2.070 1.00 0.00 H ATOM 266 HG3 ARG B 39 -17.289 4.878 1.362 1.00 0.00 H ATOM 267 HD2 ARG B 39 -14.406 5.653 0.896 1.00 0.00 H ATOM 268 HD3 ARG B 39 -15.284 4.556 -0.195 1.00 0.00 H ATOM 269 HE ARG B 39 -15.622 3.669 2.517 1.00 0.00 H ATOM 270 HH12 ARG B 39 -12.960 1.358 2.403 1.00 0.00 H ATOM 271 HH11 ARG B 39 -14.452 1.884 3.266 1.00 0.00 H ATOM 272 HH22 ARG B 39 -12.246 2.488 0.541 1.00 0.00 H ATOM 273 HH21 ARG B 39 -13.175 3.908 -0.065 1.00 0.00 H ATOM 274 H ARG B 39 -19.990 6.053 1.084 1.00 0.00 H ATOM 275 N CYS B 40 -18.017 4.279 -1.630 1.00 26.71 N ATOM 276 CA CYS B 40 -18.171 2.864 -1.952 1.00 29.06 C ATOM 277 C CYS B 40 -16.897 2.131 -1.588 1.00 28.98 C ATOM 278 O CYS B 40 -15.851 2.362 -2.187 1.00 33.79 O ATOM 279 CB CYS B 40 -18.440 2.659 -3.443 1.00 27.05 C ATOM 280 SG CYS B 40 -19.954 3.425 -4.109 1.00 26.42 S ATOM 281 HA CYS B 40 -19.019 2.477 -1.386 1.00 0.00 H ATOM 282 HB2 CYS B 40 -18.504 1.586 -3.624 1.00 0.00 H ATOM 283 HB3 CYS B 40 -17.592 3.069 -3.992 1.00 0.00 H ATOM 284 H CYS B 40 -17.376 4.865 -2.202 1.00 0.00 H ATOM 285 N LYS B 41 -16.986 1.257 -0.594 1.00 30.55 N ATOM 286 CA LYS B 41 -15.834 0.469 -0.171 1.00 26.89 C ATOM 287 C LYS B 41 -15.659 -0.612 -1.234 1.00 23.83 C ATOM 288 O LYS B 41 -16.585 -1.362 -1.520 1.00 26.93 O ATOM 289 CB LYS B 41 -16.124 -0.158 1.189 1.00 26.85 C ATOM 290 CG LYS B 41 -14.923 -0.760 1.863 1.00 35.26 C ATOM 291 CD LYS B 41 -15.142 -0.890 3.363 1.00 37.20 C ATOM 292 CE LYS B 41 -13.822 -1.059 4.096 1.00 42.41 C ATOM 293 NZ LYS B 41 -13.308 -2.443 3.952 1.00 48.23 N ATOM 294 HA LYS B 41 -14.932 1.073 -0.072 1.00 0.00 H ATOM 295 HB2 LYS B 41 -16.530 0.615 1.842 1.00 0.00 H ATOM 296 HB3 LYS B 41 -16.868 -0.943 1.051 1.00 0.00 H ATOM 297 HG2 LYS B 41 -14.738 -1.749 1.443 1.00 0.00 H ATOM 298 HG3 LYS B 41 -14.057 -0.122 1.684 1.00 0.00 H ATOM 299 HD2 LYS B 41 -15.641 0.007 3.729 1.00 0.00 H ATOM 300 HD3 LYS B 41 -15.771 -1.759 3.557 1.00 0.00 H ATOM 301 HE2 LYS B 41 -13.971 -0.842 5.154 1.00 0.00 H ATOM 302 HE3 LYS B 41 -13.093 -0.363 3.683 1.00 0.00 H ATOM 303 HZ1 LYS B 41 -13.999 -3.111 4.349 1.00 0.00 H ATOM 304 HZ2 LYS B 41 -13.160 -2.653 2.944 1.00 0.00 H ATOM 305 HZ3 LYS B 41 -12.406 -2.531 4.462 1.00 0.00 H ATOM 306 H LYS B 41 -17.896 1.131 -0.106 1.00 0.00 H ATOM 307 N PRO B 42 -14.477 -0.685 -1.857 1.00 19.95 N ATOM 308 CA PRO B 42 -14.225 -1.682 -2.898 1.00 19.61 C ATOM 309 C PRO B 42 -14.452 -3.138 -2.492 1.00 21.34 C ATOM 310 O PRO B 42 -15.009 -3.921 -3.251 1.00 24.57 O ATOM 311 CB PRO B 42 -12.774 -1.419 -3.306 1.00 21.95 C ATOM 312 CG PRO B 42 -12.506 -0.004 -2.868 1.00 23.69 C ATOM 313 CD PRO B 42 -13.304 0.175 -1.620 1.00 19.89 C ATOM 314 HA PRO B 42 -14.943 -1.568 -3.710 1.00 0.00 H ATOM 315 HD3 PRO B 42 -12.745 -0.156 -0.745 1.00 0.00 H ATOM 316 HD2 PRO B 42 -13.600 1.216 -1.489 1.00 0.00 H ATOM 317 HG3 PRO B 42 -12.829 0.701 -3.634 1.00 0.00 H ATOM 318 HG2 PRO B 42 -11.444 0.140 -2.668 1.00 0.00 H ATOM 319 HB2 PRO B 42 -12.101 -2.112 -2.802 1.00 0.00 H ATOM 320 HB3 PRO B 42 -12.654 -1.517 -4.385 1.00 0.00 H ATOM 321 N VAL B 43 -14.028 -3.508 -1.294 1.00 21.14 N ATOM 322 CA VAL B 43 -14.197 -4.882 -0.856 1.00 17.75 C ATOM 323 C VAL B 43 -14.286 -4.964 0.665 1.00 19.82 C ATOM 324 O VAL B 43 -13.718 -4.144 1.384 1.00 21.69 O ATOM 325 CB VAL B 43 -13.023 -5.759 -1.376 1.00 13.13 C ATOM 326 CG1 VAL B 43 -11.715 -5.083 -1.083 1.00 10.48 C ATOM 327 CG2 VAL B 43 -13.059 -7.134 -0.738 1.00 6.24 C ATOM 328 HA VAL B 43 -15.132 -5.260 -1.271 1.00 0.00 H ATOM 329 HB VAL B 43 -13.128 -5.881 -2.454 1.00 0.00 H ATOM 330 HG11 VAL B 43 -11.689 -4.113 -1.580 1.00 0.00 H ATOM 331 HG12 VAL B 43 -11.613 -4.944 -0.007 1.00 0.00 H ATOM 332 HG13 VAL B 43 -10.897 -5.703 -1.450 1.00 0.00 H ATOM 333 HG21 VAL B 43 -12.973 -7.034 0.344 1.00 0.00 H ATOM 334 HG22 VAL B 43 -14.001 -7.623 -0.985 1.00 0.00 H ATOM 335 HG23 VAL B 43 -12.229 -7.730 -1.116 1.00 0.00 H ATOM 336 H VAL B 43 -13.574 -2.814 -0.666 1.00 0.00 H ATOM 337 N ASN B 44 -15.026 -5.948 1.151 1.00 18.90 N ATOM 338 CA ASN B 44 -15.179 -6.147 2.574 1.00 19.63 C ATOM 339 C ASN B 44 -15.762 -7.520 2.869 1.00 19.00 C ATOM 340 O ASN B 44 -16.759 -7.921 2.268 1.00 20.12 O ATOM 341 CB ASN B 44 -16.085 -5.078 3.165 1.00 18.51 C ATOM 342 CG ASN B 44 -16.115 -5.135 4.676 1.00 19.61 C ATOM 343 OD1 ASN B 44 -15.239 -4.580 5.347 1.00 21.06 O ATOM 344 ND2 ASN B 44 -17.113 -5.824 5.225 1.00 21.29 N ATOM 345 HA ASN B 44 -14.191 -6.076 3.029 1.00 0.00 H ATOM 346 HB2 ASN B 44 -15.722 -4.098 2.856 1.00 0.00 H ATOM 347 HB3 ASN B 44 -17.097 -5.225 2.787 1.00 0.00 H ATOM 348 HD22 ASN B 44 -17.828 -6.275 4.620 1.00 0.00 H ATOM 349 HD21 ASN B 44 -17.177 -5.911 6.259 1.00 0.00 H ATOM 350 H ASN B 44 -15.509 -6.593 0.493 1.00 0.00 H ATOM 351 N THR B 45 -15.154 -8.227 3.816 1.00 16.36 N ATOM 352 CA THR B 45 -15.619 -9.559 4.199 1.00 18.62 C ATOM 353 C THR B 45 -16.412 -9.553 5.509 1.00 18.04 C ATOM 354 O THR B 45 -16.110 -8.793 6.426 1.00 19.49 O ATOM 355 CB THR B 45 -14.425 -10.521 4.355 1.00 18.79 C ATOM 356 OG1 THR B 45 -13.579 -10.415 3.199 1.00 19.46 O ATOM 357 CG2 THR B 45 -14.909 -11.951 4.521 1.00 13.74 C ATOM 358 HA THR B 45 -16.280 -9.894 3.400 1.00 0.00 H ATOM 359 HB THR B 45 -13.860 -10.248 5.247 1.00 0.00 H ATOM 360 HG1 THR B 45 -13.249 -9.485 3.117 1.00 0.00 H ATOM 361 HG23 THR B 45 -15.549 -12.017 5.401 1.00 0.00 H ATOM 362 HG21 THR B 45 -15.473 -12.247 3.637 1.00 0.00 H ATOM 363 HG22 THR B 45 -14.051 -12.612 4.644 1.00 0.00 H ATOM 364 H THR B 45 -14.326 -7.822 4.297 1.00 0.00 H ATOM 365 N PHE B 46 -17.423 -10.409 5.592 1.00 16.30 N ATOM 366 CA PHE B 46 -18.231 -10.524 6.802 1.00 17.63 C ATOM 367 C PHE B 46 -18.058 -11.928 7.365 1.00 17.06 C ATOM 368 O PHE B 46 -18.102 -12.899 6.613 1.00 17.21 O ATOM 369 CB PHE B 46 -19.712 -10.274 6.495 1.00 15.56 C ATOM 370 CG PHE B 46 -20.039 -8.829 6.271 1.00 16.81 C ATOM 371 CD1 PHE B 46 -20.079 -7.941 7.335 1.00 13.96 C ATOM 372 CD2 PHE B 46 -20.275 -8.353 4.988 1.00 18.89 C ATOM 373 CE1 PHE B 46 -20.346 -6.598 7.124 1.00 14.45 C ATOM 374 CE2 PHE B 46 -20.540 -7.019 4.768 1.00 14.32 C ATOM 375 CZ PHE B 46 -20.575 -6.136 5.842 1.00 18.61 C ATOM 376 HA PHE B 46 -17.903 -9.778 7.526 1.00 0.00 H ATOM 377 HB2 PHE B 46 -19.978 -10.832 5.597 1.00 0.00 H ATOM 378 HB3 PHE B 46 -20.305 -10.636 7.335 1.00 0.00 H ATOM 379 HD2 PHE B 46 -20.250 -9.043 4.145 1.00 0.00 H ATOM 380 HE2 PHE B 46 -20.722 -6.657 3.756 1.00 0.00 H ATOM 381 HZ PHE B 46 -20.783 -5.080 5.672 1.00 0.00 H ATOM 382 HE1 PHE B 46 -20.375 -5.908 7.967 1.00 0.00 H ATOM 383 HD1 PHE B 46 -19.899 -8.303 8.347 1.00 0.00 H ATOM 384 H PHE B 46 -17.645 -11.013 4.775 1.00 0.00 H ATOM 385 N VAL B 47 -17.867 -12.029 8.679 1.00 17.56 N ATOM 386 CA VAL B 47 -17.690 -13.325 9.339 1.00 17.19 C ATOM 387 C VAL B 47 -18.946 -13.688 10.127 1.00 17.57 C ATOM 388 O VAL B 47 -19.374 -12.936 11.005 1.00 16.08 O ATOM 389 CB VAL B 47 -16.485 -13.310 10.317 1.00 15.43 C ATOM 390 CG1 VAL B 47 -16.192 -14.726 10.807 1.00 16.23 C ATOM 391 CG2 VAL B 47 -15.260 -12.726 9.638 1.00 15.14 C ATOM 392 HA VAL B 47 -17.502 -14.062 8.558 1.00 0.00 H ATOM 393 HB VAL B 47 -16.737 -12.685 11.174 1.00 0.00 H ATOM 394 HG11 VAL B 47 -17.068 -15.119 11.323 1.00 0.00 H ATOM 395 HG12 VAL B 47 -15.955 -15.362 9.954 1.00 0.00 H ATOM 396 HG13 VAL B 47 -15.345 -14.704 11.493 1.00 0.00 H ATOM 397 HG21 VAL B 47 -15.005 -13.332 8.768 1.00 0.00 H ATOM 398 HG22 VAL B 47 -15.474 -11.705 9.321 1.00 0.00 H ATOM 399 HG23 VAL B 47 -14.425 -12.723 10.338 1.00 0.00 H ATOM 400 H VAL B 47 -17.843 -11.162 9.254 1.00 0.00 H ATOM 401 N HIS B 48 -19.529 -14.845 9.816 1.00 18.39 N ATOM 402 CA HIS B 48 -20.752 -15.288 10.474 1.00 19.07 C ATOM 403 C HIS B 48 -20.523 -16.238 11.630 1.00 21.33 C ATOM 404 O HIS B 48 -21.332 -17.131 11.878 1.00 31.59 O ATOM 405 CB HIS B 48 -21.694 -15.931 9.457 1.00 17.89 C ATOM 406 CG HIS B 48 -21.918 -15.094 8.236 1.00 24.19 C ATOM 407 ND1 HIS B 48 -22.833 -14.062 8.197 1.00 25.29 N ATOM 408 CD2 HIS B 48 -21.342 -15.134 7.010 1.00 22.54 C ATOM 409 CE1 HIS B 48 -22.807 -13.499 7.003 1.00 26.97 C ATOM 410 NE2 HIS B 48 -21.912 -14.131 6.264 1.00 24.50 N ATOM 411 HA HIS B 48 -21.202 -14.391 10.900 1.00 0.00 H ATOM 412 HB2 HIS B 48 -21.268 -16.886 9.148 1.00 0.00 H ATOM 413 HB3 HIS B 48 -22.656 -16.103 9.939 1.00 0.00 H ATOM 414 HD2 HIS B 48 -20.572 -15.830 6.678 1.00 0.00 H ATOM 415 HE1 HIS B 48 -23.419 -12.657 6.682 1.00 0.00 H ATOM 416 H HIS B 48 -19.100 -15.448 9.085 1.00 0.00 H ATOM 417 N GLU B 49 -19.415 -16.049 12.334 1.00 24.07 N ATOM 418 CA GLU B 49 -19.106 -16.866 13.494 1.00 19.62 C ATOM 419 C GLU B 49 -19.308 -15.914 14.671 1.00 23.31 C ATOM 420 O GLU B 49 -19.411 -14.697 14.472 1.00 24.89 O ATOM 421 CB GLU B 49 -17.653 -17.352 13.438 1.00 17.64 C ATOM 422 CG GLU B 49 -17.321 -18.217 12.220 1.00 17.71 C ATOM 423 CD GLU B 49 -18.167 -19.484 12.143 1.00 21.38 C ATOM 424 OE1 GLU B 49 -18.261 -20.081 11.053 1.00 17.72 O ATOM 425 OE2 GLU B 49 -18.745 -19.878 13.175 1.00 25.64 O ATOM 426 HA GLU B 49 -19.726 -17.760 13.561 1.00 0.00 H ATOM 427 HB2 GLU B 49 -17.002 -16.478 13.423 1.00 0.00 H ATOM 428 HB3 GLU B 49 -17.454 -17.937 14.336 1.00 0.00 H ATOM 429 HG2 GLU B 49 -17.492 -17.629 11.318 1.00 0.00 H ATOM 430 HG3 GLU B 49 -16.270 -18.503 12.272 1.00 0.00 H ATOM 431 H GLU B 49 -18.753 -15.299 12.049 1.00 0.00 H ATOM 432 N SER B 50 -19.375 -16.451 15.886 1.00 19.97 N ATOM 433 CA SER B 50 -19.560 -15.613 17.062 1.00 18.21 C ATOM 434 C SER B 50 -18.332 -14.735 17.271 1.00 16.97 C ATOM 435 O SER B 50 -17.247 -15.068 16.814 1.00 19.53 O ATOM 436 CB SER B 50 -19.786 -16.491 18.292 1.00 21.64 C ATOM 437 OG SER B 50 -18.582 -17.147 18.669 1.00 30.36 O ATOM 438 HA SER B 50 -20.432 -14.976 16.913 1.00 0.00 H ATOM 439 HB2 SER B 50 -20.545 -17.239 18.063 1.00 0.00 H ATOM 440 HB3 SER B 50 -20.129 -15.868 19.118 1.00 0.00 H ATOM 441 HG SER B 50 -18.750 -17.710 19.466 1.00 0.00 H ATOM 442 H SER B 50 -19.294 -17.482 15.997 1.00 0.00 H ATOM 443 N LEU B 51 -18.497 -13.614 17.960 1.00 13.49 N ATOM 444 CA LEU B 51 -17.364 -12.727 18.192 1.00 18.52 C ATOM 445 C LEU B 51 -16.315 -13.395 19.072 1.00 17.78 C ATOM 446 O LEU B 51 -15.112 -13.198 18.890 1.00 20.44 O ATOM 447 CB LEU B 51 -17.846 -11.414 18.827 1.00 22.50 C ATOM 448 CG LEU B 51 -16.806 -10.364 19.254 1.00 25.73 C ATOM 449 CD1 LEU B 51 -15.941 -9.952 18.070 1.00 23.46 C ATOM 450 CD2 LEU B 51 -17.520 -9.165 19.858 1.00 24.49 C ATOM 451 HA LEU B 51 -16.899 -12.505 17.231 1.00 0.00 H ATOM 452 HB2 LEU B 51 -18.507 -10.934 18.105 1.00 0.00 H ATOM 453 HB3 LEU B 51 -18.415 -11.680 19.718 1.00 0.00 H ATOM 454 HG LEU B 51 -16.145 -10.795 20.006 1.00 0.00 H ATOM 455 HD21 LEU B 51 -18.192 -8.733 19.117 1.00 0.00 H ATOM 456 HD22 LEU B 51 -18.094 -9.486 20.728 1.00 0.00 H ATOM 457 HD23 LEU B 51 -16.784 -8.420 20.161 1.00 0.00 H ATOM 458 HD11 LEU B 51 -15.420 -10.827 17.680 1.00 0.00 H ATOM 459 HD12 LEU B 51 -16.573 -9.527 17.291 1.00 0.00 H ATOM 460 HD13 LEU B 51 -15.213 -9.209 18.395 1.00 0.00 H ATOM 461 H LEU B 51 -19.435 -13.368 18.335 1.00 0.00 H ATOM 462 N ALA B 52 -16.768 -14.192 20.030 1.00 20.63 N ATOM 463 CA ALA B 52 -15.855 -14.882 20.930 1.00 20.73 C ATOM 464 C ALA B 52 -14.953 -15.835 20.153 1.00 17.66 C ATOM 465 O ALA B 52 -13.760 -15.932 20.410 1.00 17.25 O ATOM 466 CB ALA B 52 -16.643 -15.653 21.987 1.00 23.99 C ATOM 467 HA ALA B 52 -15.230 -14.138 21.424 1.00 0.00 H ATOM 468 HB1 ALA B 52 -17.255 -14.957 22.561 1.00 0.00 H ATOM 469 HB2 ALA B 52 -17.285 -16.385 21.497 1.00 0.00 H ATOM 470 HB3 ALA B 52 -15.949 -16.165 22.654 1.00 0.00 H ATOM 471 H ALA B 52 -17.793 -14.327 20.140 1.00 0.00 H ATOM 472 N ASP B 53 -15.532 -16.539 19.194 1.00 18.38 N ATOM 473 CA ASP B 53 -14.775 -17.478 18.379 1.00 21.66 C ATOM 474 C ASP B 53 -13.798 -16.815 17.398 1.00 22.44 C ATOM 475 O ASP B 53 -12.787 -17.412 17.013 1.00 18.66 O ATOM 476 CB ASP B 53 -15.741 -18.377 17.614 1.00 21.49 C ATOM 477 CG ASP B 53 -16.420 -19.374 18.511 1.00 21.86 C ATOM 478 OD1 ASP B 53 -16.090 -19.413 19.720 1.00 23.73 O ATOM 479 OD2 ASP B 53 -17.282 -20.117 18.009 1.00 21.32 O ATOM 480 HA ASP B 53 -14.161 -18.057 19.069 1.00 0.00 H ATOM 481 HB2 ASP B 53 -16.501 -17.755 17.142 1.00 0.00 H ATOM 482 HB3 ASP B 53 -15.186 -18.916 16.846 1.00 0.00 H ATOM 483 H ASP B 53 -16.550 -16.419 19.019 1.00 0.00 H ATOM 484 N VAL B 54 -14.109 -15.593 16.979 1.00 20.39 N ATOM 485 CA VAL B 54 -13.231 -14.884 16.062 1.00 20.24 C ATOM 486 C VAL B 54 -12.090 -14.251 16.846 1.00 21.33 C ATOM 487 O VAL B 54 -10.972 -14.114 16.337 1.00 21.97 O ATOM 488 CB VAL B 54 -13.988 -13.788 15.308 1.00 20.47 C ATOM 489 CG1 VAL B 54 -12.995 -12.904 14.543 1.00 13.72 C ATOM 490 CG2 VAL B 54 -14.998 -14.425 14.366 1.00 19.50 C ATOM 491 HA VAL B 54 -12.844 -15.600 15.337 1.00 0.00 H ATOM 492 HB VAL B 54 -14.528 -13.157 16.014 1.00 0.00 H ATOM 493 HG11 VAL B 54 -12.302 -12.445 15.248 1.00 0.00 H ATOM 494 HG12 VAL B 54 -12.440 -13.515 13.831 1.00 0.00 H ATOM 495 HG13 VAL B 54 -13.540 -12.126 14.009 1.00 0.00 H ATOM 496 HG21 VAL B 54 -14.476 -15.063 13.653 1.00 0.00 H ATOM 497 HG22 VAL B 54 -15.703 -15.024 14.942 1.00 0.00 H ATOM 498 HG23 VAL B 54 -15.536 -13.643 13.830 1.00 0.00 H ATOM 499 H VAL B 54 -14.986 -15.141 17.309 1.00 0.00 H ATOM 500 N GLN B 55 -12.375 -13.859 18.087 1.00 21.15 N ATOM 501 CA GLN B 55 -11.375 -13.253 18.959 1.00 19.60 C ATOM 502 C GLN B 55 -10.343 -14.308 19.398 1.00 20.71 C ATOM 503 O GLN B 55 -9.176 -13.992 19.650 1.00 20.21 O ATOM 504 CB GLN B 55 -12.056 -12.648 20.185 1.00 20.27 C ATOM 505 CG GLN B 55 -12.719 -11.308 19.928 1.00 21.36 C ATOM 506 CD GLN B 55 -13.512 -10.811 21.128 1.00 24.45 C ATOM 507 OE1 GLN B 55 -13.933 -11.595 21.977 1.00 25.63 O ATOM 508 NE2 GLN B 55 -13.722 -9.501 21.203 1.00 31.44 N ATOM 509 HA GLN B 55 -10.859 -12.465 18.411 1.00 0.00 H ATOM 510 HB2 GLN B 55 -12.818 -13.346 20.533 1.00 0.00 H ATOM 511 HB3 GLN B 55 -11.305 -12.515 20.963 1.00 0.00 H ATOM 512 HG2 GLN B 55 -11.947 -10.576 19.691 1.00 0.00 H ATOM 513 HG3 GLN B 55 -13.395 -11.409 19.079 1.00 0.00 H ATOM 514 HE22 GLN B 55 -13.349 -8.871 20.464 1.00 0.00 H ATOM 515 HE21 GLN B 55 -14.259 -9.105 22.001 1.00 0.00 H ATOM 516 H GLN B 55 -13.342 -13.989 18.446 1.00 0.00 H ATOM 517 N ALA B 56 -10.780 -15.563 19.455 1.00 16.64 N ATOM 518 CA ALA B 56 -9.925 -16.673 19.859 1.00 15.96 C ATOM 519 C ALA B 56 -8.832 -16.978 18.834 1.00 15.73 C ATOM 520 O ALA B 56 -7.860 -17.664 19.141 1.00 15.44 O ATOM 521 CB ALA B 56 -10.772 -17.917 20.103 1.00 14.14 C ATOM 522 HA ALA B 56 -9.425 -16.375 20.781 1.00 0.00 H ATOM 523 HB1 ALA B 56 -11.495 -17.713 20.892 1.00 0.00 H ATOM 524 HB2 ALA B 56 -11.298 -18.182 19.186 1.00 0.00 H ATOM 525 HB3 ALA B 56 -10.126 -18.742 20.404 1.00 0.00 H ATOM 526 H ALA B 56 -11.769 -15.760 19.202 1.00 0.00 H ATOM 527 N VAL B 57 -8.993 -16.464 17.619 1.00 18.49 N ATOM 528 CA VAL B 57 -8.014 -16.697 16.561 1.00 18.25 C ATOM 529 C VAL B 57 -6.681 -16.009 16.888 1.00 21.95 C ATOM 530 O VAL B 57 -5.624 -16.426 16.414 1.00 20.74 O ATOM 531 CB VAL B 57 -8.548 -16.188 15.184 1.00 17.67 C ATOM 532 CG1 VAL B 57 -7.500 -16.375 14.116 1.00 10.65 C ATOM 533 CG2 VAL B 57 -9.818 -16.954 14.787 1.00 11.29 C ATOM 534 HA VAL B 57 -7.848 -17.772 16.496 1.00 0.00 H ATOM 535 HB VAL B 57 -8.782 -15.128 15.279 1.00 0.00 H ATOM 536 HG11 VAL B 57 -6.606 -15.811 14.383 1.00 0.00 H ATOM 537 HG12 VAL B 57 -7.252 -17.433 14.033 1.00 0.00 H ATOM 538 HG13 VAL B 57 -7.887 -16.016 13.162 1.00 0.00 H ATOM 539 HG21 VAL B 57 -9.590 -18.017 14.709 1.00 0.00 H ATOM 540 HG22 VAL B 57 -10.586 -16.800 15.545 1.00 0.00 H ATOM 541 HG23 VAL B 57 -10.177 -16.587 13.825 1.00 0.00 H ATOM 542 H VAL B 57 -9.833 -15.884 17.418 1.00 0.00 H ATOM 543 N CYS B 58 -6.741 -14.974 17.726 1.00 23.00 N ATOM 544 CA CYS B 58 -5.553 -14.219 18.115 1.00 20.08 C ATOM 545 C CYS B 58 -4.574 -15.021 18.962 1.00 20.26 C ATOM 546 O CYS B 58 -3.513 -14.512 19.337 1.00 18.43 O ATOM 547 CB CYS B 58 -5.959 -12.952 18.863 1.00 17.94 C ATOM 548 SG CYS B 58 -6.691 -11.686 17.786 1.00 20.88 S ATOM 549 HA CYS B 58 -5.035 -13.966 17.190 1.00 0.00 H ATOM 550 HB2 CYS B 58 -5.073 -12.532 19.339 1.00 0.00 H ATOM 551 HB3 CYS B 58 -6.688 -13.220 19.628 1.00 0.00 H ATOM 552 H CYS B 58 -7.664 -14.695 18.116 1.00 0.00 H ATOM 553 N SER B 59 -4.929 -16.264 19.272 1.00 16.67 N ATOM 554 CA SER B 59 -4.045 -17.140 20.035 1.00 18.70 C ATOM 555 C SER B 59 -3.856 -18.459 19.291 1.00 17.32 C ATOM 556 O SER B 59 -3.437 -19.449 19.882 1.00 20.24 O ATOM 557 CB SER B 59 -4.607 -17.420 21.431 1.00 14.92 C ATOM 558 OG SER B 59 -5.939 -17.907 21.374 1.00 17.32 O ATOM 559 HA SER B 59 -3.086 -16.635 20.146 1.00 0.00 H ATOM 560 HB2 SER B 59 -4.593 -16.496 22.009 1.00 0.00 H ATOM 561 HB3 SER B 59 -3.980 -18.164 21.922 1.00 0.00 H ATOM 562 HG SER B 59 -6.517 -17.234 20.935 1.00 0.00 H ATOM 563 H SER B 59 -5.856 -16.620 18.964 1.00 0.00 H ATOM 564 N GLN B 60 -4.167 -18.468 17.997 1.00 19.13 N ATOM 565 CA GLN B 60 -4.034 -19.680 17.195 1.00 19.74 C ATOM 566 C GLN B 60 -2.735 -19.721 16.384 1.00 22.75 C ATOM 567 O GLN B 60 -1.665 -19.489 16.949 1.00 22.05 O ATOM 568 CB GLN B 60 -5.291 -19.851 16.328 1.00 17.21 C ATOM 569 CG GLN B 60 -6.555 -19.566 17.151 1.00 18.69 C ATOM 570 CD GLN B 60 -7.800 -20.328 16.736 1.00 18.52 C ATOM 571 OE1 GLN B 60 -7.880 -20.897 15.652 1.00 22.10 O ATOM 572 NE2 GLN B 60 -8.794 -20.332 17.616 1.00 20.59 N ATOM 573 HA GLN B 60 -3.958 -20.535 17.867 1.00 0.00 H ATOM 574 HB2 GLN B 60 -5.245 -19.157 15.489 1.00 0.00 H ATOM 575 HB3 GLN B 60 -5.331 -20.873 15.951 1.00 0.00 H ATOM 576 HG2 GLN B 60 -6.341 -19.816 18.190 1.00 0.00 H ATOM 577 HG3 GLN B 60 -6.773 -18.501 17.072 1.00 0.00 H ATOM 578 HE22 GLN B 60 -8.686 -19.837 18.524 1.00 0.00 H ATOM 579 HE21 GLN B 60 -9.680 -20.830 17.397 1.00 0.00 H ATOM 580 H GLN B 60 -4.511 -17.595 17.549 1.00 0.00 H ATOM 581 N LYS B 61 -2.799 -20.018 15.084 1.00 23.36 N ATOM 582 CA LYS B 61 -1.583 -20.111 14.272 1.00 24.70 C ATOM 583 C LYS B 61 -0.958 -18.774 13.855 1.00 24.06 C ATOM 584 O LYS B 61 -1.543 -18.018 13.092 1.00 25.69 O ATOM 585 CB LYS B 61 -1.851 -20.956 13.023 1.00 26.96 C ATOM 586 CG LYS B 61 -0.666 -21.043 12.060 1.00 39.90 C ATOM 587 CD LYS B 61 0.540 -21.756 12.683 1.00 48.49 C ATOM 588 CE LYS B 61 1.690 -21.915 11.679 1.00 51.72 C ATOM 589 NZ LYS B 61 2.448 -23.198 11.847 1.00 54.02 N ATOM 590 HA LYS B 61 -0.850 -20.582 14.927 1.00 0.00 H ATOM 591 HB2 LYS B 61 -2.108 -21.966 13.342 1.00 0.00 H ATOM 592 HB3 LYS B 61 -2.695 -20.519 12.489 1.00 0.00 H ATOM 593 HG2 LYS B 61 -0.976 -21.591 11.171 1.00 0.00 H ATOM 594 HG3 LYS B 61 -0.369 -20.033 11.777 1.00 0.00 H ATOM 595 HD2 LYS B 61 0.893 -21.174 13.535 1.00 0.00 H ATOM 596 HD3 LYS B 61 0.229 -22.744 13.023 1.00 0.00 H ATOM 597 HE2 LYS B 61 2.382 -21.083 11.810 1.00 0.00 H ATOM 598 HE3 LYS B 61 1.277 -21.886 10.671 1.00 0.00 H ATOM 599 HZ1 LYS B 61 2.857 -23.235 12.802 1.00 0.00 H ATOM 600 HZ2 LYS B 61 1.801 -24.001 11.714 1.00 0.00 H ATOM 601 HZ3 LYS B 61 3.210 -23.244 11.140 1.00 0.00 H ATOM 602 H LYS B 61 -3.725 -20.186 14.641 1.00 0.00 H ATOM 603 N ASN B 62 0.246 -18.495 14.349 1.00 22.51 N ATOM 604 CA ASN B 62 0.927 -17.254 14.008 1.00 22.38 C ATOM 605 C ASN B 62 1.528 -17.328 12.617 1.00 24.16 C ATOM 606 O ASN B 62 2.256 -18.267 12.277 1.00 23.89 O ATOM 607 CB ASN B 62 2.030 -16.931 15.015 1.00 22.61 C ATOM 608 CG ASN B 62 2.657 -15.556 14.777 1.00 26.47 C ATOM 609 OD1 ASN B 62 3.854 -15.376 14.972 1.00 29.46 O ATOM 610 ND2 ASN B 62 1.850 -14.578 14.361 1.00 22.55 N ATOM 611 HA ASN B 62 0.179 -16.461 14.035 1.00 0.00 H ATOM 612 HB2 ASN B 62 1.605 -16.953 16.018 1.00 0.00 H ATOM 613 HB3 ASN B 62 2.809 -17.689 14.936 1.00 0.00 H ATOM 614 HD22 ASN B 62 0.839 -14.768 14.206 1.00 0.00 H ATOM 615 HD21 ASN B 62 2.232 -13.626 14.192 1.00 0.00 H ATOM 616 H ASN B 62 0.707 -19.174 14.988 1.00 0.00 H ATOM 617 N VAL B 63 1.214 -16.317 11.819 1.00 24.95 N ATOM 618 CA VAL B 63 1.694 -16.226 10.452 1.00 25.67 C ATOM 619 C VAL B 63 2.030 -14.775 10.132 1.00 27.42 C ATOM 620 O VAL B 63 1.714 -13.875 10.905 1.00 29.05 O ATOM 621 CB VAL B 63 0.616 -16.739 9.457 1.00 26.27 C ATOM 622 CG1 VAL B 63 0.334 -18.235 9.713 1.00 25.15 C ATOM 623 CG2 VAL B 63 -0.673 -15.892 9.580 1.00 18.15 C ATOM 624 HA VAL B 63 2.585 -16.846 10.351 1.00 0.00 H ATOM 625 HB VAL B 63 0.987 -16.634 8.437 1.00 0.00 H ATOM 626 HG11 VAL B 63 1.252 -18.805 9.575 1.00 0.00 H ATOM 627 HG12 VAL B 63 -0.026 -18.366 10.733 1.00 0.00 H ATOM 628 HG13 VAL B 63 -0.423 -18.586 9.011 1.00 0.00 H ATOM 629 HG21 VAL B 63 -1.060 -15.968 10.596 1.00 0.00 H ATOM 630 HG22 VAL B 63 -0.445 -14.851 9.353 1.00 0.00 H ATOM 631 HG23 VAL B 63 -1.419 -16.263 8.877 1.00 0.00 H ATOM 632 H VAL B 63 0.601 -15.561 12.186 1.00 0.00 H ATOM 633 N ALA B 64 2.680 -14.559 8.994 1.00 30.14 N ATOM 634 CA ALA B 64 3.026 -13.206 8.576 1.00 31.53 C ATOM 635 C ALA B 64 1.889 -12.624 7.753 1.00 30.40 C ATOM 636 O ALA B 64 1.299 -13.304 6.916 1.00 31.16 O ATOM 637 CB ALA B 64 4.315 -13.210 7.747 1.00 30.10 C ATOM 638 HA ALA B 64 3.187 -12.595 9.464 1.00 0.00 H ATOM 639 HB1 ALA B 64 5.130 -13.614 8.347 1.00 0.00 H ATOM 640 HB2 ALA B 64 4.174 -13.829 6.861 1.00 0.00 H ATOM 641 HB3 ALA B 64 4.555 -12.190 7.446 1.00 0.00 H ATOM 642 H ALA B 64 2.946 -15.365 8.393 1.00 0.00 H ATOM 643 N CYS B 65 1.555 -11.374 8.031 1.00 31.26 N ATOM 644 CA CYS B 65 0.521 -10.684 7.279 1.00 30.73 C ATOM 645 C CYS B 65 1.061 -10.522 5.848 1.00 30.33 C ATOM 646 O CYS B 65 2.256 -10.702 5.608 1.00 29.45 O ATOM 647 CB CYS B 65 0.237 -9.319 7.923 1.00 30.53 C ATOM 648 SG CYS B 65 -0.099 -9.366 9.722 1.00 29.34 S ATOM 649 HA CYS B 65 -0.417 -11.239 7.272 1.00 0.00 H ATOM 650 HB2 CYS B 65 -0.632 -8.886 7.428 1.00 0.00 H ATOM 651 HB3 CYS B 65 1.104 -8.680 7.757 1.00 0.00 H ATOM 652 H CYS B 65 2.042 -10.876 8.803 1.00 0.00 H ATOM 653 N LYS B 66 0.194 -10.187 4.900 1.00 29.57 N ATOM 654 CA LYS B 66 0.655 -10.036 3.530 1.00 33.18 C ATOM 655 C LYS B 66 1.722 -8.947 3.434 1.00 33.32 C ATOM 656 O LYS B 66 2.643 -9.041 2.621 1.00 31.99 O ATOM 657 CB LYS B 66 -0.517 -9.716 2.598 1.00 35.18 C ATOM 658 CG LYS B 66 -1.375 -8.537 3.031 1.00 45.91 C ATOM 659 CD LYS B 66 -2.637 -8.407 2.177 1.00 54.76 C ATOM 660 CE LYS B 66 -3.642 -7.419 2.780 1.00 59.52 C ATOM 661 NZ LYS B 66 -4.528 -6.805 1.738 1.00 67.38 N ATOM 662 HA LYS B 66 1.099 -10.981 3.217 1.00 0.00 H ATOM 663 HB2 LYS B 66 -0.114 -9.497 1.609 1.00 0.00 H ATOM 664 HB3 LYS B 66 -1.156 -10.597 2.541 1.00 0.00 H ATOM 665 HG2 LYS B 66 -1.666 -8.676 4.072 1.00 0.00 H ATOM 666 HG3 LYS B 66 -0.790 -7.622 2.938 1.00 0.00 H ATOM 667 HD2 LYS B 66 -2.355 -8.059 1.183 1.00 0.00 H ATOM 668 HD3 LYS B 66 -3.110 -9.386 2.097 1.00 0.00 H ATOM 669 HE2 LYS B 66 -3.093 -6.625 3.287 1.00 0.00 H ATOM 670 HE3 LYS B 66 -4.264 -7.948 3.503 1.00 0.00 H ATOM 671 HZ1 LYS B 66 -3.944 -6.292 1.047 1.00 0.00 H ATOM 672 HZ2 LYS B 66 -5.062 -7.554 1.253 1.00 0.00 H ATOM 673 HZ3 LYS B 66 -5.190 -6.145 2.193 1.00 0.00 H ATOM 674 H LYS B 66 -0.807 -10.034 5.136 1.00 0.00 H ATOM 675 N ASN B 67 1.616 -7.935 4.291 1.00 33.74 N ATOM 676 CA ASN B 67 2.569 -6.825 4.295 1.00 38.19 C ATOM 677 C ASN B 67 3.935 -7.153 4.884 1.00 37.45 C ATOM 678 O ASN B 67 4.859 -6.340 4.804 1.00 40.57 O ATOM 679 CB ASN B 67 1.981 -5.642 5.059 1.00 42.22 C ATOM 680 CG ASN B 67 1.593 -6.011 6.474 1.00 47.81 C ATOM 681 OD1 ASN B 67 1.734 -7.161 6.885 1.00 53.87 O ATOM 682 ND2 ASN B 67 1.106 -5.034 7.228 1.00 50.71 N ATOM 683 HA ASN B 67 2.735 -6.589 3.244 1.00 0.00 H ATOM 684 HB2 ASN B 67 2.722 -4.844 5.095 1.00 0.00 H ATOM 685 HB3 ASN B 67 1.094 -5.289 4.532 1.00 0.00 H ATOM 686 HD22 ASN B 67 1.005 -4.076 6.836 1.00 0.00 H ATOM 687 HD21 ASN B 67 0.825 -5.226 8.211 1.00 0.00 H ATOM 688 H ASN B 67 0.834 -7.933 4.977 1.00 0.00 H ATOM 689 N GLY B 68 4.067 -8.334 5.476 1.00 36.66 N ATOM 690 CA GLY B 68 5.326 -8.727 6.075 1.00 33.65 C ATOM 691 C GLY B 68 5.259 -8.733 7.593 1.00 36.46 C ATOM 692 O GLY B 68 6.113 -9.329 8.251 1.00 34.19 O ATOM 693 HA3 GLY B 68 6.099 -8.027 5.760 1.00 0.00 H ATOM 694 HA2 GLY B 68 5.582 -9.729 5.730 1.00 0.00 H ATOM 695 H GLY B 68 3.257 -8.985 5.510 1.00 0.00 H ATOM 696 N GLN B 69 4.245 -8.063 8.147 1.00 35.72 N ATOM 697 CA GLN B 69 4.048 -8.001 9.593 1.00 30.88 C ATOM 698 C GLN B 69 3.833 -9.424 10.080 1.00 28.40 C ATOM 699 O GLN B 69 3.459 -10.287 9.302 1.00 26.14 O ATOM 700 CB GLN B 69 2.828 -7.146 9.925 1.00 31.47 C ATOM 701 CG GLN B 69 3.040 -5.666 9.683 1.00 31.34 C ATOM 702 CD GLN B 69 4.107 -5.079 10.585 1.00 32.49 C ATOM 703 OE1 GLN B 69 5.217 -4.783 10.140 1.00 32.57 O ATOM 704 NE2 GLN B 69 3.773 -4.904 11.858 1.00 33.24 N ATOM 705 HA GLN B 69 4.914 -7.551 10.079 1.00 0.00 H ATOM 706 HB2 GLN B 69 1.994 -7.480 9.308 1.00 0.00 H ATOM 707 HB3 GLN B 69 2.581 -7.291 10.977 1.00 0.00 H ATOM 708 HG2 GLN B 69 3.340 -5.520 8.645 1.00 0.00 H ATOM 709 HG3 GLN B 69 2.101 -5.143 9.865 1.00 0.00 H ATOM 710 HE22 GLN B 69 2.823 -5.169 12.188 1.00 0.00 H ATOM 711 HE21 GLN B 69 4.461 -4.502 12.526 1.00 0.00 H ATOM 712 H GLN B 69 3.572 -7.568 7.527 1.00 0.00 H ATOM 713 N THR B 70 4.064 -9.674 11.362 1.00 31.41 N ATOM 714 CA THR B 70 3.913 -11.026 11.886 1.00 32.46 C ATOM 715 C THR B 70 2.934 -11.168 13.036 1.00 31.41 C ATOM 716 O THR B 70 2.902 -12.204 13.702 1.00 31.51 O ATOM 717 CB THR B 70 5.259 -11.581 12.339 1.00 35.20 C ATOM 718 OG1 THR B 70 5.967 -10.569 13.068 1.00 35.56 O ATOM 719 CG2 THR B 70 6.075 -12.023 11.128 1.00 39.13 C ATOM 720 HA THR B 70 3.503 -11.591 11.049 1.00 0.00 H ATOM 721 HB THR B 70 5.098 -12.445 12.984 1.00 0.00 H ATOM 722 HG1 THR B 70 6.841 -10.927 13.363 1.00 0.00 H ATOM 723 HG23 THR B 70 5.527 -12.791 10.583 1.00 0.00 H ATOM 724 HG21 THR B 70 6.248 -11.167 10.476 1.00 0.00 H ATOM 725 HG22 THR B 70 7.031 -12.425 11.463 1.00 0.00 H ATOM 726 H THR B 70 4.354 -8.902 11.996 1.00 0.00 H ATOM 727 N ASN B 71 2.151 -10.125 13.277 1.00 30.54 N ATOM 728 CA ASN B 71 1.149 -10.147 14.338 1.00 25.50 C ATOM 729 C ASN B 71 -0.156 -10.657 13.753 1.00 21.43 C ATOM 730 O ASN B 71 -1.236 -10.211 14.140 1.00 24.13 O ATOM 731 CB ASN B 71 0.932 -8.746 14.891 1.00 28.20 C ATOM 732 CG ASN B 71 0.434 -7.780 13.837 1.00 29.37 C ATOM 733 OD1 ASN B 71 1.017 -7.671 12.755 1.00 30.30 O ATOM 734 ND2 ASN B 71 -0.647 -7.072 14.147 1.00 33.67 N ATOM 735 HA ASN B 71 1.490 -10.794 15.146 1.00 0.00 H ATOM 736 HB2 ASN B 71 0.198 -8.797 15.695 1.00 0.00 H ATOM 737 HB3 ASN B 71 1.877 -8.375 15.287 1.00 0.00 H ATOM 738 HD22 ASN B 71 -1.104 -7.199 15.073 1.00 0.00 H ATOM 739 HD21 ASN B 71 -1.036 -6.391 13.464 1.00 0.00 H ATOM 740 H ASN B 71 2.254 -9.269 12.695 1.00 0.00 H ATOM 741 N CYS B 72 -0.042 -11.570 12.797 1.00 22.35 N ATOM 742 CA CYS B 72 -1.206 -12.142 12.145 1.00 20.67 C ATOM 743 C CYS B 72 -1.421 -13.565 12.601 1.00 22.98 C ATOM 744 O CYS B 72 -0.480 -14.260 12.989 1.00 23.00 O ATOM 745 CB CYS B 72 -1.051 -12.089 10.627 1.00 23.25 C ATOM 746 SG CYS B 72 -1.724 -10.577 9.865 1.00 25.24 S ATOM 747 HA CYS B 72 -2.079 -11.552 12.424 1.00 0.00 H ATOM 748 HB2 CYS B 72 -1.568 -12.948 10.199 1.00 0.00 H ATOM 749 HB3 CYS B 72 0.011 -12.150 10.388 1.00 0.00 H ATOM 750 H CYS B 72 0.906 -11.884 12.507 1.00 0.00 H ATOM 751 N TYR B 73 -2.680 -13.984 12.568 1.00 25.96 N ATOM 752 CA TYR B 73 -3.070 -15.311 13.011 1.00 23.25 C ATOM 753 C TYR B 73 -4.091 -15.985 12.093 1.00 21.49 C ATOM 754 O TYR B 73 -5.102 -15.397 11.703 1.00 21.21 O ATOM 755 CB TYR B 73 -3.616 -15.224 14.440 1.00 23.62 C ATOM 756 CG TYR B 73 -2.545 -14.870 15.438 1.00 24.38 C ATOM 757 CD1 TYR B 73 -1.837 -15.867 16.101 1.00 21.40 C ATOM 758 CD2 TYR B 73 -2.158 -13.543 15.640 1.00 22.35 C ATOM 759 CE1 TYR B 73 -0.765 -15.555 16.935 1.00 26.10 C ATOM 760 CE2 TYR B 73 -1.087 -13.220 16.470 1.00 24.57 C ATOM 761 CZ TYR B 73 -0.389 -14.232 17.110 1.00 25.84 C ATOM 762 OH TYR B 73 0.691 -13.934 17.917 1.00 30.55 O ATOM 763 HA TYR B 73 -2.178 -15.937 12.979 1.00 0.00 H ATOM 764 HB3 TYR B 73 -4.044 -16.189 14.712 1.00 0.00 H ATOM 765 HB2 TYR B 73 -4.393 -14.461 14.473 1.00 0.00 H ATOM 766 HD2 TYR B 73 -2.705 -12.745 15.138 1.00 0.00 H ATOM 767 HE2 TYR B 73 -0.800 -12.179 16.615 1.00 0.00 H ATOM 768 HE1 TYR B 73 -0.223 -16.349 17.449 1.00 0.00 H ATOM 769 HD1 TYR B 73 -2.125 -16.909 15.966 1.00 0.00 H ATOM 770 HH TYR B 73 1.065 -14.772 18.289 1.00 0.00 H ATOM 771 H TYR B 73 -3.414 -13.339 12.212 1.00 0.00 H ATOM 772 N GLN B 74 -3.808 -17.235 11.755 1.00 21.63 N ATOM 773 CA GLN B 74 -4.679 -18.005 10.899 1.00 18.80 C ATOM 774 C GLN B 74 -5.503 -18.959 11.751 1.00 19.02 C ATOM 775 O GLN B 74 -4.973 -19.626 12.638 1.00 19.95 O ATOM 776 CB GLN B 74 -3.844 -18.790 9.900 1.00 20.87 C ATOM 777 CG GLN B 74 -4.642 -19.826 9.153 1.00 27.89 C ATOM 778 CD GLN B 74 -3.836 -20.474 8.057 1.00 31.72 C ATOM 779 OE1 GLN B 74 -3.890 -21.690 7.864 1.00 41.34 O ATOM 780 NE2 GLN B 74 -3.073 -19.666 7.330 1.00 29.88 N ATOM 781 HA GLN B 74 -5.348 -17.337 10.356 1.00 0.00 H ATOM 782 HB2 GLN B 74 -3.418 -18.093 9.179 1.00 0.00 H ATOM 783 HB3 GLN B 74 -3.039 -19.292 10.437 1.00 0.00 H ATOM 784 HG2 GLN B 74 -4.966 -20.595 9.854 1.00 0.00 H ATOM 785 HG3 GLN B 74 -5.516 -19.347 8.712 1.00 0.00 H ATOM 786 HE22 GLN B 74 -3.059 -18.645 7.529 1.00 0.00 H ATOM 787 HE21 GLN B 74 -2.489 -20.054 6.562 1.00 0.00 H ATOM 788 H GLN B 74 -2.936 -17.672 12.116 1.00 0.00 H ATOM 789 N SER B 75 -6.800 -19.029 11.472 1.00 18.91 N ATOM 790 CA SER B 75 -7.693 -19.894 12.225 1.00 17.92 C ATOM 791 C SER B 75 -7.467 -21.364 11.890 1.00 18.07 C ATOM 792 O SER B 75 -7.252 -21.712 10.730 1.00 20.38 O ATOM 793 CB SER B 75 -9.152 -19.506 11.952 1.00 15.14 C ATOM 794 OG SER B 75 -9.540 -19.898 10.651 1.00 14.49 O ATOM 795 HA SER B 75 -7.475 -19.760 13.284 1.00 0.00 H ATOM 796 HB2 SER B 75 -9.259 -18.425 12.047 1.00 0.00 H ATOM 797 HB3 SER B 75 -9.796 -19.999 12.681 1.00 0.00 H ATOM 798 HG SER B 75 -9.448 -20.880 10.562 1.00 0.00 H ATOM 799 H SER B 75 -7.185 -18.452 10.697 1.00 0.00 H ATOM 800 N TYR B 76 -7.520 -22.221 12.908 1.00 16.97 N ATOM 801 CA TYR B 76 -7.335 -23.664 12.731 1.00 18.96 C ATOM 802 C TYR B 76 -8.336 -24.252 11.748 1.00 20.52 C ATOM 803 O TYR B 76 -7.979 -25.030 10.864 1.00 22.23 O ATOM 804 CB TYR B 76 -7.476 -24.389 14.073 1.00 17.58 C ATOM 805 CG TYR B 76 -6.273 -24.233 14.979 1.00 19.89 C ATOM 806 CD1 TYR B 76 -4.995 -24.588 14.541 1.00 26.58 C ATOM 807 CD2 TYR B 76 -6.406 -23.700 16.260 1.00 18.34 C ATOM 808 CE1 TYR B 76 -3.877 -24.413 15.362 1.00 26.33 C ATOM 809 CE2 TYR B 76 -5.297 -23.521 17.084 1.00 21.76 C ATOM 810 CZ TYR B 76 -4.042 -23.878 16.627 1.00 24.21 C ATOM 811 OH TYR B 76 -2.951 -23.704 17.434 1.00 30.30 O ATOM 812 HA TYR B 76 -6.332 -23.807 12.330 1.00 0.00 H ATOM 813 HB3 TYR B 76 -7.624 -25.451 13.877 1.00 0.00 H ATOM 814 HB2 TYR B 76 -8.350 -23.991 14.589 1.00 0.00 H ATOM 815 HD2 TYR B 76 -7.394 -23.418 16.623 1.00 0.00 H ATOM 816 HE2 TYR B 76 -5.418 -23.102 18.083 1.00 0.00 H ATOM 817 HE1 TYR B 76 -2.885 -24.695 15.009 1.00 0.00 H ATOM 818 HD1 TYR B 76 -4.867 -25.008 13.543 1.00 0.00 H ATOM 819 HH TYR B 76 -2.138 -24.008 16.958 1.00 0.00 H ATOM 820 H TYR B 76 -7.699 -21.853 13.864 1.00 0.00 H ATOM 821 N SER B 77 -9.598 -23.874 11.909 1.00 23.58 N ATOM 822 CA SER B 77 -10.661 -24.366 11.044 1.00 23.00 C ATOM 823 C SER B 77 -11.209 -23.287 10.105 1.00 21.52 C ATOM 824 O SER B 77 -10.872 -22.102 10.218 1.00 15.28 O ATOM 825 CB SER B 77 -11.798 -24.939 11.889 1.00 21.62 C ATOM 826 OG SER B 77 -12.166 -24.035 12.912 1.00 24.73 O ATOM 827 HA SER B 77 -10.226 -25.146 10.420 1.00 0.00 H ATOM 828 HB2 SER B 77 -11.472 -25.876 12.340 1.00 0.00 H ATOM 829 HB3 SER B 77 -12.660 -25.126 11.249 1.00 0.00 H ATOM 830 HG SER B 77 -11.386 -23.866 13.497 1.00 0.00 H ATOM 831 H SER B 77 -9.834 -23.209 12.673 1.00 0.00 H ATOM 832 N THR B 78 -12.049 -23.725 9.171 1.00 22.36 N ATOM 833 CA THR B 78 -12.673 -22.825 8.211 1.00 21.45 C ATOM 834 C THR B 78 -13.872 -22.156 8.868 1.00 22.54 C ATOM 835 O THR B 78 -14.472 -22.717 9.786 1.00 26.93 O ATOM 836 CB THR B 78 -13.155 -23.592 6.977 1.00 21.08 C ATOM 837 OG1 THR B 78 -14.068 -24.609 7.386 1.00 21.81 O ATOM 838 CG2 THR B 78 -11.993 -24.235 6.264 1.00 20.47 C ATOM 839 HA THR B 78 -11.937 -22.083 7.900 1.00 0.00 H ATOM 840 HB THR B 78 -13.643 -22.893 6.298 1.00 0.00 H ATOM 841 HG1 THR B 78 -14.841 -24.192 7.843 1.00 0.00 H ATOM 842 HG23 THR B 78 -11.290 -23.464 5.948 1.00 0.00 H ATOM 843 HG21 THR B 78 -11.493 -24.929 6.939 1.00 0.00 H ATOM 844 HG22 THR B 78 -12.358 -24.775 5.391 1.00 0.00 H ATOM 845 H THR B 78 -12.267 -24.741 9.125 1.00 0.00 H ATOM 846 N MET B 79 -14.219 -20.957 8.408 1.00 23.27 N ATOM 847 CA MET B 79 -15.342 -20.216 8.962 1.00 18.30 C ATOM 848 C MET B 79 -16.250 -19.712 7.854 1.00 16.26 C ATOM 849 O MET B 79 -15.812 -19.518 6.726 1.00 18.97 O ATOM 850 CB MET B 79 -14.826 -19.051 9.810 1.00 20.14 C ATOM 851 CG MET B 79 -14.195 -19.502 11.130 1.00 17.98 C ATOM 852 SD MET B 79 -13.528 -18.120 12.026 1.00 22.72 S ATOM 853 CE MET B 79 -13.069 -18.891 13.529 1.00 19.57 C ATOM 854 HA MET B 79 -15.925 -20.883 9.597 1.00 0.00 H ATOM 855 HB2 MET B 79 -14.076 -18.508 9.234 1.00 0.00 H ATOM 856 HB3 MET B 79 -15.661 -18.387 10.033 1.00 0.00 H ATOM 857 HG2 MET B 79 -13.393 -20.210 10.918 1.00 0.00 H ATOM 858 HG3 MET B 79 -14.956 -19.989 11.740 1.00 0.00 H ATOM 859 HE1 MET B 79 -13.951 -19.329 13.996 1.00 0.00 H ATOM 860 HE2 MET B 79 -12.338 -19.673 13.326 1.00 0.00 H ATOM 861 HE3 MET B 79 -12.633 -18.149 14.198 1.00 0.00 H ATOM 862 H MET B 79 -13.672 -20.537 7.630 1.00 0.00 H ATOM 863 N SER B 80 -17.528 -19.544 8.170 1.00 13.17 N ATOM 864 CA SER B 80 -18.505 -19.051 7.212 1.00 13.17 C ATOM 865 C SER B 80 -18.252 -17.570 7.023 1.00 15.11 C ATOM 866 O SER B 80 -18.228 -16.797 7.978 1.00 18.65 O ATOM 867 CB SER B 80 -19.930 -19.260 7.736 1.00 13.03 C ATOM 868 OG SER B 80 -20.890 -18.641 6.895 1.00 19.54 O ATOM 869 HA SER B 80 -18.407 -19.591 6.270 1.00 0.00 H ATOM 870 HB2 SER B 80 -20.006 -18.832 8.736 1.00 0.00 H ATOM 871 HB3 SER B 80 -20.137 -20.329 7.783 1.00 0.00 H ATOM 872 HG SER B 80 -20.830 -19.029 5.986 1.00 0.00 H ATOM 873 H SER B 80 -17.841 -19.773 9.135 1.00 0.00 H ATOM 874 N ILE B 81 -18.054 -17.169 5.781 1.00 15.50 N ATOM 875 CA ILE B 81 -17.802 -15.776 5.496 1.00 17.32 C ATOM 876 C ILE B 81 -18.466 -15.418 4.191 1.00 17.80 C ATOM 877 O ILE B 81 -18.757 -16.286 3.378 1.00 20.65 O ATOM 878 CB ILE B 81 -16.287 -15.495 5.395 1.00 19.26 C ATOM 879 CG1 ILE B 81 -15.675 -16.297 4.250 1.00 27.15 C ATOM 880 CG2 ILE B 81 -15.588 -15.895 6.688 1.00 24.83 C ATOM 881 CD1 ILE B 81 -14.293 -15.820 3.849 1.00 29.86 C ATOM 882 HA ILE B 81 -18.207 -15.173 6.308 1.00 0.00 H ATOM 883 HB ILE B 81 -16.154 -14.428 5.215 1.00 0.00 H ATOM 884 HG12 ILE B 81 -15.604 -17.340 4.558 1.00 0.00 H ATOM 885 HG13 ILE B 81 -16.332 -16.219 3.384 1.00 0.00 H ATOM 886 HD11 ILE B 81 -14.348 -14.780 3.527 1.00 0.00 H ATOM 887 HD12 ILE B 81 -13.620 -15.902 4.702 1.00 0.00 H ATOM 888 HD13 ILE B 81 -13.921 -16.436 3.030 1.00 0.00 H ATOM 889 HG21 ILE B 81 -16.003 -15.321 7.516 1.00 0.00 H ATOM 890 HG22 ILE B 81 -15.742 -16.959 6.869 1.00 0.00 H ATOM 891 HG23 ILE B 81 -14.521 -15.691 6.601 1.00 0.00 H ATOM 892 H ILE B 81 -18.080 -17.860 5.004 1.00 0.00 H ATOM 893 N THR B 82 -18.729 -14.130 4.017 1.00 18.89 N ATOM 894 CA THR B 82 -19.332 -13.616 2.798 1.00 15.45 C ATOM 895 C THR B 82 -18.423 -12.521 2.269 1.00 15.13 C ATOM 896 O THR B 82 -18.155 -11.534 2.954 1.00 19.35 O ATOM 897 CB THR B 82 -20.729 -12.994 3.042 1.00 17.05 C ATOM 898 OG1 THR B 82 -21.634 -13.996 3.530 1.00 16.06 O ATOM 899 CG2 THR B 82 -21.273 -12.415 1.744 1.00 12.27 C ATOM 900 HA THR B 82 -19.452 -14.445 2.100 1.00 0.00 H ATOM 901 HB THR B 82 -20.634 -12.200 3.783 1.00 0.00 H ATOM 902 HG1 THR B 82 -21.288 -14.365 4.381 1.00 0.00 H ATOM 903 HG23 THR B 82 -20.587 -11.654 1.372 1.00 0.00 H ATOM 904 HG21 THR B 82 -21.370 -13.211 1.005 1.00 0.00 H ATOM 905 HG22 THR B 82 -22.249 -11.967 1.929 1.00 0.00 H ATOM 906 H THR B 82 -18.495 -13.463 4.780 1.00 0.00 H ATOM 907 N ASP B 83 -17.940 -12.703 1.050 1.00 15.50 N ATOM 908 CA ASP B 83 -17.083 -11.713 0.421 1.00 14.45 C ATOM 909 C ASP B 83 -17.969 -10.737 -0.352 1.00 17.38 C ATOM 910 O ASP B 83 -18.846 -11.157 -1.108 1.00 18.24 O ATOM 911 CB ASP B 83 -16.099 -12.399 -0.536 1.00 8.65 C ATOM 912 CG ASP B 83 -15.351 -11.414 -1.406 1.00 4.50 C ATOM 913 OD1 ASP B 83 -15.718 -11.251 -2.586 1.00 7.16 O ATOM 914 OD2 ASP B 83 -14.394 -10.792 -0.908 1.00 4.88 O ATOM 915 HA ASP B 83 -16.508 -11.180 1.179 1.00 0.00 H ATOM 916 HB2 ASP B 83 -15.376 -12.964 0.052 1.00 0.00 H ATOM 917 HB3 ASP B 83 -16.655 -13.081 -1.179 1.00 0.00 H ATOM 918 H ASP B 83 -18.179 -13.573 0.532 1.00 0.00 H ATOM 919 N CYS B 84 -17.745 -9.440 -0.146 1.00 18.77 N ATOM 920 CA CYS B 84 -18.511 -8.395 -0.833 1.00 20.00 C ATOM 921 C CYS B 84 -17.550 -7.598 -1.691 1.00 21.01 C ATOM 922 O CYS B 84 -16.668 -6.917 -1.165 1.00 21.42 O ATOM 923 CB CYS B 84 -19.186 -7.449 0.171 1.00 19.49 C ATOM 924 SG CYS B 84 -20.438 -8.230 1.226 1.00 19.96 S ATOM 925 HA CYS B 84 -19.290 -8.861 -1.437 1.00 0.00 H ATOM 926 HB2 CYS B 84 -19.666 -6.646 -0.389 1.00 0.00 H ATOM 927 HB3 CYS B 84 -18.413 -7.029 0.815 1.00 0.00 H ATOM 928 H CYS B 84 -17.002 -9.159 0.525 1.00 0.00 H ATOM 929 N ARG B 85 -17.721 -7.692 -3.006 1.00 20.29 N ATOM 930 CA ARG B 85 -16.847 -6.999 -3.942 1.00 18.63 C ATOM 931 C ARG B 85 -17.626 -6.088 -4.886 1.00 19.42 C ATOM 932 O ARG B 85 -18.627 -6.493 -5.465 1.00 21.25 O ATOM 933 CB ARG B 85 -16.061 -8.024 -4.759 1.00 11.14 C ATOM 934 CG ARG B 85 -14.835 -7.464 -5.439 1.00 4.65 C ATOM 935 CD ARG B 85 -13.860 -8.574 -5.769 1.00 5.76 C ATOM 936 NE ARG B 85 -12.473 -8.187 -5.522 1.00 3.31 N ATOM 937 CZ ARG B 85 -11.752 -8.610 -4.493 1.00 2.00 C ATOM 938 NH1 ARG B 85 -10.499 -8.203 -4.351 1.00 3.42 N ATOM 939 NH2 ARG B 85 -12.285 -9.437 -3.602 1.00 3.64 N ATOM 940 HA ARG B 85 -16.168 -6.374 -3.361 1.00 0.00 H ATOM 941 HB2 ARG B 85 -15.746 -8.825 -4.091 1.00 0.00 H ATOM 942 HB3 ARG B 85 -16.722 -8.430 -5.525 1.00 0.00 H ATOM 943 HG2 ARG B 85 -15.133 -6.962 -6.359 1.00 0.00 H ATOM 944 HG3 ARG B 85 -14.352 -6.747 -4.775 1.00 0.00 H ATOM 945 HD2 ARG B 85 -13.969 -8.835 -6.822 1.00 0.00 H ATOM 946 HD3 ARG B 85 -14.096 -9.443 -5.154 1.00 0.00 H ATOM 947 HE ARG B 85 -12.022 -7.537 -6.197 1.00 0.00 H ATOM 948 HH12 ARG B 85 -9.933 -8.534 -3.544 1.00 0.00 H ATOM 949 HH11 ARG B 85 -10.082 -7.552 -5.047 1.00 0.00 H ATOM 950 HH22 ARG B 85 -11.718 -9.768 -2.795 1.00 0.00 H ATOM 951 HH21 ARG B 85 -13.270 -9.754 -3.711 1.00 0.00 H ATOM 952 H ARG B 85 -18.499 -8.275 -3.376 1.00 0.00 H ATOM 953 N GLU B 86 -17.170 -4.852 -5.025 1.00 18.58 N ATOM 954 CA GLU B 86 -17.822 -3.908 -5.922 1.00 22.04 C ATOM 955 C GLU B 86 -17.683 -4.450 -7.337 1.00 25.28 C ATOM 956 O GLU B 86 -16.687 -5.104 -7.665 1.00 23.58 O ATOM 957 CB GLU B 86 -17.117 -2.553 -5.851 1.00 20.36 C ATOM 958 CG GLU B 86 -18.004 -1.373 -5.529 1.00 25.63 C ATOM 959 CD GLU B 86 -17.247 -0.046 -5.605 1.00 25.84 C ATOM 960 OE1 GLU B 86 -17.819 0.948 -6.095 1.00 29.76 O ATOM 961 OE2 GLU B 86 -16.073 -0.001 -5.177 1.00 22.92 O ATOM 962 HA GLU B 86 -18.868 -3.784 -5.642 1.00 0.00 H ATOM 963 HB2 GLU B 86 -16.348 -2.615 -5.081 1.00 0.00 H ATOM 964 HB3 GLU B 86 -16.648 -2.367 -6.817 1.00 0.00 H ATOM 965 HG2 GLU B 86 -18.829 -1.349 -6.241 1.00 0.00 H ATOM 966 HG3 GLU B 86 -18.399 -1.495 -4.521 1.00 0.00 H ATOM 967 H GLU B 86 -16.333 -4.551 -4.485 1.00 0.00 H ATOM 968 N THR B 87 -18.673 -4.188 -8.179 1.00 26.50 N ATOM 969 CA THR B 87 -18.593 -4.624 -9.565 1.00 31.73 C ATOM 970 C THR B 87 -17.850 -3.524 -10.334 1.00 33.05 C ATOM 971 O THR B 87 -17.626 -2.432 -9.805 1.00 28.42 O ATOM 972 CB THR B 87 -19.980 -4.800 -10.170 1.00 33.66 C ATOM 973 OG1 THR B 87 -20.669 -3.542 -10.156 1.00 37.29 O ATOM 974 CG2 THR B 87 -20.764 -5.817 -9.369 1.00 36.30 C ATOM 975 HA THR B 87 -18.080 -5.584 -9.623 1.00 0.00 H ATOM 976 HB THR B 87 -19.884 -5.152 -11.197 1.00 0.00 H ATOM 977 HG1 THR B 87 -21.570 -3.656 -10.549 1.00 0.00 H ATOM 978 HG23 THR B 87 -20.238 -6.771 -9.382 1.00 0.00 H ATOM 979 HG21 THR B 87 -20.864 -5.469 -8.341 1.00 0.00 H ATOM 980 HG22 THR B 87 -21.753 -5.940 -9.810 1.00 0.00 H ATOM 981 H THR B 87 -19.511 -3.668 -7.847 1.00 0.00 H ATOM 982 N GLY B 88 -17.461 -3.807 -11.572 1.00 35.97 N ATOM 983 CA GLY B 88 -16.756 -2.807 -12.351 1.00 41.02 C ATOM 984 C GLY B 88 -17.642 -1.616 -12.675 1.00 42.88 C ATOM 985 O GLY B 88 -17.153 -0.523 -12.961 1.00 43.29 O ATOM 986 HA3 GLY B 88 -16.418 -3.259 -13.283 1.00 0.00 H ATOM 987 HA2 GLY B 88 -15.893 -2.461 -11.783 1.00 0.00 H ATOM 988 H GLY B 88 -17.661 -4.742 -11.981 1.00 0.00 H ATOM 989 N SER B 89 -18.952 -1.838 -12.628 1.00 43.32 N ATOM 990 CA SER B 89 -19.926 -0.797 -12.929 1.00 45.80 C ATOM 991 C SER B 89 -20.225 0.152 -11.763 1.00 48.15 C ATOM 992 O SER B 89 -20.650 1.289 -11.976 1.00 48.39 O ATOM 993 CB SER B 89 -21.230 -1.450 -13.384 1.00 45.53 C ATOM 994 OG SER B 89 -21.762 -2.292 -12.368 1.00 47.94 O ATOM 995 HA SER B 89 -19.481 -0.185 -13.713 1.00 0.00 H ATOM 996 HB2 SER B 89 -21.038 -2.046 -14.276 1.00 0.00 H ATOM 997 HB3 SER B 89 -21.956 -0.671 -13.618 1.00 0.00 H ATOM 998 HG SER B 89 -21.108 -3.004 -12.155 1.00 0.00 H ATOM 999 H SER B 89 -19.293 -2.786 -12.368 1.00 0.00 H ATOM 1000 N SER B 90 -19.991 -0.316 -10.540 1.00 47.71 N ATOM 1001 CA SER B 90 -20.266 0.459 -9.334 1.00 42.20 C ATOM 1002 C SER B 90 -19.612 1.838 -9.258 1.00 39.87 C ATOM 1003 O SER B 90 -18.423 1.996 -9.534 1.00 36.82 O ATOM 1004 CB SER B 90 -19.879 -0.366 -8.102 1.00 41.84 C ATOM 1005 OG SER B 90 -20.178 0.320 -6.899 1.00 40.20 O ATOM 1006 HA SER B 90 -21.336 0.664 -9.368 1.00 0.00 H ATOM 1007 HB2 SER B 90 -18.809 -0.572 -8.136 1.00 0.00 H ATOM 1008 HB3 SER B 90 -20.429 -1.307 -8.119 1.00 0.00 H ATOM 1009 HG SER B 90 -19.677 1.173 -6.874 1.00 0.00 H ATOM 1010 H SER B 90 -19.596 -1.273 -10.439 1.00 0.00 H ATOM 1011 N LYS B 91 -20.415 2.832 -8.882 1.00 36.73 N ATOM 1012 CA LYS B 91 -19.944 4.208 -8.737 1.00 33.58 C ATOM 1013 C LYS B 91 -20.840 4.992 -7.784 1.00 28.96 C ATOM 1014 O LYS B 91 -22.052 5.030 -7.964 1.00 27.29 O ATOM 1015 CB LYS B 91 -19.917 4.917 -10.093 1.00 37.39 C ATOM 1016 CG LYS B 91 -19.159 6.249 -10.059 1.00 43.05 C ATOM 1017 CD LYS B 91 -19.717 7.289 -11.040 1.00 46.00 C ATOM 1018 CE LYS B 91 -19.232 8.708 -10.707 1.00 45.92 C ATOM 1019 NZ LYS B 91 -19.506 9.093 -9.282 1.00 45.90 N ATOM 1020 HA LYS B 91 -18.934 4.167 -8.329 1.00 0.00 H ATOM 1021 HB2 LYS B 91 -19.435 4.261 -10.818 1.00 0.00 H ATOM 1022 HB3 LYS B 91 -20.944 5.109 -10.405 1.00 0.00 H ATOM 1023 HG2 LYS B 91 -19.220 6.657 -9.050 1.00 0.00 H ATOM 1024 HG3 LYS B 91 -18.115 6.060 -10.311 1.00 0.00 H ATOM 1025 HD2 LYS B 91 -19.392 7.033 -12.048 1.00 0.00 H ATOM 1026 HD3 LYS B 91 -20.806 7.269 -10.994 1.00 0.00 H ATOM 1027 HE2 LYS B 91 -19.741 9.414 -11.364 1.00 0.00 H ATOM 1028 HE3 LYS B 91 -18.157 8.760 -10.882 1.00 0.00 H ATOM 1029 HZ1 LYS B 91 -20.530 9.055 -9.105 1.00 0.00 H ATOM 1030 HZ2 LYS B 91 -19.018 8.431 -8.645 1.00 0.00 H ATOM 1031 HZ3 LYS B 91 -19.159 10.058 -9.112 1.00 0.00 H ATOM 1032 H LYS B 91 -21.414 2.621 -8.684 1.00 0.00 H ATOM 1033 N TYR B 92 -20.242 5.619 -6.776 1.00 26.30 N ATOM 1034 CA TYR B 92 -20.990 6.410 -5.800 1.00 26.13 C ATOM 1035 C TYR B 92 -21.843 7.448 -6.512 1.00 26.17 C ATOM 1036 O TYR B 92 -21.393 8.071 -7.472 1.00 27.75 O ATOM 1037 CB TYR B 92 -20.030 7.125 -4.848 1.00 25.61 C ATOM 1038 CG TYR B 92 -20.711 7.786 -3.669 1.00 26.87 C ATOM 1039 CD1 TYR B 92 -20.972 7.074 -2.504 1.00 25.55 C ATOM 1040 CD2 TYR B 92 -21.096 9.125 -3.719 1.00 32.07 C ATOM 1041 CE1 TYR B 92 -21.595 7.666 -1.413 1.00 29.72 C ATOM 1042 CE2 TYR B 92 -21.725 9.745 -2.631 1.00 31.14 C ATOM 1043 CZ TYR B 92 -21.967 9.004 -1.483 1.00 34.00 C ATOM 1044 OH TYR B 92 -22.565 9.602 -0.394 1.00 35.76 O ATOM 1045 HA TYR B 92 -21.630 5.735 -5.232 1.00 0.00 H ATOM 1046 HB3 TYR B 92 -19.497 7.892 -5.410 1.00 0.00 H ATOM 1047 HB2 TYR B 92 -19.317 6.394 -4.467 1.00 0.00 H ATOM 1048 HD2 TYR B 92 -20.904 9.702 -4.624 1.00 0.00 H ATOM 1049 HE2 TYR B 92 -22.020 10.793 -2.686 1.00 0.00 H ATOM 1050 HE1 TYR B 92 -21.791 7.087 -0.510 1.00 0.00 H ATOM 1051 HD1 TYR B 92 -20.681 6.025 -2.445 1.00 0.00 H ATOM 1052 HH TYR B 92 -22.663 8.938 0.333 1.00 0.00 H ATOM 1053 H TYR B 92 -19.209 5.545 -6.678 1.00 0.00 H ATOM 1054 N PRO B 93 -23.068 7.687 -6.027 1.00 22.83 N ATOM 1055 CA PRO B 93 -23.713 7.069 -4.868 1.00 26.09 C ATOM 1056 C PRO B 93 -24.296 5.679 -5.078 1.00 29.23 C ATOM 1057 O PRO B 93 -24.815 5.077 -4.141 1.00 35.95 O ATOM 1058 CB PRO B 93 -24.796 8.076 -4.502 1.00 24.17 C ATOM 1059 CG PRO B 93 -25.206 8.631 -5.811 1.00 22.37 C ATOM 1060 CD PRO B 93 -23.948 8.690 -6.653 1.00 24.60 C ATOM 1061 HA PRO B 93 -22.975 6.877 -4.089 1.00 0.00 H ATOM 1062 HD3 PRO B 93 -24.160 8.430 -7.690 1.00 0.00 H ATOM 1063 HD2 PRO B 93 -23.498 9.682 -6.613 1.00 0.00 H ATOM 1064 HG3 PRO B 93 -25.625 9.629 -5.685 1.00 0.00 H ATOM 1065 HG2 PRO B 93 -25.947 7.984 -6.281 1.00 0.00 H ATOM 1066 HB2 PRO B 93 -25.634 7.585 -4.007 1.00 0.00 H ATOM 1067 HB3 PRO B 93 -24.399 8.857 -3.854 1.00 0.00 H ATOM 1068 N ASN B 94 -24.216 5.162 -6.293 1.00 31.41 N ATOM 1069 CA ASN B 94 -24.784 3.849 -6.566 1.00 31.61 C ATOM 1070 C ASN B 94 -23.762 2.718 -6.483 1.00 30.85 C ATOM 1071 O ASN B 94 -23.308 2.212 -7.508 1.00 35.34 O ATOM 1072 CB ASN B 94 -25.432 3.861 -7.950 1.00 35.10 C ATOM 1073 CG ASN B 94 -26.182 5.149 -8.226 1.00 39.32 C ATOM 1074 OD1 ASN B 94 -27.266 5.371 -7.689 1.00 41.85 O ATOM 1075 ND2 ASN B 94 -25.607 6.011 -9.061 1.00 42.33 N ATOM 1076 HA ASN B 94 -25.525 3.652 -5.792 1.00 0.00 H ATOM 1077 HB2 ASN B 94 -24.653 3.741 -8.703 1.00 0.00 H ATOM 1078 HB3 ASN B 94 -26.131 3.027 -8.017 1.00 0.00 H ATOM 1079 HD22 ASN B 94 -24.689 5.783 -9.493 1.00 0.00 H ATOM 1080 HD21 ASN B 94 -26.076 6.913 -9.281 1.00 0.00 H ATOM 1081 H ASN B 94 -23.747 5.694 -7.054 1.00 0.00 H ATOM 1082 N CYS B 95 -23.394 2.319 -5.268 1.00 29.22 N ATOM 1083 CA CYS B 95 -22.421 1.237 -5.107 1.00 28.28 C ATOM 1084 C CYS B 95 -23.118 -0.073 -5.451 1.00 29.35 C ATOM 1085 O CYS B 95 -24.312 -0.240 -5.185 1.00 29.08 O ATOM 1086 CB CYS B 95 -21.897 1.166 -3.668 1.00 28.96 C ATOM 1087 SG CYS B 95 -21.440 2.758 -2.912 1.00 27.80 S ATOM 1088 HA CYS B 95 -21.571 1.419 -5.764 1.00 0.00 H ATOM 1089 HB2 CYS B 95 -21.013 0.528 -3.665 1.00 0.00 H ATOM 1090 HB3 CYS B 95 -22.673 0.713 -3.051 1.00 0.00 H ATOM 1091 H CYS B 95 -23.800 2.778 -4.428 1.00 0.00 H ATOM 1092 N ALA B 96 -22.370 -0.998 -6.044 1.00 30.38 N ATOM 1093 CA ALA B 96 -22.912 -2.297 -6.429 1.00 28.81 C ATOM 1094 C ALA B 96 -21.930 -3.357 -5.956 1.00 24.49 C ATOM 1095 O ALA B 96 -20.734 -3.231 -6.213 1.00 21.30 O ATOM 1096 CB ALA B 96 -23.069 -2.366 -7.947 1.00 31.29 C ATOM 1097 HA ALA B 96 -23.893 -2.456 -5.980 1.00 0.00 H ATOM 1098 HB1 ALA B 96 -23.749 -1.580 -8.277 1.00 0.00 H ATOM 1099 HB2 ALA B 96 -22.096 -2.228 -8.418 1.00 0.00 H ATOM 1100 HB3 ALA B 96 -23.474 -3.339 -8.225 1.00 0.00 H ATOM 1101 H ALA B 96 -21.370 -0.790 -6.239 1.00 0.00 H ATOM 1102 N TYR B 97 -22.431 -4.391 -5.273 1.00 22.73 N ATOM 1103 CA TYR B 97 -21.571 -5.459 -4.744 1.00 21.51 C ATOM 1104 C TYR B 97 -21.972 -6.843 -5.205 1.00 22.53 C ATOM 1105 O TYR B 97 -23.147 -7.114 -5.416 1.00 25.37 O ATOM 1106 CB TYR B 97 -21.575 -5.449 -3.203 1.00 14.51 C ATOM 1107 CG TYR B 97 -20.926 -4.228 -2.632 1.00 13.90 C ATOM 1108 CD1 TYR B 97 -19.544 -4.164 -2.482 1.00 14.22 C ATOM 1109 CD2 TYR B 97 -21.675 -3.084 -2.342 1.00 14.89 C ATOM 1110 CE1 TYR B 97 -18.919 -2.999 -2.076 1.00 19.33 C ATOM 1111 CE2 TYR B 97 -21.056 -1.906 -1.932 1.00 16.15 C ATOM 1112 CZ TYR B 97 -19.673 -1.871 -1.802 1.00 16.45 C ATOM 1113 OH TYR B 97 -19.037 -0.715 -1.414 1.00 21.13 O ATOM 1114 HA TYR B 97 -20.576 -5.247 -5.135 1.00 0.00 H ATOM 1115 HB3 TYR B 97 -21.038 -6.328 -2.847 1.00 0.00 H ATOM 1116 HB2 TYR B 97 -22.608 -5.490 -2.856 1.00 0.00 H ATOM 1117 HD2 TYR B 97 -22.760 -3.115 -2.438 1.00 0.00 H ATOM 1118 HE2 TYR B 97 -21.651 -1.019 -1.715 1.00 0.00 H ATOM 1119 HE1 TYR B 97 -17.834 -2.969 -1.972 1.00 0.00 H ATOM 1120 HD1 TYR B 97 -18.942 -5.049 -2.688 1.00 0.00 H ATOM 1121 HH TYR B 97 -18.061 -0.874 -1.375 1.00 0.00 H ATOM 1122 H TYR B 97 -23.457 -4.441 -5.112 1.00 0.00 H ATOM 1123 N LYS B 98 -20.983 -7.716 -5.361 1.00 22.67 N ATOM 1124 CA LYS B 98 -21.232 -9.094 -5.738 1.00 24.06 C ATOM 1125 C LYS B 98 -21.035 -9.882 -4.449 1.00 21.82 C ATOM 1126 O LYS B 98 -20.018 -9.731 -3.768 1.00 20.16 O ATOM 1127 CB LYS B 98 -20.242 -9.568 -6.800 1.00 31.15 C ATOM 1128 CG LYS B 98 -20.475 -11.014 -7.222 1.00 38.56 C ATOM 1129 CD LYS B 98 -19.499 -11.482 -8.285 1.00 44.88 C ATOM 1130 CE LYS B 98 -18.071 -11.068 -7.956 1.00 49.53 C ATOM 1131 NZ LYS B 98 -17.735 -11.279 -6.521 1.00 45.67 N ATOM 1132 HA LYS B 98 -22.225 -9.222 -6.168 1.00 0.00 H ATOM 1133 HB2 LYS B 98 -20.340 -8.929 -7.678 1.00 0.00 H ATOM 1134 HB3 LYS B 98 -19.232 -9.480 -6.399 1.00 0.00 H ATOM 1135 HG2 LYS B 98 -20.369 -11.654 -6.346 1.00 0.00 H ATOM 1136 HG3 LYS B 98 -21.488 -11.103 -7.615 1.00 0.00 H ATOM 1137 HD2 LYS B 98 -19.545 -12.569 -8.354 1.00 0.00 H ATOM 1138 HD3 LYS B 98 -19.782 -11.046 -9.243 1.00 0.00 H ATOM 1139 HE2 LYS B 98 -17.949 -10.011 -8.192 1.00 0.00 H ATOM 1140 HE3 LYS B 98 -17.386 -11.657 -8.566 1.00 0.00 H ATOM 1141 HZ1 LYS B 98 -18.378 -10.715 -5.929 1.00 0.00 H ATOM 1142 HZ2 LYS B 98 -17.840 -12.287 -6.286 1.00 0.00 H ATOM 1143 HZ3 LYS B 98 -16.753 -10.982 -6.349 1.00 0.00 H ATOM 1144 H LYS B 98 -20.003 -7.403 -5.209 1.00 0.00 H ATOM 1145 N THR B 99 -22.023 -10.710 -4.125 1.00 21.15 N ATOM 1146 CA THR B 99 -22.029 -11.524 -2.914 1.00 20.48 C ATOM 1147 C THR B 99 -21.520 -12.958 -3.138 1.00 22.67 C ATOM 1148 O THR B 99 -22.137 -13.744 -3.863 1.00 26.86 O ATOM 1149 CB THR B 99 -23.477 -11.576 -2.332 1.00 19.74 C ATOM 1150 OG1 THR B 99 -23.965 -10.237 -2.176 1.00 17.28 O ATOM 1151 CG2 THR B 99 -23.518 -12.310 -0.986 1.00 15.20 C ATOM 1152 HA THR B 99 -21.341 -11.050 -2.214 1.00 0.00 H ATOM 1153 HB THR B 99 -24.110 -12.129 -3.026 1.00 0.00 H ATOM 1154 HG1 THR B 99 -23.373 -9.741 -1.556 1.00 0.00 H ATOM 1155 HG23 THR B 99 -23.145 -13.326 -1.116 1.00 0.00 H ATOM 1156 HG21 THR B 99 -22.893 -11.782 -0.266 1.00 0.00 H ATOM 1157 HG22 THR B 99 -24.545 -12.342 -0.622 1.00 0.00 H ATOM 1158 H THR B 99 -22.836 -10.782 -4.770 1.00 0.00 H ATOM 1159 N THR B 100 -20.396 -13.290 -2.512 1.00 23.89 N ATOM 1160 CA THR B 100 -19.824 -14.633 -2.612 1.00 22.67 C ATOM 1161 C THR B 100 -19.706 -15.241 -1.215 1.00 22.78 C ATOM 1162 O THR B 100 -18.832 -14.862 -0.435 1.00 22.30 O ATOM 1163 CB THR B 100 -18.417 -14.617 -3.236 1.00 20.55 C ATOM 1164 OG1 THR B 100 -18.453 -13.911 -4.477 1.00 20.09 O ATOM 1165 CG2 THR B 100 -17.941 -16.033 -3.489 1.00 21.01 C ATOM 1166 HA THR B 100 -20.487 -15.219 -3.249 1.00 0.00 H ATOM 1167 HB THR B 100 -17.733 -14.124 -2.546 1.00 0.00 H ATOM 1168 HG1 THR B 100 -18.754 -12.981 -4.318 1.00 0.00 H ATOM 1169 HG23 THR B 100 -17.911 -16.579 -2.546 1.00 0.00 H ATOM 1170 HG21 THR B 100 -18.628 -16.529 -4.175 1.00 0.00 H ATOM 1171 HG22 THR B 100 -16.943 -16.007 -3.927 1.00 0.00 H ATOM 1172 H THR B 100 -19.909 -12.575 -1.935 1.00 0.00 H ATOM 1173 N GLN B 101 -20.596 -16.177 -0.899 1.00 23.29 N ATOM 1174 CA GLN B 101 -20.583 -16.836 0.403 1.00 24.12 C ATOM 1175 C GLN B 101 -19.606 -18.012 0.344 1.00 23.82 C ATOM 1176 O GLN B 101 -19.543 -18.704 -0.665 1.00 28.30 O ATOM 1177 CB GLN B 101 -21.990 -17.340 0.753 1.00 21.13 C ATOM 1178 CG GLN B 101 -22.010 -18.402 1.842 1.00 26.60 C ATOM 1179 CD GLN B 101 -21.658 -17.837 3.205 1.00 32.38 C ATOM 1180 OE1 GLN B 101 -20.934 -18.462 3.983 1.00 31.25 O ATOM 1181 NE2 GLN B 101 -22.171 -16.645 3.498 1.00 35.56 N ATOM 1182 HA GLN B 101 -20.269 -16.130 1.172 1.00 0.00 H ATOM 1183 HB2 GLN B 101 -22.585 -16.491 1.090 1.00 0.00 H ATOM 1184 HB3 GLN B 101 -22.438 -17.762 -0.147 1.00 0.00 H ATOM 1185 HG2 GLN B 101 -23.009 -18.837 1.890 1.00 0.00 H ATOM 1186 HG3 GLN B 101 -21.289 -19.179 1.588 1.00 0.00 H ATOM 1187 HE22 GLN B 101 -22.777 -16.156 2.809 1.00 0.00 H ATOM 1188 HE21 GLN B 101 -21.966 -16.202 4.416 1.00 0.00 H ATOM 1189 H GLN B 101 -21.319 -16.446 -1.597 1.00 0.00 H ATOM 1190 N ALA B 102 -18.843 -18.237 1.408 1.00 24.50 N ATOM 1191 CA ALA B 102 -17.875 -19.324 1.411 1.00 23.09 C ATOM 1192 C ALA B 102 -17.439 -19.730 2.804 1.00 22.33 C ATOM 1193 O ALA B 102 -17.778 -19.087 3.791 1.00 21.38 O ATOM 1194 CB ALA B 102 -16.655 -18.924 0.605 1.00 20.99 C ATOM 1195 HA ALA B 102 -18.371 -20.185 0.964 1.00 0.00 H ATOM 1196 HB1 ALA B 102 -16.954 -18.708 -0.421 1.00 0.00 H ATOM 1197 HB2 ALA B 102 -16.204 -18.036 1.048 1.00 0.00 H ATOM 1198 HB3 ALA B 102 -15.934 -19.741 0.610 1.00 0.00 H ATOM 1199 H ALA B 102 -18.938 -17.630 2.247 1.00 0.00 H ATOM 1200 N ASN B 103 -16.683 -20.818 2.867 1.00 25.22 N ATOM 1201 CA ASN B 103 -16.156 -21.325 4.124 1.00 28.28 C ATOM 1202 C ASN B 103 -14.641 -21.454 3.991 1.00 26.04 C ATOM 1203 O ASN B 103 -14.144 -22.336 3.304 1.00 26.10 O ATOM 1204 CB ASN B 103 -16.764 -22.687 4.444 1.00 28.57 C ATOM 1205 CG ASN B 103 -18.004 -22.580 5.284 1.00 30.63 C ATOM 1206 OD1 ASN B 103 -17.967 -22.814 6.491 1.00 39.46 O ATOM 1207 ND2 ASN B 103 -19.120 -22.219 4.655 1.00 33.43 N ATOM 1208 HA ASN B 103 -16.409 -20.639 4.933 1.00 0.00 H ATOM 1209 HB2 ASN B 103 -17.017 -23.186 3.508 1.00 0.00 H ATOM 1210 HB3 ASN B 103 -16.026 -23.281 4.983 1.00 0.00 H ATOM 1211 HD22 ASN B 103 -19.103 -22.031 3.632 1.00 0.00 H ATOM 1212 HD21 ASN B 103 -20.009 -22.125 5.186 1.00 0.00 H ATOM 1213 H ASN B 103 -16.459 -21.326 1.987 1.00 0.00 H ATOM 1214 N LYS B 104 -13.912 -20.567 4.652 1.00 25.44 N ATOM 1215 CA LYS B 104 -12.462 -20.583 4.583 1.00 25.34 C ATOM 1216 C LYS B 104 -11.818 -20.174 5.895 1.00 23.46 C ATOM 1217 O LYS B 104 -12.475 -19.643 6.786 1.00 24.66 O ATOM 1218 CB LYS B 104 -11.977 -19.628 3.496 1.00 30.08 C ATOM 1219 CG LYS B 104 -12.766 -19.684 2.212 1.00 34.57 C ATOM 1220 CD LYS B 104 -12.088 -18.846 1.150 1.00 41.94 C ATOM 1221 CE LYS B 104 -12.286 -17.361 1.408 1.00 45.20 C ATOM 1222 NZ LYS B 104 -11.797 -16.528 0.270 1.00 47.75 N ATOM 1223 HA LYS B 104 -12.171 -21.609 4.357 1.00 0.00 H ATOM 1224 HB2 LYS B 104 -12.034 -18.612 3.886 1.00 0.00 H ATOM 1225 HB3 LYS B 104 -10.939 -19.871 3.268 1.00 0.00 H ATOM 1226 HG2 LYS B 104 -12.828 -20.717 1.871 1.00 0.00 H ATOM 1227 HG3 LYS B 104 -13.771 -19.300 2.388 1.00 0.00 H ATOM 1228 HD2 LYS B 104 -11.021 -19.068 1.150 1.00 0.00 H ATOM 1229 HD3 LYS B 104 -12.510 -19.097 0.177 1.00 0.00 H ATOM 1230 HE2 LYS B 104 -11.739 -17.084 2.309 1.00 0.00 H ATOM 1231 HE3 LYS B 104 -13.348 -17.167 1.556 1.00 0.00 H ATOM 1232 HZ1 LYS B 104 -10.782 -16.702 0.126 1.00 0.00 H ATOM 1233 HZ2 LYS B 104 -12.319 -16.782 -0.593 1.00 0.00 H ATOM 1234 HZ3 LYS B 104 -11.951 -15.523 0.487 1.00 0.00 H ATOM 1235 H LYS B 104 -14.387 -19.846 5.231 1.00 0.00 H ATOM 1236 N HIS B 105 -10.518 -20.420 5.999 1.00 21.20 N ATOM 1237 CA HIS B 105 -9.772 -20.047 7.187 1.00 21.79 C ATOM 1238 C HIS B 105 -9.606 -18.543 7.120 1.00 23.84 C ATOM 1239 O HIS B 105 -9.450 -17.980 6.038 1.00 26.13 O ATOM 1240 CB HIS B 105 -8.390 -20.692 7.179 1.00 21.25 C ATOM 1241 CG HIS B 105 -8.423 -22.186 7.129 1.00 23.98 C ATOM 1242 ND1 HIS B 105 -8.496 -22.965 8.263 1.00 25.32 N ATOM 1243 CD2 HIS B 105 -8.375 -23.044 6.084 1.00 23.83 C ATOM 1244 CE1 HIS B 105 -8.488 -24.239 7.919 1.00 27.63 C ATOM 1245 NE2 HIS B 105 -8.420 -24.314 6.603 1.00 26.50 N ATOM 1246 HA HIS B 105 -10.293 -20.372 8.088 1.00 0.00 H ATOM 1247 HB2 HIS B 105 -7.846 -20.330 6.306 1.00 0.00 H ATOM 1248 HB3 HIS B 105 -7.864 -20.389 8.084 1.00 0.00 H ATOM 1249 HD2 HIS B 105 -8.312 -22.777 5.029 1.00 0.00 H ATOM 1250 HE1 HIS B 105 -8.530 -25.085 8.605 1.00 0.00 H ATOM 1251 H HIS B 105 -10.024 -20.889 5.214 1.00 0.00 H ATOM 1252 N ILE B 106 -9.633 -17.880 8.263 1.00 21.70 N ATOM 1253 CA ILE B 106 -9.462 -16.441 8.248 1.00 21.84 C ATOM 1254 C ILE B 106 -8.113 -16.056 8.844 1.00 20.88 C ATOM 1255 O ILE B 106 -7.590 -16.734 9.729 1.00 22.98 O ATOM 1256 CB ILE B 106 -10.599 -15.712 9.023 1.00 23.68 C ATOM 1257 CG1 ILE B 106 -10.468 -15.973 10.526 1.00 19.20 C ATOM 1258 CG2 ILE B 106 -11.971 -16.151 8.486 1.00 25.81 C ATOM 1259 CD1 ILE B 106 -11.055 -14.884 11.390 1.00 19.28 C ATOM 1260 HA ILE B 106 -9.505 -16.125 7.206 1.00 0.00 H ATOM 1261 HB ILE B 106 -10.510 -14.637 8.866 1.00 0.00 H ATOM 1262 HG12 ILE B 106 -10.978 -16.908 10.758 1.00 0.00 H ATOM 1263 HG13 ILE B 106 -9.409 -16.069 10.767 1.00 0.00 H ATOM 1264 HD11 ILE B 106 -10.548 -13.942 11.180 1.00 0.00 H ATOM 1265 HD12 ILE B 106 -12.118 -14.782 11.171 1.00 0.00 H ATOM 1266 HD13 ILE B 106 -10.922 -15.144 12.440 1.00 0.00 H ATOM 1267 HG21 ILE B 106 -12.042 -15.901 7.427 1.00 0.00 H ATOM 1268 HG22 ILE B 106 -12.083 -17.228 8.615 1.00 0.00 H ATOM 1269 HG23 ILE B 106 -12.757 -15.634 9.036 1.00 0.00 H ATOM 1270 H ILE B 106 -9.775 -18.384 9.161 1.00 0.00 H ATOM 1271 N ILE B 107 -7.533 -14.985 8.324 1.00 16.84 N ATOM 1272 CA ILE B 107 -6.258 -14.504 8.820 1.00 17.04 C ATOM 1273 C ILE B 107 -6.499 -13.073 9.267 1.00 19.07 C ATOM 1274 O ILE B 107 -6.866 -12.218 8.457 1.00 17.83 O ATOM 1275 CB ILE B 107 -5.192 -14.561 7.720 1.00 18.14 C ATOM 1276 CG1 ILE B 107 -5.012 -16.013 7.291 1.00 12.94 C ATOM 1277 CG2 ILE B 107 -3.872 -13.986 8.234 1.00 18.27 C ATOM 1278 CD1 ILE B 107 -4.761 -16.186 5.819 1.00 20.02 C ATOM 1279 HA ILE B 107 -5.891 -15.119 9.641 1.00 0.00 H ATOM 1280 HB ILE B 107 -5.509 -13.964 6.865 1.00 0.00 H ATOM 1281 HG12 ILE B 107 -4.165 -16.430 7.835 1.00 0.00 H ATOM 1282 HG13 ILE B 107 -5.916 -16.563 7.552 1.00 0.00 H ATOM 1283 HD11 ILE B 107 -5.605 -15.785 5.258 1.00 0.00 H ATOM 1284 HD12 ILE B 107 -3.852 -15.652 5.541 1.00 0.00 H ATOM 1285 HD13 ILE B 107 -4.644 -17.246 5.594 1.00 0.00 H ATOM 1286 HG21 ILE B 107 -4.021 -12.949 8.534 1.00 0.00 H ATOM 1287 HG22 ILE B 107 -3.533 -14.568 9.091 1.00 0.00 H ATOM 1288 HG23 ILE B 107 -3.124 -14.033 7.442 1.00 0.00 H ATOM 1289 H ILE B 107 -8.001 -14.479 7.545 1.00 0.00 H ATOM 1290 N VAL B 108 -6.333 -12.835 10.568 1.00 18.58 N ATOM 1291 CA VAL B 108 -6.544 -11.514 11.151 1.00 19.25 C ATOM 1292 C VAL B 108 -5.284 -11.016 11.858 1.00 20.50 C ATOM 1293 O VAL B 108 -4.459 -11.813 12.314 1.00 17.55 O ATOM 1294 CB VAL B 108 -7.710 -11.527 12.190 1.00 18.34 C ATOM 1295 CG1 VAL B 108 -9.022 -11.908 11.530 1.00 20.95 C ATOM 1296 CG2 VAL B 108 -7.414 -12.503 13.310 1.00 22.96 C ATOM 1297 HA VAL B 108 -6.796 -10.848 10.326 1.00 0.00 H ATOM 1298 HB VAL B 108 -7.798 -10.521 12.599 1.00 0.00 H ATOM 1299 HG11 VAL B 108 -9.257 -11.186 10.748 1.00 0.00 H ATOM 1300 HG12 VAL B 108 -8.932 -12.902 11.092 1.00 0.00 H ATOM 1301 HG13 VAL B 108 -9.816 -11.909 12.277 1.00 0.00 H ATOM 1302 HG21 VAL B 108 -7.297 -13.505 12.896 1.00 0.00 H ATOM 1303 HG22 VAL B 108 -6.494 -12.207 13.814 1.00 0.00 H ATOM 1304 HG23 VAL B 108 -8.238 -12.497 14.023 1.00 0.00 H ATOM 1305 H VAL B 108 -6.043 -13.617 11.189 1.00 0.00 H ATOM 1306 N ALA B 109 -5.149 -9.693 11.944 1.00 21.23 N ATOM 1307 CA ALA B 109 -4.016 -9.062 12.615 1.00 19.93 C ATOM 1308 C ALA B 109 -4.553 -8.714 13.983 1.00 20.47 C ATOM 1309 O ALA B 109 -5.686 -8.246 14.095 1.00 21.07 O ATOM 1310 CB ALA B 109 -3.597 -7.789 11.880 1.00 18.49 C ATOM 1311 HA ALA B 109 -3.139 -9.708 12.650 1.00 0.00 H ATOM 1312 HB1 ALA B 109 -3.309 -8.039 10.859 1.00 0.00 H ATOM 1313 HB2 ALA B 109 -4.433 -7.089 11.863 1.00 0.00 H ATOM 1314 HB3 ALA B 109 -2.751 -7.334 12.396 1.00 0.00 H ATOM 1315 H ALA B 109 -5.878 -9.087 11.517 1.00 0.00 H ATOM 1316 N CYS B 110 -3.750 -8.936 15.018 1.00 22.86 N ATOM 1317 CA CYS B 110 -4.177 -8.662 16.387 1.00 24.04 C ATOM 1318 C CYS B 110 -3.286 -7.665 17.129 1.00 26.11 C ATOM 1319 O CYS B 110 -2.070 -7.609 16.921 1.00 26.74 O ATOM 1320 CB CYS B 110 -4.246 -9.974 17.189 1.00 23.48 C ATOM 1321 SG CYS B 110 -5.256 -11.285 16.415 1.00 22.15 S ATOM 1322 HA CYS B 110 -5.162 -8.202 16.306 1.00 0.00 H ATOM 1323 HB2 CYS B 110 -4.669 -9.752 18.169 1.00 0.00 H ATOM 1324 HB3 CYS B 110 -3.231 -10.353 17.310 1.00 0.00 H ATOM 1325 H CYS B 110 -2.796 -9.313 14.849 1.00 0.00 H ATOM 1326 N GLU B 111 -3.913 -6.879 17.998 1.00 26.99 N ATOM 1327 CA GLU B 111 -3.219 -5.877 18.790 1.00 26.95 C ATOM 1328 C GLU B 111 -3.953 -5.598 20.089 1.00 30.63 C ATOM 1329 O GLU B 111 -5.115 -5.979 20.268 1.00 26.78 O ATOM 1330 CB GLU B 111 -3.114 -4.560 18.044 1.00 28.36 C ATOM 1331 CG GLU B 111 -2.217 -4.571 16.846 1.00 36.82 C ATOM 1332 CD GLU B 111 -2.302 -3.267 16.089 1.00 42.84 C ATOM 1333 OE1 GLU B 111 -2.332 -2.205 16.745 1.00 47.48 O ATOM 1334 OE2 GLU B 111 -2.344 -3.298 14.842 1.00 48.23 O ATOM 1335 HA GLU B 111 -2.227 -6.280 18.991 1.00 0.00 H ATOM 1336 HB2 GLU B 111 -4.114 -4.280 17.713 1.00 0.00 H ATOM 1337 HB3 GLU B 111 -2.739 -3.809 18.739 1.00 0.00 H ATOM 1338 HG2 GLU B 111 -1.189 -4.727 17.173 1.00 0.00 H ATOM 1339 HG3 GLU B 111 -2.515 -5.386 16.186 1.00 0.00 H ATOM 1340 H GLU B 111 -4.941 -6.985 18.116 1.00 0.00 H ATOM 1341 N GLY B 112 -3.250 -4.904 20.982 1.00 32.79 N ATOM 1342 CA GLY B 112 -3.813 -4.525 22.263 1.00 35.02 C ATOM 1343 C GLY B 112 -3.732 -5.513 23.402 1.00 38.35 C ATOM 1344 O GLY B 112 -3.059 -6.548 23.340 1.00 33.60 O ATOM 1345 HA3 GLY B 112 -4.868 -4.306 22.100 1.00 0.00 H ATOM 1346 HA2 GLY B 112 -3.301 -3.618 22.585 1.00 0.00 H ATOM 1347 H GLY B 112 -2.274 -4.627 20.755 1.00 0.00 H ATOM 1348 N ASN B 113 -4.439 -5.146 24.462 1.00 42.41 N ATOM 1349 CA ASN B 113 -4.537 -5.937 25.679 1.00 46.91 C ATOM 1350 C ASN B 113 -5.987 -5.765 26.121 1.00 47.47 C ATOM 1351 O ASN B 113 -6.382 -4.698 26.591 1.00 52.23 O ATOM 1352 CB ASN B 113 -3.583 -5.393 26.742 1.00 45.98 C ATOM 1353 CG ASN B 113 -3.737 -6.094 28.073 1.00 47.29 C ATOM 1354 OD1 ASN B 113 -3.750 -7.324 28.150 1.00 46.18 O ATOM 1355 ND2 ASN B 113 -3.856 -5.306 29.134 1.00 49.50 N ATOM 1356 HA ASN B 113 -4.270 -6.982 25.525 1.00 0.00 H ATOM 1357 HB2 ASN B 113 -2.559 -5.526 26.393 1.00 0.00 H ATOM 1358 HB3 ASN B 113 -3.783 -4.331 26.881 1.00 0.00 H ATOM 1359 HD22 ASN B 113 -3.839 -4.273 29.019 1.00 0.00 H ATOM 1360 HD21 ASN B 113 -3.966 -5.722 30.081 1.00 0.00 H ATOM 1361 H ASN B 113 -4.952 -4.242 24.421 1.00 0.00 H ATOM 1362 N PRO B 114 -6.805 -6.820 25.972 1.00 45.83 N ATOM 1363 CA PRO B 114 -6.392 -8.117 25.430 1.00 43.47 C ATOM 1364 C PRO B 114 -6.039 -8.062 23.946 1.00 38.51 C ATOM 1365 O PRO B 114 -6.312 -7.074 23.261 1.00 35.67 O ATOM 1366 CB PRO B 114 -7.601 -9.012 25.700 1.00 45.24 C ATOM 1367 CG PRO B 114 -8.762 -8.060 25.649 1.00 46.20 C ATOM 1368 CD PRO B 114 -8.248 -6.786 26.273 1.00 46.29 C ATOM 1369 HA PRO B 114 -5.476 -8.482 25.893 1.00 0.00 H ATOM 1370 HD3 PRO B 114 -8.721 -5.912 25.824 1.00 0.00 H ATOM 1371 HD2 PRO B 114 -8.423 -6.779 27.349 1.00 0.00 H ATOM 1372 HG3 PRO B 114 -9.605 -8.453 26.217 1.00 0.00 H ATOM 1373 HG2 PRO B 114 -9.070 -7.885 24.618 1.00 0.00 H ATOM 1374 HB2 PRO B 114 -7.695 -9.782 24.934 1.00 0.00 H ATOM 1375 HB3 PRO B 114 -7.526 -9.483 26.680 1.00 0.00 H ATOM 1376 N TYR B 115 -5.425 -9.142 23.477 1.00 37.08 N ATOM 1377 CA TYR B 115 -5.021 -9.304 22.087 1.00 31.73 C ATOM 1378 C TYR B 115 -6.284 -9.599 21.292 1.00 27.24 C ATOM 1379 O TYR B 115 -6.797 -10.714 21.336 1.00 27.17 O ATOM 1380 CB TYR B 115 -4.065 -10.492 21.980 1.00 32.85 C ATOM 1381 CG TYR B 115 -2.983 -10.367 20.937 1.00 29.30 C ATOM 1382 CD1 TYR B 115 -2.275 -9.175 20.769 1.00 32.46 C ATOM 1383 CD2 TYR B 115 -2.645 -11.449 20.133 1.00 29.15 C ATOM 1384 CE1 TYR B 115 -1.255 -9.071 19.818 1.00 31.68 C ATOM 1385 CE2 TYR B 115 -1.640 -11.358 19.192 1.00 26.36 C ATOM 1386 CZ TYR B 115 -0.947 -10.171 19.035 1.00 28.42 C ATOM 1387 OH TYR B 115 0.036 -10.109 18.085 1.00 31.74 O ATOM 1388 HA TYR B 115 -4.520 -8.411 21.712 1.00 0.00 H ATOM 1389 HB3 TYR B 115 -4.656 -11.378 21.746 1.00 0.00 H ATOM 1390 HB2 TYR B 115 -3.583 -10.623 22.949 1.00 0.00 H ATOM 1391 HD2 TYR B 115 -3.185 -12.389 20.248 1.00 0.00 H ATOM 1392 HE2 TYR B 115 -1.392 -12.220 18.573 1.00 0.00 H ATOM 1393 HE1 TYR B 115 -0.709 -8.136 19.695 1.00 0.00 H ATOM 1394 HD1 TYR B 115 -2.521 -8.313 21.389 1.00 0.00 H ATOM 1395 HH TYR B 115 0.440 -9.205 18.088 1.00 0.00 H ATOM 1396 H TYR B 115 -5.221 -9.917 24.140 1.00 0.00 H ATOM 1397 N VAL B 116 -6.782 -8.597 20.567 1.00 27.22 N ATOM 1398 CA VAL B 116 -8.007 -8.751 19.783 1.00 24.40 C ATOM 1399 C VAL B 116 -7.799 -8.362 18.323 1.00 23.83 C ATOM 1400 O VAL B 116 -6.878 -7.615 18.004 1.00 24.56 O ATOM 1401 CB VAL B 116 -9.146 -7.892 20.373 1.00 20.96 C ATOM 1402 CG1 VAL B 116 -9.510 -8.389 21.765 1.00 22.72 C ATOM 1403 CG2 VAL B 116 -8.716 -6.442 20.424 1.00 22.31 C ATOM 1404 HA VAL B 116 -8.279 -9.806 19.828 1.00 0.00 H ATOM 1405 HB VAL B 116 -10.027 -7.977 19.736 1.00 0.00 H ATOM 1406 HG11 VAL B 116 -9.839 -9.427 21.705 1.00 0.00 H ATOM 1407 HG12 VAL B 116 -8.637 -8.320 22.414 1.00 0.00 H ATOM 1408 HG13 VAL B 116 -10.314 -7.775 22.170 1.00 0.00 H ATOM 1409 HG21 VAL B 116 -7.830 -6.349 21.052 1.00 0.00 H ATOM 1410 HG22 VAL B 116 -8.487 -6.097 19.416 1.00 0.00 H ATOM 1411 HG23 VAL B 116 -9.523 -5.840 20.841 1.00 0.00 H ATOM 1412 H VAL B 116 -6.287 -7.683 20.559 1.00 0.00 H ATOM 1413 N PRO B 117 -8.649 -8.876 17.411 1.00 24.12 N ATOM 1414 CA PRO B 117 -8.496 -8.541 15.994 1.00 21.60 C ATOM 1415 C PRO B 117 -8.756 -7.063 15.714 1.00 23.30 C ATOM 1416 O PRO B 117 -9.689 -6.474 16.264 1.00 21.20 O ATOM 1417 CB PRO B 117 -9.514 -9.450 15.288 1.00 21.67 C ATOM 1418 CG PRO B 117 -9.922 -10.469 16.314 1.00 20.01 C ATOM 1419 CD PRO B 117 -9.788 -9.784 17.631 1.00 23.35 C ATOM 1420 HA PRO B 117 -7.477 -8.702 15.641 1.00 0.00 H ATOM 1421 HD3 PRO B 117 -10.692 -9.228 17.879 1.00 0.00 H ATOM 1422 HD2 PRO B 117 -9.573 -10.498 18.426 1.00 0.00 H ATOM 1423 HG3 PRO B 117 -9.267 -11.339 16.268 1.00 0.00 H ATOM 1424 HG2 PRO B 117 -10.953 -10.783 16.151 1.00 0.00 H ATOM 1425 HB2 PRO B 117 -10.378 -8.872 14.960 1.00 0.00 H ATOM 1426 HB3 PRO B 117 -9.057 -9.938 14.427 1.00 0.00 H ATOM 1427 N VAL B 118 -7.926 -6.470 14.856 1.00 22.50 N ATOM 1428 CA VAL B 118 -8.078 -5.066 14.473 1.00 23.05 C ATOM 1429 C VAL B 118 -8.136 -4.914 12.944 1.00 23.05 C ATOM 1430 O VAL B 118 -8.504 -3.861 12.421 1.00 19.00 O ATOM 1431 CB VAL B 118 -6.922 -4.202 15.035 1.00 23.36 C ATOM 1432 CG1 VAL B 118 -7.050 -4.101 16.554 1.00 25.72 C ATOM 1433 CG2 VAL B 118 -5.582 -4.797 14.638 1.00 23.14 C ATOM 1434 HA VAL B 118 -9.018 -4.716 14.901 1.00 0.00 H ATOM 1435 HB VAL B 118 -6.981 -3.198 14.615 1.00 0.00 H ATOM 1436 HG11 VAL B 118 -8.004 -3.639 16.807 1.00 0.00 H ATOM 1437 HG12 VAL B 118 -7.001 -5.099 16.989 1.00 0.00 H ATOM 1438 HG13 VAL B 118 -6.235 -3.492 16.946 1.00 0.00 H ATOM 1439 HG21 VAL B 118 -5.501 -5.807 15.039 1.00 0.00 H ATOM 1440 HG22 VAL B 118 -5.508 -4.830 13.551 1.00 0.00 H ATOM 1441 HG23 VAL B 118 -4.778 -4.180 15.040 1.00 0.00 H ATOM 1442 H VAL B 118 -7.146 -7.022 14.446 1.00 0.00 H ATOM 1443 N HIS B 119 -7.794 -5.985 12.233 1.00 23.64 N ATOM 1444 CA HIS B 119 -7.805 -5.974 10.773 1.00 25.90 C ATOM 1445 C HIS B 119 -8.085 -7.342 10.175 1.00 23.09 C ATOM 1446 O HIS B 119 -7.778 -8.377 10.771 1.00 23.38 O ATOM 1447 CB HIS B 119 -6.460 -5.472 10.237 1.00 32.17 C ATOM 1448 CG HIS B 119 -6.197 -4.032 10.529 1.00 44.08 C ATOM 1449 ND1 HIS B 119 -6.952 -3.017 9.981 1.00 44.62 N ATOM 1450 CD2 HIS B 119 -5.276 -3.434 11.323 1.00 45.65 C ATOM 1451 CE1 HIS B 119 -6.508 -1.857 10.420 1.00 49.79 C ATOM 1452 NE2 HIS B 119 -5.493 -2.079 11.234 1.00 49.48 N ATOM 1453 HA HIS B 119 -8.613 -5.305 10.477 1.00 0.00 H ATOM 1454 HB2 HIS B 119 -5.666 -6.066 10.689 1.00 0.00 H ATOM 1455 HB3 HIS B 119 -6.446 -5.612 9.156 1.00 0.00 H ATOM 1456 HD2 HIS B 119 -4.510 -3.932 11.918 1.00 0.00 H ATOM 1457 HE1 HIS B 119 -6.911 -0.879 10.156 1.00 0.00 H ATOM 1458 H HIS B 119 -7.511 -6.853 12.730 1.00 0.00 H ATOM 1459 N PHE B 120 -8.678 -7.351 8.991 1.00 21.81 N ATOM 1460 CA PHE B 120 -8.943 -8.598 8.303 1.00 23.47 C ATOM 1461 C PHE B 120 -7.883 -8.652 7.211 1.00 22.37 C ATOM 1462 O PHE B 120 -7.881 -7.818 6.307 1.00 23.31 O ATOM 1463 CB PHE B 120 -10.337 -8.601 7.690 1.00 21.08 C ATOM 1464 CG PHE B 120 -10.789 -9.960 7.244 1.00 26.58 C ATOM 1465 CD1 PHE B 120 -10.481 -10.426 5.968 1.00 21.65 C ATOM 1466 CD2 PHE B 120 -11.484 -10.797 8.116 1.00 26.66 C ATOM 1467 CE1 PHE B 120 -10.851 -11.699 5.562 1.00 23.24 C ATOM 1468 CE2 PHE B 120 -11.860 -12.076 7.720 1.00 29.22 C ATOM 1469 CZ PHE B 120 -11.539 -12.529 6.433 1.00 25.87 C ATOM 1470 HA PHE B 120 -8.905 -9.456 8.975 1.00 0.00 H ATOM 1471 HB2 PHE B 120 -11.042 -8.229 8.433 1.00 0.00 H ATOM 1472 HB3 PHE B 120 -10.336 -7.936 6.826 1.00 0.00 H ATOM 1473 HD2 PHE B 120 -11.735 -10.446 9.117 1.00 0.00 H ATOM 1474 HE2 PHE B 120 -12.403 -12.724 8.408 1.00 0.00 H ATOM 1475 HZ PHE B 120 -11.830 -13.531 6.118 1.00 0.00 H ATOM 1476 HE1 PHE B 120 -10.601 -12.046 4.560 1.00 0.00 H ATOM 1477 HD1 PHE B 120 -9.940 -9.779 5.277 1.00 0.00 H ATOM 1478 H PHE B 120 -8.957 -6.452 8.550 1.00 0.00 H ATOM 1479 N ASP B 121 -6.977 -9.617 7.308 1.00 22.03 N ATOM 1480 CA ASP B 121 -5.904 -9.741 6.334 1.00 20.95 C ATOM 1481 C ASP B 121 -6.265 -10.568 5.122 1.00 21.58 C ATOM 1482 O ASP B 121 -6.023 -10.160 3.989 1.00 21.60 O ATOM 1483 CB ASP B 121 -4.661 -10.333 6.986 1.00 23.54 C ATOM 1484 CG ASP B 121 -3.425 -10.099 6.158 1.00 25.27 C ATOM 1485 OD1 ASP B 121 -3.044 -8.919 5.979 1.00 30.53 O ATOM 1486 OD2 ASP B 121 -2.838 -11.092 5.678 1.00 28.43 O ATOM 1487 HA ASP B 121 -5.713 -8.727 5.982 1.00 0.00 H ATOM 1488 HB2 ASP B 121 -4.523 -9.872 7.964 1.00 0.00 H ATOM 1489 HB3 ASP B 121 -4.805 -11.406 7.109 1.00 0.00 H ATOM 1490 H ASP B 121 -7.035 -10.296 8.094 1.00 0.00 H ATOM 1491 N ALA B 122 -6.842 -11.739 5.350 1.00 23.35 N ATOM 1492 CA ALA B 122 -7.222 -12.588 4.241 1.00 22.48 C ATOM 1493 C ALA B 122 -8.003 -13.799 4.702 1.00 24.09 C ATOM 1494 O ALA B 122 -8.183 -14.026 5.891 1.00 24.09 O ATOM 1495 CB ALA B 122 -5.978 -13.033 3.485 1.00 23.61 C ATOM 1496 HA ALA B 122 -7.868 -12.008 3.583 1.00 0.00 H ATOM 1497 HB1 ALA B 122 -5.452 -12.157 3.106 1.00 0.00 H ATOM 1498 HB2 ALA B 122 -5.324 -13.588 4.158 1.00 0.00 H ATOM 1499 HB3 ALA B 122 -6.270 -13.672 2.651 1.00 0.00 H ATOM 1500 H ALA B 122 -7.022 -12.048 6.327 1.00 0.00 H ATOM 1501 N SER B 123 -8.462 -14.576 3.732 1.00 27.35 N ATOM 1502 CA SER B 123 -9.215 -15.782 3.995 1.00 31.80 C ATOM 1503 C SER B 123 -8.678 -16.816 3.026 1.00 34.65 C ATOM 1504 O SER B 123 -8.695 -16.606 1.815 1.00 37.43 O ATOM 1505 CB SER B 123 -10.705 -15.553 3.731 1.00 35.35 C ATOM 1506 OG SER B 123 -10.903 -14.969 2.457 1.00 38.62 O ATOM 1507 HA SER B 123 -9.112 -16.097 5.033 1.00 0.00 H ATOM 1508 HB2 SER B 123 -11.106 -14.888 4.496 1.00 0.00 H ATOM 1509 HB3 SER B 123 -11.227 -16.509 3.772 1.00 0.00 H ATOM 1510 HG SER B 123 -10.543 -15.572 1.759 1.00 0.00 H ATOM 1511 H SER B 123 -8.274 -14.309 2.745 1.00 0.00 H ATOM 1512 N VAL B 124 -8.184 -17.927 3.561 1.00 36.21 N ATOM 1513 CA VAL B 124 -7.648 -18.992 2.724 1.00 37.15 C ATOM 1514 C VAL B 124 -8.613 -20.170 2.659 1.00 35.79 C ATOM 1515 O VAL B 124 -8.517 -21.079 3.505 1.00 39.72 O ATOM 1516 CB VAL B 124 -6.272 -19.466 3.247 1.00 39.43 C ATOM 1517 CG1 VAL B 124 -5.188 -18.512 2.759 1.00 38.08 C ATOM 1518 CG2 VAL B 124 -6.275 -19.505 4.773 1.00 44.38 C ATOM 1519 HA VAL B 124 -7.519 -18.590 1.719 1.00 0.00 H ATOM 1520 OXT VAL B 124 -9.464 -20.167 1.750 1.00 36.26 O ATOM 1521 HB VAL B 124 -6.072 -20.469 2.870 1.00 0.00 H ATOM 1522 HG11 VAL B 124 -5.179 -18.501 1.669 1.00 0.00 H ATOM 1523 HG12 VAL B 124 -5.394 -17.509 3.132 1.00 0.00 H ATOM 1524 HG13 VAL B 124 -4.218 -18.847 3.128 1.00 0.00 H ATOM 1525 HG21 VAL B 124 -6.481 -18.507 5.160 1.00 0.00 H ATOM 1526 HG22 VAL B 124 -7.046 -20.195 5.116 1.00 0.00 H ATOM 1527 HG23 VAL B 124 -5.301 -19.840 5.129 1.00 0.00 H ATOM 1528 H VAL B 124 -8.180 -18.038 4.595 1.00 0.00 H TER 1529 VAL B 124 HETATM 1530 O HOH 1 -18.491 -1.560 16.993 1.00 33.68 O HETATM 1531 O HOH 2 -12.471 -5.808 22.223 1.00 31.36 O HETATM 1532 O HOH 3 -8.443 -0.939 19.870 1.00 36.79 O HETATM 1533 O HOH 4 -15.687 4.394 22.309 1.00 52.77 O HETATM 1534 O HOH 5 -25.151 -9.299 13.938 1.00 45.09 O HETATM 1535 O HOH 6 -8.197 3.073 19.591 1.00 48.90 O HETATM 1536 O HOH 7 -14.416 -4.150 21.089 1.00 46.26 O HETATM 1537 O HOH 8 -6.639 -3.144 20.198 1.00 36.16 O HETATM 1538 O HOH 9 -12.088 -6.706 17.368 1.00 18.71 O HETATM 1539 O HOH 10 -13.120 -7.923 19.423 1.00 44.48 O HETATM 1540 O HOH 11 -17.903 -11.153 -4.016 1.00 17.79 O HETATM 1541 O HOH 12 -16.723 6.529 -3.365 1.00 46.05 O HETATM 1542 O HOH 13 -24.901 3.165 9.368 1.00 28.65 O HETATM 1543 O HOH 14 -6.955 -15.358 21.377 1.00 38.12 O HETATM 1544 O HOH 15 -19.793 -13.821 21.655 1.00 32.45 O HETATM 1545 O HOH 16 -10.110 -22.108 14.488 1.00 25.39 O HETATM 1546 O HOH 17 -29.049 3.414 8.375 1.00 34.86 O HETATM 1547 O HOH 18 -9.934 -1.803 12.687 1.00 23.13 O HETATM 1548 O HOH 19 -21.871 -13.799 19.603 1.00 40.31 O HETATM 1549 O HOH 20 -19.288 -19.393 15.926 1.00 29.89 O HETATM 1550 O HOH 21 -11.351 -3.173 10.335 1.00 26.19 O HETATM 1551 O HOH 22 -11.812 -19.760 17.040 1.00 15.60 O HETATM 1552 O HOH 23 -12.094 -7.518 3.899 1.00 22.56 O HETATM 1553 O HOH 24 -19.586 -18.270 21.800 1.00 30.19 O HETATM 1554 O HOH 25 -16.035 -21.707 14.269 1.00 30.19 O HETATM 1555 O HOH 26 -7.913 -4.291 23.249 1.00 40.77 O HETATM 1556 O HOH 27 -17.384 5.659 -6.423 1.00 29.09 O HETATM 1557 O HOH 28 -15.373 8.375 -6.706 1.00 52.57 O HETATM 1558 O HOH 29 -16.073 -0.222 -9.656 1.00 32.97 O HETATM 1559 O HOH 30 -3.777 -13.152 23.503 1.00 54.29 O HETATM 1560 O HOH 31 0.193 -5.622 10.407 1.00 36.06 O HETATM 1561 O HOH 32 -16.269 -23.286 12.261 1.00 40.56 O HETATM 1562 O HOH 33 -11.702 -2.294 0.773 1.00 30.36 O HETATM 1563 O HOH 34 -22.423 -17.389 -3.309 1.00 43.12 O HETATM 1564 O HOH 35 6.061 -22.821 13.308 1.00 52.10 O HETATM 1565 O HOH 36 -13.789 1.243 -7.987 1.00 34.38 O HETATM 1566 O HOH 37 -18.613 -20.938 20.887 1.00 47.30 O HETATM 1567 O HOH 38 -20.748 11.163 6.634 1.00 44.56 O HETATM 1568 O HOH 39 -16.556 -6.875 25.392 1.00 65.13 O HETATM 1569 O HOH 40 -14.192 2.253 -5.120 1.00 37.98 O HETATM 1570 O HOH 41 -9.405 -6.714 3.309 1.00 31.27 O HETATM 1571 N LYS A 42 -13.451 8.280 19.730 1.00 0.24 N HETATM 1572 CA LYS A 42 -14.708 7.492 19.887 1.00 0.07 C HETATM 1573 C LYS A 42 -14.493 6.028 19.503 1.00 0.23 C HETATM 1574 O LYS A 42 -14.351 5.171 20.379 1.00 -0.39 O HETATM 1575 N LYS A 42 -14.451 5.743 18.199 1.00 -0.26 N HETATM 1576 CA LYS A 42 -14.276 4.371 17.725 1.00 0.13 C HETATM 1577 C LYS A 42 -12.842 3.858 17.674 1.00 0.20 C HETATM 1578 O LYS A 42 -11.996 4.401 16.964 1.00 -0.39 O HETATM 1579 N LYS A 42 -12.589 2.788 18.421 1.00 -0.26 N HETATM 1580 CA LYS A 42 -11.280 2.154 18.482 1.00 0.16 C HETATM 1581 C LYS A 42 -11.105 1.177 17.310 1.00 0.21 C HETATM 1582 O LYS A 42 -12.062 0.881 16.592 1.00 -0.39 O HETATM 1583 N LYS A 42 -9.887 0.676 17.121 1.00 -0.26 N HETATM 1584 CA LYS A 42 -9.601 -0.250 16.028 1.00 0.13 C HETATM 1585 C LYS A 42 -10.334 -1.579 16.160 1.00 0.20 C HETATM 1586 O LYS A 42 -10.798 -2.138 15.169 1.00 -0.39 O HETATM 1587 N LYS A 42 -10.428 -2.092 17.381 1.00 -0.26 N HETATM 1588 CA LYS A 42 -11.118 -3.352 17.603 1.00 0.13 C HETATM 1589 C LYS A 42 -12.625 -3.162 17.405 1.00 0.20 C HETATM 1590 O LYS A 42 -13.302 -4.036 16.868 1.00 -0.39 O HETATM 1591 N LYS A 42 -13.141 -2.013 17.836 1.00 -0.26 N HETATM 1592 CA LYS A 42 -14.560 -1.701 17.682 1.00 0.13 C HETATM 1593 C LYS A 42 -14.866 -1.591 16.187 1.00 0.20 C HETATM 1594 O LYS A 42 -15.876 -2.102 15.707 1.00 -0.39 O HETATM 1595 N LYS A 42 -13.983 -0.918 15.457 1.00 -0.26 N HETATM 1596 CA LYS A 42 -14.135 -0.738 14.017 1.00 0.13 C HETATM 1597 C LYS A 42 -14.139 -2.078 13.280 1.00 0.20 C HETATM 1598 O LYS A 42 -14.893 -2.269 12.326 1.00 -0.39 O HETATM 1599 N LYS A 42 -13.288 -3.004 13.712 1.00 -0.26 N HETATM 1600 CA LYS A 42 -13.223 -4.326 13.092 1.00 0.14 C HETATM 1601 C LYS A 42 -14.572 -5.019 13.301 1.00 0.21 C HETATM 1602 O LYS A 42 -15.132 -5.616 12.380 1.00 -0.39 O HETATM 1603 N LYS A 42 -15.097 -4.933 14.520 1.00 -0.26 N HETATM 1604 CA LYS A 42 -16.379 -5.559 14.835 1.00 0.13 C HETATM 1605 C LYS A 42 -17.525 -5.052 13.964 1.00 0.20 C HETATM 1606 O LYS A 42 -18.287 -5.847 13.412 1.00 -0.39 O HETATM 1607 N LYS A 42 -17.643 -3.733 13.855 1.00 -0.26 N HETATM 1608 CA LYS A 42 -18.690 -3.111 13.059 1.00 0.13 C HETATM 1609 C LYS A 42 -18.565 -3.444 11.576 1.00 0.20 C HETATM 1610 O LYS A 42 -19.559 -3.657 10.886 1.00 -0.39 O HETATM 1611 N LYS A 42 -17.333 -3.485 11.092 1.00 -0.26 N HETATM 1612 CA LYS A 42 -17.084 -3.754 9.687 1.00 0.13 C HETATM 1613 C LYS A 42 -17.093 -5.214 9.264 1.00 0.20 C HETATM 1614 O LYS A 42 -17.450 -5.515 8.127 1.00 -0.39 O HETATM 1615 N LYS A 42 -16.706 -6.124 10.155 1.00 -0.26 N HETATM 1616 CA LYS A 42 -16.608 -7.527 9.772 1.00 0.14 C HETATM 1617 C LYS A 42 -17.423 -8.569 10.510 1.00 0.21 C HETATM 1618 O LYS A 42 -17.491 -9.708 10.061 1.00 -0.39 O HETATM 1619 N LYS A 42 -18.038 -8.207 11.628 1.00 -0.26 N HETATM 1620 CA LYS A 42 -18.786 -9.197 12.391 1.00 0.13 C HETATM 1621 C LYS A 42 -20.264 -9.289 12.089 1.00 0.20 C HETATM 1622 O LYS A 42 -20.970 -8.292 12.102 1.00 -0.39 O HETATM 1623 N LYS A 42 -20.738 -10.495 11.818 1.00 -0.26 N HETATM 1624 CA LYS A 42 -22.155 -10.688 11.577 1.00 0.14 C HETATM 1625 C LYS A 42 -22.555 -12.077 12.031 1.00 0.21 C HETATM 1626 O LYS A 42 -22.985 -12.906 11.231 1.00 -0.39 O HETATM 1627 N LYS A 42 -22.405 -12.311 13.332 1.00 -0.26 N HETATM 1628 CA LYS A 42 -22.738 -13.592 13.941 1.00 0.15 C HETATM 1629 C LYS A 42 -24.167 -14.008 13.631 1.00 0.20 C HETATM 1630 O LYS A 42 -24.390 -14.985 12.911 1.00 -0.39 O HETATM 1631 N LYS A 42 -25.126 -13.263 14.180 1.00 -0.30 N HETATM 1632 H118 LYS A 42 -26.087 -13.484 14.015 1.00 0.18 H HETATM 1633 H119 LYS A 42 -24.884 -12.483 14.757 1.00 0.18 H HETATM 1634 CB LYS A 42 -22.549 -13.512 15.455 1.00 0.08 C HETATM 1635 OG LYS A 42 -22.027 -12.252 15.838 1.00 -0.39 O HETATM 1636 H117 LYS A 42 -21.919 -12.229 16.782 1.00 0.21 H HETATM 1637 H115 LYS A 42 -21.852 -14.301 15.772 1.00 0.06 H HETATM 1638 H116 LYS A 42 -23.521 -13.662 15.947 1.00 0.06 H HETATM 1639 H114 LYS A 42 -22.057 -14.356 13.538 1.00 0.08 H HETATM 1640 H113 LYS A 42 -22.050 -11.580 13.914 1.00 0.19 H HETATM 1641 CB LYS A 42 -22.514 -10.501 10.103 1.00 0.04 C HETATM 1642 CG LYS A 42 -24.006 -10.631 9.864 1.00 0.04 C HETATM 1643 OD1 LYS A 42 -24.783 -10.203 10.740 1.00 -0.57 O HETATM 1644 OD2 LYS A 42 -24.407 -11.170 8.809 1.00 -0.57 O HETATM 1645 H111 LYS A 42 -21.991 -11.265 9.510 1.00 0.05 H HETATM 1646 H112 LYS A 42 -22.188 -9.501 9.782 1.00 0.05 H HETATM 1647 H110 LYS A 42 -22.713 -9.946 12.167 1.00 0.08 H HETATM 1648 H109 LYS A 42 -20.116 -11.277 11.779 1.00 0.19 H HETATM 1649 CB LYS A 42 -18.609 -8.947 13.886 1.00 -0.00 C HETATM 1650 CG LYS A 42 -17.202 -9.201 14.369 1.00 -0.00 C HETATM 1651 SD LYS A 42 -16.649 -10.899 14.002 1.00 -0.16 S HETATM 1652 CE LYS A 42 -18.149 -11.875 14.416 1.00 -0.02 C HETATM 1653 H106 LYS A 42 -17.953 -12.943 14.237 1.00 0.03 H HETATM 1654 H107 LYS A 42 -18.987 -11.546 13.784 1.00 0.03 H HETATM 1655 H108 LYS A 42 -18.406 -11.722 15.475 1.00 0.03 H HETATM 1656 H104 LYS A 42 -17.166 -9.043 15.457 1.00 0.04 H HETATM 1657 H105 LYS A 42 -16.523 -8.492 13.873 1.00 0.04 H HETATM 1658 H102 LYS A 42 -19.292 -9.612 14.435 1.00 0.03 H HETATM 1659 H103 LYS A 42 -18.868 -7.899 14.098 1.00 0.03 H HETATM 1660 H101 LYS A 42 -18.348 -10.177 12.153 1.00 0.08 H HETATM 1661 H100 LYS A 42 -17.988 -7.260 11.945 1.00 0.19 H HETATM 1662 CB LYS A 42 -15.143 -7.958 9.823 1.00 0.01 C HETATM 1663 CG LYS A 42 -14.220 -7.066 9.054 1.00 -0.00 C HETATM 1664 ND1 LYS A 42 -14.234 -6.985 7.680 1.00 -0.33 N HETATM 1665 CE1 LYS A 42 -13.291 -6.151 7.277 1.00 0.09 C HETATM 1666 NE2 LYS A 42 -12.664 -5.689 8.343 1.00 -0.28 N HETATM 1667 CD2 LYS A 42 -13.228 -6.241 9.467 1.00 0.03 C HETATM 1668 H97 LYS A 42 -12.933 -6.051 10.498 1.00 0.07 H HETATM 1669 H99 LYS A 42 -11.879 -5.022 8.333 1.00 0.24 H HETATM 1670 H98 LYS A 42 -13.069 -5.890 6.243 1.00 0.12 H HETATM 1671 H95 LYS A 42 -15.067 -8.974 9.409 1.00 0.04 H HETATM 1672 H96 LYS A 42 -14.821 -7.965 10.875 1.00 0.04 H HETATM 1673 H94 LYS A 42 -16.940 -7.572 8.724 1.00 0.08 H HETATM 1674 H93 LYS A 42 -16.482 -5.845 11.089 1.00 0.19 H HETATM 1675 CB LYS A 42 -15.731 -3.189 9.281 1.00 0.00 C HETATM 1676 CG LYS A 42 -15.619 -1.691 9.260 1.00 0.04 C HETATM 1677 CD LYS A 42 -14.361 -1.248 8.534 1.00 0.17 C HETATM 1678 OE1 LYS A 42 -13.245 -1.620 8.910 1.00 -0.40 O HETATM 1679 NE2 LYS A 42 -14.537 -0.459 7.482 1.00 -0.30 N HETATM 1680 H91 LYS A 42 -13.746 -0.134 6.963 1.00 0.18 H HETATM 1681 H92 LYS A 42 -15.460 -0.189 7.208 1.00 0.18 H HETATM 1682 H89 LYS A 42 -15.587 -1.318 10.294 1.00 0.05 H HETATM 1683 H90 LYS A 42 -16.497 -1.272 8.746 1.00 0.05 H HETATM 1684 H87 LYS A 42 -15.503 -3.557 8.270 1.00 0.03 H HETATM 1685 H88 LYS A 42 -14.981 -3.572 9.989 1.00 0.03 H HETATM 1686 H86 LYS A 42 -17.871 -3.238 9.117 1.00 0.08 H HETATM 1687 H85 LYS A 42 -16.559 -3.328 11.706 1.00 0.19 H HETATM 1688 CB LYS A 42 -18.646 -1.584 13.220 1.00 -0.01 C HETATM 1689 CG LYS A 42 -19.643 -0.856 12.331 1.00 -0.02 C HETATM 1690 CD LYS A 42 -19.662 0.643 12.588 1.00 0.06 C HETATM 1691 NE LYS A 42 -18.353 1.242 12.358 1.00 -0.27 N HETATM 1692 CZ LYS A 42 -17.933 1.730 11.191 1.00 0.29 C HETATM 1693 NH1 LYS A 42 -16.718 2.250 11.097 1.00 -0.28 N HETATM 1694 H81 LYS A 42 -16.388 2.629 10.198 1.00 0.26 H HETATM 1695 H82 LYS A 42 -16.103 2.276 11.923 1.00 0.26 H HETATM 1696 NH2 LYS A 42 -18.722 1.709 10.115 1.00 -0.28 N HETATM 1697 H83 LYS A 42 -19.668 1.307 10.178 1.00 0.26 H HETATM 1698 H84 LYS A 42 -18.385 2.095 9.222 1.00 0.26 H HETATM 1699 H80 LYS A 42 -17.704 1.292 13.157 1.00 0.26 H HETATM 1700 H78 LYS A 42 -19.959 0.823 13.632 1.00 0.07 H HETATM 1701 H79 LYS A 42 -20.393 1.112 11.913 1.00 0.07 H HETATM 1702 H76 LYS A 42 -20.648 -1.260 12.523 1.00 0.03 H HETATM 1703 H77 LYS A 42 -19.372 -1.031 11.279 1.00 0.03 H HETATM 1704 H74 LYS A 42 -17.634 -1.235 12.968 1.00 0.03 H HETATM 1705 H75 LYS A 42 -18.868 -1.337 14.269 1.00 0.03 H HETATM 1706 H73 LYS A 42 -19.661 -3.481 13.420 1.00 0.08 H HETATM 1707 H72 LYS A 42 -16.990 -3.148 14.336 1.00 0.19 H HETATM 1708 CB LYS A 42 -16.719 -5.353 16.312 1.00 -0.00 C HETATM 1709 CG LYS A 42 -15.989 -6.338 17.244 1.00 0.00 C HETATM 1710 CD LYS A 42 -15.958 -5.898 18.707 1.00 0.04 C HETATM 1711 OE1 LYS A 42 -15.441 -6.669 19.543 1.00 -0.57 O HETATM 1712 OE2 LYS A 42 -16.442 -4.795 19.028 1.00 -0.57 O HETATM 1713 H70 LYS A 42 -14.952 -6.444 16.892 1.00 0.04 H HETATM 1714 H71 LYS A 42 -16.497 -7.312 17.186 1.00 0.04 H HETATM 1715 H68 LYS A 42 -17.803 -5.485 16.443 1.00 0.03 H HETATM 1716 H69 LYS A 42 -16.438 -4.328 16.596 1.00 0.03 H HETATM 1717 H67 LYS A 42 -16.275 -6.639 14.653 1.00 0.08 H HETATM 1718 H66 LYS A 42 -14.606 -4.432 15.233 1.00 0.19 H HETATM 1719 CB LYS A 42 -12.095 -5.158 13.728 1.00 0.02 C HETATM 1720 CG LYS A 42 -12.088 -6.614 13.312 1.00 -0.04 C HETATM 1721 CD1 LYS A 42 -11.276 -7.051 12.269 1.00 -0.06 C HETATM 1722 CE1 LYS A 42 -11.259 -8.402 11.889 1.00 -0.07 C HETATM 1723 CZ LYS A 42 -12.060 -9.325 12.553 1.00 -0.07 C HETATM 1724 CE2 LYS A 42 -12.876 -8.901 13.597 1.00 -0.07 C HETATM 1725 CD2 LYS A 42 -12.887 -7.549 13.973 1.00 -0.06 C HETATM 1726 H62 LYS A 42 -13.525 -7.226 14.788 1.00 0.06 H HETATM 1727 H64 LYS A 42 -13.503 -9.614 14.120 1.00 0.06 H HETATM 1728 H65 LYS A 42 -12.049 -10.368 12.259 1.00 0.06 H HETATM 1729 H63 LYS A 42 -10.620 -8.727 11.076 1.00 0.06 H HETATM 1730 H61 LYS A 42 -10.649 -6.339 11.744 1.00 0.06 H HETATM 1731 H59 LYS A 42 -12.207 -5.112 14.821 1.00 0.05 H HETATM 1732 H60 LYS A 42 -11.132 -4.712 13.439 1.00 0.05 H HETATM 1733 H58 LYS A 42 -13.028 -4.218 12.015 1.00 0.08 H HETATM 1734 H57 LYS A 42 -12.680 -2.792 14.477 1.00 0.19 H HETATM 1735 CB LYS A 42 -13.001 0.134 13.493 1.00 -0.01 C HETATM 1736 CG LYS A 42 -13.442 1.140 12.464 1.00 -0.04 C HETATM 1737 CD LYS A 42 -13.044 0.680 11.088 1.00 -0.01 C HETATM 1738 CE LYS A 42 -11.795 1.402 10.611 1.00 -0.04 C HETATM 1739 NZ LYS A 42 -10.714 1.402 11.648 1.00 0.22 N HETATM 1740 H54 LYS A 42 -9.907 1.889 11.292 1.00 0.20 H HETATM 1741 H55 LYS A 42 -10.462 0.452 11.870 1.00 0.20 H HETATM 1742 H56 LYS A 42 -11.046 1.865 12.479 1.00 0.20 H HETATM 1743 H52 LYS A 42 -12.057 2.443 10.371 1.00 0.08 H HETATM 1744 H53 LYS A 42 -11.419 0.901 9.707 1.00 0.08 H HETATM 1745 H50 LYS A 42 -13.867 0.885 10.388 1.00 0.03 H HETATM 1746 H51 LYS A 42 -12.846 -0.402 11.114 1.00 0.03 H HETATM 1747 H48 LYS A 42 -12.966 2.109 12.675 1.00 0.03 H HETATM 1748 H49 LYS A 42 -14.536 1.251 12.508 1.00 0.03 H HETATM 1749 H46 LYS A 42 -12.242 -0.519 13.038 1.00 0.03 H HETATM 1750 H47 LYS A 42 -12.558 0.676 14.342 1.00 0.03 H HETATM 1751 H45 LYS A 42 -15.093 -0.231 13.826 1.00 0.08 H HETATM 1752 H44 LYS A 42 -13.185 -0.520 15.911 1.00 0.19 H HETATM 1753 CB LYS A 42 -14.896 -0.375 18.391 1.00 -0.02 C HETATM 1754 H41 LYS A 42 -15.966 -0.154 18.267 1.00 0.03 H HETATM 1755 H42 LYS A 42 -14.300 0.438 17.950 1.00 0.03 H HETATM 1756 H43 LYS A 42 -14.662 -0.462 19.462 1.00 0.03 H HETATM 1757 H40 LYS A 42 -15.164 -2.508 18.123 1.00 0.08 H HETATM 1758 H39 LYS A 42 -12.541 -1.345 18.277 1.00 0.19 H HETATM 1759 CB LYS A 42 -10.823 -3.871 19.001 1.00 -0.02 C HETATM 1760 H36 LYS A 42 -11.350 -4.824 19.157 1.00 0.03 H HETATM 1761 H37 LYS A 42 -11.165 -3.136 19.745 1.00 0.03 H HETATM 1762 H38 LYS A 42 -9.740 -4.028 19.113 1.00 0.03 H HETATM 1763 H35 LYS A 42 -10.756 -4.088 16.871 1.00 0.08 H HETATM 1764 H34 LYS A 42 -10.020 -1.607 18.155 1.00 0.19 H HETATM 1765 CB LYS A 42 -8.107 -0.494 15.931 1.00 -0.02 C HETATM 1766 H31 LYS A 42 -7.902 -1.192 15.106 1.00 0.03 H HETATM 1767 H32 LYS A 42 -7.744 -0.926 16.875 1.00 0.03 H HETATM 1768 H33 LYS A 42 -7.591 0.459 15.742 1.00 0.03 H HETATM 1769 H30 LYS A 42 -9.935 0.224 15.093 1.00 0.08 H HETATM 1770 H29 LYS A 42 -9.149 0.940 17.742 1.00 0.19 H HETATM 1771 CB LYS A 42 -11.126 1.388 19.792 1.00 0.09 C HETATM 1772 OG1 LYS A 42 -11.925 0.202 19.745 1.00 -0.39 O HETATM 1773 H25 LYS A 42 -11.829 -0.275 20.561 1.00 0.21 H HETATM 1774 CG2 LYS A 42 -11.592 2.244 20.955 1.00 -0.03 C HETATM 1775 H26 LYS A 42 -11.476 1.682 21.893 1.00 0.03 H HETATM 1776 H27 LYS A 42 -12.650 2.509 20.814 1.00 0.03 H HETATM 1777 H28 LYS A 42 -10.987 3.162 21.000 1.00 0.03 H HETATM 1778 H24 LYS A 42 -10.069 1.117 19.935 1.00 0.06 H HETATM 1779 H23 LYS A 42 -10.504 2.931 18.424 1.00 0.08 H HETATM 1780 H22 LYS A 42 -13.332 2.401 18.966 1.00 0.19 H HETATM 1781 CB LYS A 42 -14.909 4.186 16.345 1.00 -0.00 C HETATM 1782 CG LYS A 42 -14.817 2.750 15.855 1.00 0.00 C HETATM 1783 CD LYS A 42 -15.637 2.487 14.611 1.00 0.04 C HETATM 1784 OE1 LYS A 42 -15.272 3.012 13.537 1.00 -0.57 O HETATM 1785 OE2 LYS A 42 -16.646 1.752 14.710 1.00 -0.57 O HETATM 1786 H20 LYS A 42 -15.174 2.085 16.655 1.00 0.04 H HETATM 1787 H21 LYS A 42 -13.764 2.524 15.633 1.00 0.04 H HETATM 1788 H18 LYS A 42 -14.390 4.838 15.627 1.00 0.03 H HETATM 1789 H19 LYS A 42 -15.969 4.473 16.401 1.00 0.03 H HETATM 1790 H17 LYS A 42 -14.819 3.727 18.433 1.00 0.08 H HETATM 1791 H16 LYS A 42 -14.541 6.483 17.533 1.00 0.19 H HETATM 1792 CB LYS A 42 -15.827 8.089 19.016 1.00 0.01 C HETATM 1793 CG LYS A 42 -16.080 9.579 19.224 1.00 -0.04 C HETATM 1794 CD LYS A 42 -16.983 10.167 18.130 1.00 -0.01 C HETATM 1795 CE LYS A 42 -16.176 10.903 17.067 1.00 -0.04 C HETATM 1796 NZ LYS A 42 -17.021 11.613 16.057 1.00 0.22 N HETATM 1797 H13 LYS A 42 -16.427 12.076 15.387 1.00 0.20 H HETATM 1798 H14 LYS A 42 -17.598 12.296 16.522 1.00 0.20 H HETATM 1799 H15 LYS A 42 -17.607 10.946 15.581 1.00 0.20 H HETATM 1800 H11 LYS A 42 -15.546 10.171 16.540 1.00 0.08 H HETATM 1801 H12 LYS A 42 -15.536 11.645 17.568 1.00 0.08 H HETATM 1802 H9 LYS A 42 -17.690 10.872 18.592 1.00 0.03 H HETATM 1803 H10 LYS A 42 -17.541 9.349 17.651 1.00 0.03 H HETATM 1804 H7 LYS A 42 -15.116 10.108 19.211 1.00 0.03 H HETATM 1805 H8 LYS A 42 -16.565 9.724 20.201 1.00 0.03 H HETATM 1806 H5 LYS A 42 -16.759 7.550 19.241 1.00 0.03 H HETATM 1807 H6 LYS A 42 -15.559 7.933 17.961 1.00 0.03 H HETATM 1808 H4 LYS A 42 -15.018 7.537 20.942 1.00 0.11 H HETATM 1809 H1 LYS A 42 -13.621 9.239 19.989 1.00 0.20 H HETATM 1810 H2 LYS A 42 -13.147 8.240 18.770 1.00 0.20 H HETATM 1811 H3 LYS A 42 -12.735 7.893 20.325 1.00 0.20 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 43 42 924 CONECT 280 279 1087 CONECT 548 547 1321 CONECT 648 647 746 CONECT 746 648 745 CONECT 924 43 923 CONECT 1087 280 1086 CONECT 1321 548 1320 CONECT 1571 1572 1809 1810 1811 CONECT 1572 1571 1573 1792 1808 CONECT 1573 1572 1574 1575 CONECT 1574 1573 CONECT 1575 1573 1576 1791 CONECT 1576 1575 1577 1781 1790 CONECT 1577 1576 1578 1579 CONECT 1578 1577 CONECT 1579 1577 1580 1780 CONECT 1580 1579 1581 1771 1779 CONECT 1581 1580 1582 1583 CONECT 1582 1581 CONECT 1583 1581 1584 1770 CONECT 1584 1583 1585 1765 1769 CONECT 1585 1584 1586 1587 CONECT 1586 1585 CONECT 1587 1585 1588 1764 CONECT 1588 1587 1589 1759 1763 CONECT 1589 1588 1590 1591 CONECT 1590 1589 CONECT 1591 1589 1592 1758 CONECT 1592 1591 1593 1753 1757 CONECT 1593 1592 1594 1595 CONECT 1594 1593 CONECT 1595 1593 1596 1752 CONECT 1596 1595 1597 1735 1751 CONECT 1597 1596 1598 1599 CONECT 1598 1597 CONECT 1599 1597 1600 1734 CONECT 1600 1599 1601 1719 1733 CONECT 1601 1600 1602 1603 CONECT 1602 1601 CONECT 1603 1601 1604 1718 CONECT 1604 1603 1605 1708 1717 CONECT 1605 1604 1606 1607 CONECT 1606 1605 CONECT 1607 1605 1608 1707 CONECT 1608 1607 1609 1688 1706 CONECT 1609 1608 1610 1611 CONECT 1610 1609 CONECT 1611 1609 1612 1687 CONECT 1612 1611 1613 1675 1686 CONECT 1613 1612 1614 1615 CONECT 1614 1613 CONECT 1615 1613 1616 1674 CONECT 1616 1615 1617 1662 1673 CONECT 1617 1616 1618 1619 CONECT 1618 1617 CONECT 1619 1617 1620 1661 CONECT 1620 1619 1621 1649 1660 CONECT 1621 1620 1622 1623 CONECT 1622 1621 CONECT 1623 1621 1624 1648 CONECT 1624 1623 1625 1641 1647 CONECT 1625 1624 1626 1627 CONECT 1626 1625 CONECT 1627 1625 1628 1640 CONECT 1628 1627 1629 1634 1639 CONECT 1629 1628 1630 1631 CONECT 1630 1629 CONECT 1631 1629 1632 1633 CONECT 1632 1631 CONECT 1633 1631 CONECT 1634 1628 1635 1637 1638 CONECT 1635 1634 1636 CONECT 1636 1635 CONECT 1637 1634 CONECT 1638 1634 CONECT 1639 1628 CONECT 1640 1627 CONECT 1641 1624 1642 1645 1646 CONECT 1642 1641 1643 1644 CONECT 1643 1642 CONECT 1644 1642 CONECT 1645 1641 CONECT 1646 1641 CONECT 1647 1624 CONECT 1648 1623 CONECT 1649 1620 1650 1658 1659 CONECT 1650 1649 1651 1656 1657 CONECT 1651 1650 1652 CONECT 1652 1651 1653 1654 1655 CONECT 1653 1652 CONECT 1654 1652 CONECT 1655 1652 CONECT 1656 1650 CONECT 1657 1650 CONECT 1658 1649 CONECT 1659 1649 CONECT 1660 1620 CONECT 1661 1619 CONECT 1662 1616 1663 1671 1672 CONECT 1663 1662 1664 1667 CONECT 1664 1663 1665 CONECT 1665 1664 1666 1670 CONECT 1666 1665 1667 1669 CONECT 1667 1663 1666 1668 CONECT 1668 1667 CONECT 1669 1666 CONECT 1670 1665 CONECT 1671 1662 CONECT 1672 1662 CONECT 1673 1616 CONECT 1674 1615 CONECT 1675 1612 1676 1684 1685 CONECT 1676 1675 1677 1682 1683 CONECT 1677 1676 1678 1679 CONECT 1678 1677 CONECT 1679 1677 1680 1681 CONECT 1680 1679 CONECT 1681 1679 CONECT 1682 1676 CONECT 1683 1676 CONECT 1684 1675 CONECT 1685 1675 CONECT 1686 1612 CONECT 1687 1611 CONECT 1688 1608 1689 1704 1705 CONECT 1689 1688 1690 1702 1703 CONECT 1690 1689 1691 1700 1701 CONECT 1691 1690 1692 1699 CONECT 1692 1691 1693 1696 CONECT 1693 1692 1694 1695 CONECT 1694 1693 CONECT 1695 1693 CONECT 1696 1692 1697 1698 CONECT 1697 1696 CONECT 1698 1696 CONECT 1699 1691 CONECT 1700 1690 CONECT 1701 1690 CONECT 1702 1689 CONECT 1703 1689 CONECT 1704 1688 CONECT 1705 1688 CONECT 1706 1608 CONECT 1707 1607 CONECT 1708 1604 1709 1715 1716 CONECT 1709 1708 1710 1713 1714 CONECT 1710 1709 1711 1712 CONECT 1711 1710 CONECT 1712 1710 CONECT 1713 1709 CONECT 1714 1709 CONECT 1715 1708 CONECT 1716 1708 CONECT 1717 1604 CONECT 1718 1603 CONECT 1719 1600 1720 1731 1732 CONECT 1720 1719 1721 1725 CONECT 1721 1720 1722 1730 CONECT 1722 1721 1723 1729 CONECT 1723 1722 1724 1728 CONECT 1724 1723 1725 1727 CONECT 1725 1720 1724 1726 CONECT 1726 1725 CONECT 1727 1724 CONECT 1728 1723 CONECT 1729 1722 CONECT 1730 1721 CONECT 1731 1719 CONECT 1732 1719 CONECT 1733 1600 CONECT 1734 1599 CONECT 1735 1596 1736 1749 1750 CONECT 1736 1735 1737 1747 1748 CONECT 1737 1736 1738 1745 1746 CONECT 1738 1737 1739 1743 1744 CONECT 1739 1738 1740 1741 1742 CONECT 1740 1739 CONECT 1741 1739 CONECT 1742 1739 CONECT 1743 1738 CONECT 1744 1738 CONECT 1745 1737 CONECT 1746 1737 CONECT 1747 1736 CONECT 1748 1736 CONECT 1749 1735 CONECT 1750 1735 CONECT 1751 1596 CONECT 1752 1595 CONECT 1753 1592 1754 1755 1756 CONECT 1754 1753 CONECT 1755 1753 CONECT 1756 1753 CONECT 1757 1592 CONECT 1758 1591 CONECT 1759 1588 1760 1761 1762 CONECT 1760 1759 CONECT 1761 1759 CONECT 1762 1759 CONECT 1763 1588 CONECT 1764 1587 CONECT 1765 1584 1766 1767 1768 CONECT 1766 1765 CONECT 1767 1765 CONECT 1768 1765 CONECT 1769 1584 CONECT 1770 1583 CONECT 1771 1580 1772 1774 1778 CONECT 1772 1771 1773 CONECT 1773 1772 CONECT 1774 1771 1775 1776 1777 CONECT 1775 1774 CONECT 1776 1774 CONECT 1777 1774 CONECT 1778 1771 CONECT 1779 1580 CONECT 1780 1579 CONECT 1781 1576 1782 1788 1789 CONECT 1782 1781 1783 1786 1787 CONECT 1783 1782 1784 1785 CONECT 1784 1783 CONECT 1785 1783 CONECT 1786 1782 CONECT 1787 1782 CONECT 1788 1781 CONECT 1789 1781 CONECT 1790 1576 CONECT 1791 1575 CONECT 1792 1572 1793 1806 1807 CONECT 1793 1792 1794 1804 1805 CONECT 1794 1793 1795 1802 1803 CONECT 1795 1794 1796 1800 1801 CONECT 1796 1795 1797 1798 1799 CONECT 1797 1796 CONECT 1798 1796 CONECT 1799 1796 CONECT 1800 1795 CONECT 1801 1795 CONECT 1802 1794 CONECT 1803 1794 CONECT 1804 1793 CONECT 1805 1793 CONECT 1806 1792 CONECT 1807 1792 CONECT 1808 1572 CONECT 1809 1571 CONECT 1810 1571 CONECT 1811 1571 MASTER 0 0 0 0 0 0 0 0 1810 1 253 8 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 1j80
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1afk
RCSB PDB
PDBbind
124aa, >1AFK_1|Chains... at 99%
1afl
RCSB PDB
PDBbind
124aa, >1AFL_1|Chains... at 99%
1dfj
RCSB PDB
PDBbind
124aa, >1DFJ_1|Chain... at 99%
1j7z
RCSB PDB
PDBbind
104aa, >1J7Z_2|Chain... at 99%
1j81
RCSB PDB
PDBbind
104aa, >1J81_2|Chain... at 99%
1jn4
RCSB PDB
PDBbind
124aa, >1JN4_1|Chains... at 99%
1jvu
RCSB PDB
PDBbind
124aa, >1JVU_1|Chains... at 99%
1o0f
RCSB PDB
PDBbind
124aa, >1O0F_1|Chains... at 99%
1o0h
RCSB PDB
PDBbind
124aa, >1O0H_1|Chains... at 99%
1o0m
RCSB PDB
PDBbind
124aa, >1O0M_1|Chains... at 99%
1o0n
RCSB PDB
PDBbind
124aa, >1O0N_1|Chains... at 99%
1o0o
RCSB PDB
PDBbind
124aa, >1O0O_1|Chains... at 99%
1qhc
RCSB PDB
PDBbind
124aa, >1QHC_1|Chains... at 99%
1rnm
RCSB PDB
PDBbind
124aa, >1RNM_1|Chain... at 99%
1rpf
RCSB PDB
PDBbind
124aa, >1RPF_1|Chain... at 99%
1u1b
RCSB PDB
PDBbind
124aa, >1U1B_1|Chains... at 99%
1w4o
RCSB PDB
PDBbind
124aa, >1W4O_1|Chains... at 99%
1w4p
RCSB PDB
PDBbind
124aa, >1W4P_1|Chains... at 99%
1w4q
RCSB PDB
PDBbind
124aa, >1W4Q_1|Chains... at 99%
1z6d
RCSB PDB
PDBbind
124aa, >1Z6D_1|Chains... at 99%
1z6s
RCSB PDB
PDBbind
124aa, >1Z6S_1|Chains... at 99%
2g8r
RCSB PDB
PDBbind
124aa, >2G8R_1|Chains... at 99%
2w5g
RCSB PDB
PDBbind
124aa, >2W5G_1|Chains... at 99%
2w5i
RCSB PDB
PDBbind
124aa, >2W5I_1|Chains... at 99%
2xog
RCSB PDB
PDBbind
124aa, >2XOG_1|Chains... at 99%
2xoi
RCSB PDB
PDBbind
124aa, >2XOI_1|Chains... at 99%
3d6o
RCSB PDB
PDBbind
124aa, >3D6O_1|Chains... at 99%
3d6p
RCSB PDB
PDBbind
124aa, >3D6P_1|Chains... at 99%
3d6q
RCSB PDB
PDBbind
124aa, >3D6Q_1|Chains... at 99%
3d7b
RCSB PDB
PDBbind
124aa, >3D7B_1|Chains... at 99%
3d8y
RCSB PDB
PDBbind
124aa, >3D8Y_1|Chains... at 99%
3d8z
RCSB PDB
PDBbind
124aa, >3D8Z_1|Chains... at 99%
3dxg
RCSB PDB
PDBbind
124aa, >3DXG_1|Chains... at 99%
3dxh
RCSB PDB
PDBbind
124aa, >3DXH_1|Chains... at 99%
3lxo
RCSB PDB
PDBbind
124aa, >3LXO_1|Chain... at 99%
4g8v
RCSB PDB
PDBbind
124aa, >4G8V_1|Chains... at 99%
4g8y
RCSB PDB
PDBbind
124aa, >4G8Y_1|Chains... at 99%
4g90
RCSB PDB
PDBbind
124aa, >4G90_1|Chains... at 99%
4peq
RCSB PDB
PDBbind
124aa, >4PEQ_1|Chains... at 99%
4rsk
RCSB PDB
PDBbind
124aa, >4RSK_1|Chain... at 96%
4wyp
RCSB PDB
PDBbind
125aa, >4WYP_1|Chains... *
4wyz
RCSB PDB
PDBbind
125aa, >4WYZ_1|Chains... at 100%
6rsa
RCSB PDB
PDBbind
124aa, >6RSA_1|Chain... at 99%
6pvx
RCSB PDB
PDBbind
124aa, >6PVX_1|Chains... at 99%
6pvw
RCSB PDB
PDBbind
124aa, >6PVW_1|Chains... at 99%
6pvv
RCSB PDB
PDBbind
124aa, >6PVV_1|Chains... at 99%
6pvu
RCSB PDB
PDBbind
124aa, >6PVU_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a37
RCSB PDB
PDBbind
15-mer
1eol
RCSB PDB
PDBbind
15-mer
1j7z
RCSB PDB
PDBbind
15-mer
1j81
RCSB PDB
PDBbind
15-mer
1jyc
RCSB PDB
PDBbind
15-mer
1kc5
RCSB PDB
PDBbind
15-mer
1kcs
RCSB PDB
PDBbind
15-mer
1klg
RCSB PDB
PDBbind
15-mer
1klu
RCSB PDB
PDBbind
15-mer
1kna
RCSB PDB
PDBbind
15-mer
1kne
RCSB PDB
PDBbind
15-mer
1om9
RCSB PDB
PDBbind
15-mer
1t08
RCSB PDB
PDBbind
15-mer
1t79
RCSB PDB
PDBbind
15-mer
1t7f
RCSB PDB
PDBbind
15-mer
1t7r
RCSB PDB
PDBbind
15-mer
1tet
RCSB PDB
PDBbind
15-mer
1w70
RCSB PDB
PDBbind
15-mer
1xhm
RCSB PDB
PDBbind
15-mer
2aq9
RCSB PDB
PDBbind
15-mer
2auc
RCSB PDB
PDBbind
15-mer
2bba
RCSB PDB
PDBbind
15-mer
2co0
RCSB PDB
PDBbind
15-mer
2d1x
RCSB PDB
PDBbind
15-mer
2f6j
RCSB PDB
PDBbind
15-mer
2fsa
RCSB PDB
PDBbind
15-mer
2fuu
RCSB PDB
PDBbind
15-mer
2jk9
RCSB PDB
PDBbind
15-mer
2k00
RCSB PDB
PDBbind
15-mer
2ksp
RCSB PDB
PDBbind
15-mer
2kwn
RCSB PDB
PDBbind
15-mer
2l11
RCSB PDB
PDBbind
15-mer
2l12
RCSB PDB
PDBbind
15-mer
2l1b
RCSB PDB
PDBbind
15-mer
2lbm
RCSB PDB
PDBbind
15-mer
2lgf
RCSB PDB
PDBbind
15-mer
2ltx
RCSB PDB
PDBbind
15-mer
2lty
RCSB PDB
PDBbind
15-mer
2ltz
RCSB PDB
PDBbind
15-mer
2m41
RCSB PDB
PDBbind
15-mer
2mwo
RCSB PDB
PDBbind
15-mer
2mwy
RCSB PDB
PDBbind
15-mer
2n9e
RCSB PDB
PDBbind
15-mer
2pmc
RCSB PDB
PDBbind
15-mer
2rnw
RCSB PDB
PDBbind
15-mer
2rny
RCSB PDB
PDBbind
15-mer
2vwf
RCSB PDB
PDBbind
15-mer
2w0p
RCSB PDB
PDBbind
15-mer
2xxn
RCSB PDB
PDBbind
15-mer
2z5s
RCSB PDB
PDBbind
15-mer
2z5t
RCSB PDB
PDBbind
15-mer
3b95
RCSB PDB
PDBbind
15-mer
3btr
RCSB PDB
PDBbind
15-mer
3bu6
RCSB PDB
PDBbind
15-mer
3cfs
RCSB PDB
PDBbind
15-mer
3dab
RCSB PDB
PDBbind
15-mer
3fdt
RCSB PDB
PDBbind
15-mer
3ghe
RCSB PDB
PDBbind
15-mer
3gv6
RCSB PDB
PDBbind
15-mer
3h1z
RCSB PDB
PDBbind
15-mer
3h91
RCSB PDB
PDBbind
15-mer
3hqh
RCSB PDB
PDBbind
15-mer
3jpx
RCSB PDB
PDBbind
15-mer
3l3q
RCSB PDB
PDBbind
15-mer
3l6f
RCSB PDB
PDBbind
15-mer
3m17
RCSB PDB
PDBbind
15-mer
3o6l
RCSB PDB
PDBbind
15-mer
3ql9
RCSB PDB
PDBbind
15-mer
3qlc
RCSB PDB
PDBbind
15-mer
3qo2
RCSB PDB
PDBbind
15-mer
3qxd
RCSB PDB
PDBbind
15-mer
3r93
RCSB PDB
PDBbind
15-mer
3uig
RCSB PDB
PDBbind
15-mer
3uih
RCSB PDB
PDBbind
15-mer
3uij
RCSB PDB
PDBbind
15-mer
3wp0
RCSB PDB
PDBbind
15-mer
3wsy
RCSB PDB
PDBbind
15-mer
4b4n
RCSB PDB
PDBbind
15-mer
4bxu
RCSB PDB
PDBbind
15-mer
4cy1
RCSB PDB
PDBbind
15-mer
4dma
RCSB PDB
PDBbind
15-mer
4dx9
RCSB PDB
PDBbind
15-mer
4ezo
RCSB PDB
PDBbind
15-mer
4ft2
RCSB PDB
PDBbind
15-mer
4gnf
RCSB PDB
PDBbind
15-mer
4gng
RCSB PDB
PDBbind
15-mer
4hfz
RCSB PDB
PDBbind
15-mer
4iur
RCSB PDB
PDBbind
15-mer
4iut
RCSB PDB
PDBbind
15-mer
4iuu
RCSB PDB
PDBbind
15-mer
4iuv
RCSB PDB
PDBbind
15-mer
4j8s
RCSB PDB
PDBbind
15-mer
4k0u
RCSB PDB
PDBbind
15-mer
4n3w
RCSB PDB
PDBbind
15-mer
4n5t
RCSB PDB
PDBbind
15-mer
4nb3
RCSB PDB
PDBbind
15-mer
4nmx
RCSB PDB
PDBbind
15-mer
4nw2
RCSB PDB
PDBbind
15-mer
4o36
RCSB PDB
PDBbind
15-mer
4o37
RCSB PDB
PDBbind
15-mer
4o3u
RCSB PDB
PDBbind
15-mer
4o42
RCSB PDB
PDBbind
15-mer
4o45
RCSB PDB
PDBbind
15-mer
4os1
RCSB PDB
PDBbind
15-mer
4os4
RCSB PDB
PDBbind
15-mer
4os5
RCSB PDB
PDBbind
15-mer
4os7
RCSB PDB
PDBbind
15-mer
4psx
RCSB PDB
PDBbind
15-mer
4r1e
RCSB PDB
PDBbind
15-mer
4r3s
RCSB PDB
PDBbind
15-mer
4rrv
RCSB PDB
PDBbind
15-mer
4u0a
RCSB PDB
PDBbind
15-mer
4u0b
RCSB PDB
PDBbind
15-mer
4u6x
RCSB PDB
PDBbind
15-mer
4u6y
RCSB PDB
PDBbind
15-mer
4xyn
RCSB PDB
PDBbind
15-mer
5cfa
RCSB PDB
PDBbind
15-mer
5cin
RCSB PDB
PDBbind
15-mer
5cqx
RCSB PDB
PDBbind
15-mer
5dif
RCSB PDB
PDBbind
15-mer
5epp
RCSB PDB
PDBbind
15-mer
5etf
RCSB PDB
PDBbind
15-mer
5fb0
RCSB PDB
PDBbind
15-mer
5fb1
RCSB PDB
PDBbind
15-mer
5h5q
RCSB PDB
PDBbind
15-mer
5h5r
RCSB PDB
PDBbind
15-mer
5ix1
RCSB PDB
PDBbind
15-mer
5izu
RCSB PDB
PDBbind
15-mer
5j19
RCSB PDB
PDBbind
15-mer
5j9k
RCSB PDB
PDBbind
15-mer
5jlz
RCSB PDB
PDBbind
15-mer
5ksu
RCSB PDB
PDBbind
15-mer
5ksv
RCSB PDB
PDBbind
15-mer
5kzp
RCSB PDB
PDBbind
15-mer
5lax
RCSB PDB
PDBbind
15-mer
5mlo
RCSB PDB
PDBbind
15-mer
5o45
RCSB PDB
PDBbind
15-mer
5svz
RCSB PDB
PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
RCSB PDB
PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5ul6
RCSB PDB
PDBbind
15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
RCSB PDB
PDBbind
15-mer
5vb9
RCSB PDB
PDBbind
15-mer
5vzy
RCSB PDB
PDBbind
15-mer
5wir
RCSB PDB
PDBbind
15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
PDBbind
15-mer
5zuj
RCSB PDB
PDBbind
15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
1j80
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Ribonuclease S(RNase S)
Ligand Name
15-mer
EC.Number
E.C.3.1.27.5
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=0.3uM
Release Year
2001
Protein/NA Sequence
Check fasta file
Primary Reference
(2001) J.Biol.Chem. Vol. 276: pp. 28789-28798
Ligand Properties
Formula
C
7
3
H
1
2
2
N
2
4
O
2
4
S
Molecular Weight
1751.960
Exact Mass
1750.880
No. of atoms
244
No. of bonds
245
Polar Surface Area
848.85
LOGP Value
-9.72 (
Computed with XLOGP3
)
-6.03 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 22
No. of Hydrogen Bond Acceptors: 25
No. of Rotatable Bonds: 74
No. of Nitrogen and Oxygen Atoms: 48
No. of Rings: 2
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CO)CC(=O)O)CCSC)Cc1nc[nH]c1)CCC(=O)N)CCC[NH+]=C(N)N)CCC(=O)O)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])[NH3+])CCC(=O)O)C)C)C
InChI String
InChI=1S/C73H118N24O24S/c1-36(84-60(109)37(2)86-72(121)57(39(4)99)97-68(117)47(21-24-55(103)104)88-62(111)42(76)16-9-11-26-74)59(108)85-38(3)61(110)87-43(17-10-12-27-75)64(113)93-49(30-40-14-7-6-8-15-40)69(118)91-46(20-23-54(101)102)65(114)89-44(18-13-28-82-73(79)80)63(112)90-45(19-22-53(77)100)66(115)94-50(31-41-33-81-35-83-41)70(119)92-48(25-29-122-5)67(116)95-51(32-56(105)106)71(120)96-52(34-98)58(78)107/h6-8,14-15,33,35-39,42-52,57,98-99H,9-13,16-32,34,74-76H2,1-5H3,(H2,77,100)(H2,78,107)(H,81,83)(H,84,109)(H,85,108)(H,86,121)(H,87,110)(H,88,111)(H,89,114)(H,90,112)(H,91,118)(H,92,119)(H,93,113)(H,94,115)(H,95,116)(H,96,120)(H,97,117)(H,101,102)(H,103,104)(H,105,106)(H4,79,80,82)/p+4/t36-,37-,38-,39+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,57-/m0/s1
Links to External Databases
RCSB PDB
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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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