Browse entries in the PDBbind-CN Database
HEADER 1J81_COMPLEX COMPND 1J81_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 141 241 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 -29.293 -7.135 -2.461 1.00 26.16 N ATOM 2 CA ASN B 24 -28.645 -8.341 -1.870 1.00 27.36 C ATOM 3 C ASN B 24 -28.026 -8.057 -0.506 1.00 27.48 C ATOM 4 O ASN B 24 -27.953 -6.909 -0.068 1.00 27.21 O ATOM 5 CB ASN B 24 -27.587 -8.939 -2.832 1.00 33.28 C ATOM 6 CG ASN B 24 -26.357 -8.033 -3.047 1.00 33.56 C ATOM 7 OD1 ASN B 24 -25.739 -7.544 -2.102 1.00 36.04 O ATOM 8 ND2 ASN B 24 -26.002 -7.825 -4.309 1.00 36.97 N ATOM 9 HA ASN B 24 -29.435 -9.077 -1.722 1.00 0.00 H ATOM 10 HB2 ASN B 24 -27.246 -9.889 -2.421 1.00 0.00 H ATOM 11 HB3 ASN B 24 -28.060 -9.112 -3.799 1.00 0.00 H ATOM 12 HD22 ASN B 24 -26.550 -8.256 -5.081 1.00 0.00 H ATOM 13 HD21 ASN B 24 -25.176 -7.231 -4.526 1.00 0.00 H ATOM 14 HN3 ASN B 24 -28.583 -6.384 -2.579 1.00 0.00 H ATOM 15 HN2 ASN B 24 -30.048 -6.803 -1.827 1.00 0.00 H ATOM 16 HN1 ASN B 24 -29.698 -7.379 -3.387 1.00 0.00 H ATOM 17 N TYR B 25 -27.601 -9.122 0.162 1.00 24.40 N ATOM 18 CA TYR B 25 -27.001 -9.035 1.485 1.00 23.89 C ATOM 19 C TYR B 25 -25.857 -8.023 1.600 1.00 22.08 C ATOM 20 O TYR B 25 -25.778 -7.261 2.572 1.00 22.81 O ATOM 21 CB TYR B 25 -26.514 -10.431 1.901 1.00 25.55 C ATOM 22 CG TYR B 25 -25.630 -10.444 3.124 1.00 20.32 C ATOM 23 CD1 TYR B 25 -26.177 -10.537 4.401 1.00 21.15 C ATOM 24 CD2 TYR B 25 -24.247 -10.341 3.003 1.00 16.43 C ATOM 25 CE1 TYR B 25 -25.366 -10.528 5.530 1.00 23.67 C ATOM 26 CE2 TYR B 25 -23.432 -10.331 4.116 1.00 19.72 C ATOM 27 CZ TYR B 25 -23.998 -10.425 5.378 1.00 23.86 C ATOM 28 OH TYR B 25 -23.202 -10.425 6.493 1.00 24.63 O ATOM 29 HA TYR B 25 -27.778 -8.668 2.156 1.00 0.00 H ATOM 30 HB3 TYR B 25 -25.953 -10.858 1.070 1.00 0.00 H ATOM 31 HB2 TYR B 25 -27.387 -11.050 2.105 1.00 0.00 H ATOM 32 HD2 TYR B 25 -23.800 -10.267 2.012 1.00 0.00 H ATOM 33 HE2 TYR B 25 -22.351 -10.250 4.004 1.00 0.00 H ATOM 34 HE1 TYR B 25 -25.806 -10.601 6.525 1.00 0.00 H ATOM 35 HD1 TYR B 25 -27.258 -10.618 4.517 1.00 0.00 H ATOM 36 HH TYR B 25 -23.769 -10.498 7.302 1.00 0.00 H ATOM 37 H TYR B 25 -27.701 -10.059 -0.279 1.00 0.00 H ATOM 38 N CYS B 26 -24.970 -8.021 0.612 1.00 22.21 N ATOM 39 CA CYS B 26 -23.823 -7.114 0.616 1.00 26.54 C ATOM 40 C CYS B 26 -24.208 -5.641 0.534 1.00 26.08 C ATOM 41 O CYS B 26 -23.738 -4.827 1.324 1.00 24.95 O ATOM 42 CB CYS B 26 -22.875 -7.472 -0.527 1.00 20.65 C ATOM 43 SG CYS B 26 -21.830 -8.911 -0.129 1.00 19.43 S ATOM 44 HA CYS B 26 -23.326 -7.247 1.577 1.00 0.00 H ATOM 45 HB2 CYS B 26 -22.232 -6.616 -0.731 1.00 0.00 H ATOM 46 HB3 CYS B 26 -23.465 -7.701 -1.414 1.00 0.00 H ATOM 47 H CYS B 26 -25.094 -8.680 -0.183 1.00 0.00 H ATOM 48 N ASN B 27 -25.048 -5.296 -0.431 1.00 26.94 N ATOM 49 CA ASN B 27 -25.487 -3.915 -0.581 1.00 28.08 C ATOM 50 C ASN B 27 -26.177 -3.448 0.699 1.00 27.00 C ATOM 51 O ASN B 27 -26.024 -2.297 1.116 1.00 24.32 O ATOM 52 CB ASN B 27 -26.445 -3.803 -1.767 1.00 30.51 C ATOM 53 CG ASN B 27 -25.718 -3.815 -3.100 1.00 35.46 C ATOM 54 OD1 ASN B 27 -25.821 -4.768 -3.876 1.00 42.96 O ATOM 55 ND2 ASN B 27 -24.975 -2.748 -3.372 1.00 45.13 N ATOM 56 HA ASN B 27 -24.620 -3.280 -0.765 1.00 0.00 H ATOM 57 HB2 ASN B 27 -27.138 -4.644 -1.738 1.00 0.00 H ATOM 58 HB3 ASN B 27 -27.003 -2.871 -1.680 1.00 0.00 H ATOM 59 HD22 ASN B 27 -24.917 -1.967 -2.688 1.00 0.00 H ATOM 60 HD21 ASN B 27 -24.451 -2.694 -4.269 1.00 0.00 H ATOM 61 H ASN B 27 -25.398 -6.020 -1.090 1.00 0.00 H ATOM 62 N GLN B 28 -26.933 -4.358 1.315 1.00 25.21 N ATOM 63 CA GLN B 28 -27.652 -4.076 2.553 1.00 22.31 C ATOM 64 C GLN B 28 -26.739 -3.936 3.775 1.00 22.89 C ATOM 65 O GLN B 28 -26.812 -2.938 4.488 1.00 24.67 O ATOM 66 CB GLN B 28 -28.684 -5.172 2.814 1.00 26.93 C ATOM 67 CG GLN B 28 -30.106 -4.664 2.906 1.00 33.58 C ATOM 68 CD GLN B 28 -30.744 -4.457 1.547 1.00 40.84 C ATOM 69 OE1 GLN B 28 -30.060 -4.186 0.557 1.00 44.30 O ATOM 70 NE2 GLN B 28 -32.066 -4.581 1.488 1.00 45.37 N ATOM 71 HA GLN B 28 -28.139 -3.111 2.411 1.00 0.00 H ATOM 72 HB2 GLN B 28 -28.630 -5.896 2.001 1.00 0.00 H ATOM 73 HB3 GLN B 28 -28.433 -5.664 3.754 1.00 0.00 H ATOM 74 HG2 GLN B 28 -30.700 -5.389 3.463 1.00 0.00 H ATOM 75 HG3 GLN B 28 -30.103 -3.713 3.438 1.00 0.00 H ATOM 76 HE22 GLN B 28 -32.606 -4.811 2.347 1.00 0.00 H ATOM 77 HE21 GLN B 28 -32.561 -4.448 0.583 1.00 0.00 H ATOM 78 H GLN B 28 -27.013 -5.307 0.896 1.00 0.00 H ATOM 79 N MET B 29 -25.881 -4.925 4.020 1.00 20.25 N ATOM 80 CA MET B 29 -24.984 -4.878 5.180 1.00 17.46 C ATOM 81 C MET B 29 -23.914 -3.784 5.101 1.00 19.50 C ATOM 82 O MET B 29 -23.549 -3.172 6.109 1.00 18.98 O ATOM 83 CB MET B 29 -24.311 -6.234 5.389 1.00 10.62 C ATOM 84 CG MET B 29 -25.093 -7.179 6.286 1.00 14.56 C ATOM 85 SD MET B 29 -25.628 -6.449 7.828 1.00 7.74 S ATOM 86 CE MET B 29 -24.278 -6.858 8.884 1.00 6.10 C ATOM 87 HA MET B 29 -25.620 -4.630 6.030 1.00 0.00 H ATOM 88 HB2 MET B 29 -24.186 -6.709 4.416 1.00 0.00 H ATOM 89 HB3 MET B 29 -23.332 -6.066 5.838 1.00 0.00 H ATOM 90 HG2 MET B 29 -24.460 -8.036 6.515 1.00 0.00 H ATOM 91 HG3 MET B 29 -25.976 -7.515 5.742 1.00 0.00 H ATOM 92 HE1 MET B 29 -24.170 -7.942 8.931 1.00 0.00 H ATOM 93 HE2 MET B 29 -23.363 -6.417 8.489 1.00 0.00 H ATOM 94 HE3 MET B 29 -24.469 -6.467 9.884 1.00 0.00 H ATOM 95 H MET B 29 -25.846 -5.743 3.379 1.00 0.00 H ATOM 96 N MET B 30 -23.398 -3.545 3.904 1.00 22.18 N ATOM 97 CA MET B 30 -22.389 -2.519 3.723 1.00 21.56 C ATOM 98 C MET B 30 -22.990 -1.159 4.093 1.00 25.14 C ATOM 99 O MET B 30 -22.375 -0.358 4.793 1.00 23.28 O ATOM 100 CB MET B 30 -21.910 -2.522 2.271 1.00 25.25 C ATOM 101 CG MET B 30 -21.195 -3.804 1.851 1.00 24.82 C ATOM 102 SD MET B 30 -19.507 -3.877 2.473 1.00 27.51 S ATOM 103 CE MET B 30 -18.621 -2.845 1.251 1.00 23.37 C ATOM 104 HA MET B 30 -21.533 -2.716 4.368 1.00 0.00 H ATOM 105 HB2 MET B 30 -22.777 -2.386 1.624 1.00 0.00 H ATOM 106 HB3 MET B 30 -21.223 -1.687 2.136 1.00 0.00 H ATOM 107 HG2 MET B 30 -21.171 -3.852 0.762 1.00 0.00 H ATOM 108 HG3 MET B 30 -21.749 -4.659 2.239 1.00 0.00 H ATOM 109 HE1 MET B 30 -18.734 -3.282 0.259 1.00 0.00 H ATOM 110 HE2 MET B 30 -19.039 -1.838 1.256 1.00 0.00 H ATOM 111 HE3 MET B 30 -17.564 -2.802 1.512 1.00 0.00 H ATOM 112 H MET B 30 -23.720 -4.099 3.085 1.00 0.00 H ATOM 113 N LYS B 31 -24.207 -0.905 3.636 1.00 28.61 N ATOM 114 CA LYS B 31 -24.856 0.358 3.940 1.00 30.30 C ATOM 115 C LYS B 31 -25.126 0.451 5.429 1.00 26.98 C ATOM 116 O LYS B 31 -24.734 1.415 6.069 1.00 30.18 O ATOM 117 CB LYS B 31 -26.172 0.473 3.169 1.00 38.51 C ATOM 118 CG LYS B 31 -26.899 1.792 3.379 1.00 48.71 C ATOM 119 CD LYS B 31 -26.277 2.920 2.562 1.00 54.46 C ATOM 120 CE LYS B 31 -27.028 4.239 2.777 1.00 60.55 C ATOM 121 NZ LYS B 31 -26.655 5.298 1.788 1.00 62.76 N ATOM 122 HA LYS B 31 -24.198 1.174 3.641 1.00 0.00 H ATOM 123 HB2 LYS B 31 -25.957 0.365 2.106 1.00 0.00 H ATOM 124 HB3 LYS B 31 -26.829 -0.336 3.489 1.00 0.00 H ATOM 125 HG2 LYS B 31 -27.940 1.672 3.080 1.00 0.00 H ATOM 126 HG3 LYS B 31 -26.854 2.055 4.436 1.00 0.00 H ATOM 127 HD2 LYS B 31 -25.238 3.048 2.866 1.00 0.00 H ATOM 128 HD3 LYS B 31 -26.315 2.657 1.505 1.00 0.00 H ATOM 129 HE2 LYS B 31 -26.804 4.606 3.779 1.00 0.00 H ATOM 130 HE3 LYS B 31 -28.098 4.047 2.692 1.00 0.00 H ATOM 131 HZ1 LYS B 31 -25.638 5.499 1.865 1.00 0.00 H ATOM 132 HZ2 LYS B 31 -26.872 4.965 0.827 1.00 0.00 H ATOM 133 HZ3 LYS B 31 -27.197 6.163 1.987 1.00 0.00 H ATOM 134 H LYS B 31 -24.700 -1.614 3.056 1.00 0.00 H ATOM 135 N SER B 32 -25.790 -0.565 5.971 1.00 24.38 N ATOM 136 CA SER B 32 -26.131 -0.625 7.393 1.00 27.21 C ATOM 137 C SER B 32 -24.953 -0.431 8.349 1.00 27.71 C ATOM 138 O SER B 32 -25.082 0.233 9.383 1.00 29.46 O ATOM 139 CB SER B 32 -26.795 -1.964 7.717 1.00 27.16 C ATOM 140 OG SER B 32 -28.169 -1.945 7.385 1.00 40.33 O ATOM 141 HA SER B 32 -26.807 0.215 7.553 1.00 0.00 H ATOM 142 HB2 SER B 32 -26.689 -2.165 8.783 1.00 0.00 H ATOM 143 HB3 SER B 32 -26.302 -2.753 7.149 1.00 0.00 H ATOM 144 HG SER B 32 -28.573 -2.822 7.605 1.00 0.00 H ATOM 145 H SER B 32 -26.080 -1.353 5.357 1.00 0.00 H ATOM 146 N ARG B 33 -23.808 -1.016 8.016 1.00 27.12 N ATOM 147 CA ARG B 33 -22.643 -0.907 8.879 1.00 23.05 C ATOM 148 C ARG B 33 -21.866 0.371 8.634 1.00 24.66 C ATOM 149 O ARG B 33 -20.725 0.500 9.059 1.00 26.32 O ATOM 150 CB ARG B 33 -21.747 -2.133 8.700 1.00 23.50 C ATOM 151 CG ARG B 33 -22.382 -3.431 9.208 1.00 18.82 C ATOM 152 CD ARG B 33 -22.926 -3.285 10.628 1.00 19.50 C ATOM 153 NE ARG B 33 -23.474 -4.541 11.122 1.00 22.38 N ATOM 154 CZ ARG B 33 -22.740 -5.544 11.598 1.00 24.54 C ATOM 155 NH1 ARG B 33 -23.324 -6.655 12.025 1.00 24.78 N ATOM 156 NH2 ARG B 33 -21.422 -5.438 11.662 1.00 20.57 N ATOM 157 HA ARG B 33 -22.994 -0.867 9.910 1.00 0.00 H ATOM 158 HB2 ARG B 33 -21.527 -2.248 7.639 1.00 0.00 H ATOM 159 HB3 ARG B 33 -20.819 -1.965 9.246 1.00 0.00 H ATOM 160 HG2 ARG B 33 -23.201 -3.706 8.544 1.00 0.00 H ATOM 161 HG3 ARG B 33 -21.629 -4.219 9.199 1.00 0.00 H ATOM 162 HD2 ARG B 33 -23.712 -2.530 10.630 1.00 0.00 H ATOM 163 HD3 ARG B 33 -22.117 -2.968 11.286 1.00 0.00 H ATOM 164 HE ARG B 33 -24.507 -4.662 11.101 1.00 0.00 H ATOM 165 HH12 ARG B 33 -22.747 -7.436 12.396 1.00 0.00 H ATOM 166 HH11 ARG B 33 -24.359 -6.745 11.989 1.00 0.00 H ATOM 167 HH22 ARG B 33 -20.854 -6.226 12.035 1.00 0.00 H ATOM 168 HH21 ARG B 33 -20.954 -4.567 11.339 1.00 0.00 H ATOM 169 H ARG B 33 -23.744 -1.557 7.130 1.00 0.00 H ATOM 170 N ASN B 34 -22.501 1.318 7.952 1.00 27.25 N ATOM 171 CA ASN B 34 -21.873 2.599 7.679 1.00 30.53 C ATOM 172 C ASN B 34 -20.601 2.421 6.864 1.00 30.68 C ATOM 173 O ASN B 34 -19.580 3.060 7.125 1.00 32.31 O ATOM 174 CB ASN B 34 -21.551 3.306 9.002 1.00 34.51 C ATOM 175 CG ASN B 34 -20.876 4.650 8.797 1.00 38.08 C ATOM 176 OD1 ASN B 34 -20.198 5.163 9.692 1.00 36.85 O ATOM 177 ND2 ASN B 34 -21.052 5.223 7.611 1.00 36.74 N ATOM 178 HA ASN B 34 -22.566 3.207 7.098 1.00 0.00 H ATOM 179 HB2 ASN B 34 -22.480 3.462 9.550 1.00 0.00 H ATOM 180 HB3 ASN B 34 -20.888 2.668 9.587 1.00 0.00 H ATOM 181 HD22 ASN B 34 -21.632 4.753 6.887 1.00 0.00 H ATOM 182 HD21 ASN B 34 -20.610 6.142 7.407 1.00 0.00 H ATOM 183 H ASN B 34 -23.466 1.139 7.607 1.00 0.00 H ATOM 184 N LEU B 35 -20.659 1.553 5.865 1.00 28.99 N ATOM 185 CA LEU B 35 -19.495 1.307 5.028 1.00 29.25 C ATOM 186 C LEU B 35 -19.650 1.970 3.664 1.00 31.87 C ATOM 187 O LEU B 35 -18.660 2.366 3.038 1.00 34.96 O ATOM 188 CB LEU B 35 -19.278 -0.202 4.863 1.00 23.37 C ATOM 189 CG LEU B 35 -18.868 -0.948 6.136 1.00 17.66 C ATOM 190 CD1 LEU B 35 -19.317 -2.392 6.086 1.00 10.36 C ATOM 191 CD2 LEU B 35 -17.369 -0.871 6.291 1.00 19.81 C ATOM 192 HA LEU B 35 -18.624 1.743 5.517 1.00 0.00 H ATOM 193 HB2 LEU B 35 -20.209 -0.639 4.502 1.00 0.00 H ATOM 194 HB3 LEU B 35 -18.496 -0.350 4.119 1.00 0.00 H ATOM 195 HG LEU B 35 -19.351 -0.479 6.993 1.00 0.00 H ATOM 196 HD21 LEU B 35 -16.891 -1.331 5.426 1.00 0.00 H ATOM 197 HD22 LEU B 35 -17.066 0.173 6.363 1.00 0.00 H ATOM 198 HD23 LEU B 35 -17.071 -1.401 7.196 1.00 0.00 H ATOM 199 HD11 LEU B 35 -20.402 -2.431 5.991 1.00 0.00 H ATOM 200 HD12 LEU B 35 -18.858 -2.884 5.228 1.00 0.00 H ATOM 201 HD13 LEU B 35 -19.013 -2.898 7.002 1.00 0.00 H ATOM 202 H LEU B 35 -21.545 1.042 5.677 1.00 0.00 H ATOM 203 N THR B 36 -20.893 2.085 3.202 1.00 30.96 N ATOM 204 CA THR B 36 -21.143 2.695 1.907 1.00 29.65 C ATOM 205 C THR B 36 -22.122 3.860 1.962 1.00 28.20 C ATOM 206 O THR B 36 -22.814 4.145 0.986 1.00 23.88 O ATOM 207 CB THR B 36 -21.656 1.651 0.900 1.00 31.33 C ATOM 208 OG1 THR B 36 -22.819 0.998 1.428 1.00 31.85 O ATOM 209 CG2 THR B 36 -20.565 0.620 0.616 1.00 28.95 C ATOM 210 HA THR B 36 -20.182 3.093 1.581 1.00 0.00 H ATOM 211 HB THR B 36 -21.919 2.153 -0.031 1.00 0.00 H ATOM 212 HG1 THR B 36 -23.144 0.328 0.776 1.00 0.00 H ATOM 213 HG23 THR B 36 -19.686 1.124 0.215 1.00 0.00 H ATOM 214 HG21 THR B 36 -20.302 0.107 1.541 1.00 0.00 H ATOM 215 HG22 THR B 36 -20.932 -0.105 -0.111 1.00 0.00 H ATOM 216 H THR B 36 -21.690 1.736 3.771 1.00 0.00 H ATOM 217 N LYS B 37 -22.171 4.538 3.104 1.00 28.71 N ATOM 218 CA LYS B 37 -23.069 5.675 3.257 1.00 28.98 C ATOM 219 C LYS B 37 -22.451 6.942 2.677 1.00 30.90 C ATOM 220 O LYS B 37 -23.170 7.797 2.149 1.00 35.91 O ATOM 221 CB LYS B 37 -23.413 5.884 4.733 1.00 32.32 C ATOM 222 CG LYS B 37 -24.414 4.870 5.275 1.00 34.87 C ATOM 223 CD LYS B 37 -25.012 5.295 6.623 1.00 30.59 C ATOM 224 CE LYS B 37 -26.422 4.733 6.780 1.00 29.20 C ATOM 225 NZ LYS B 37 -26.860 4.592 8.195 1.00 27.27 N ATOM 226 HA LYS B 37 -23.985 5.460 2.706 1.00 0.00 H ATOM 227 HB2 LYS B 37 -22.495 5.808 5.315 1.00 0.00 H ATOM 228 HB3 LYS B 37 -23.835 6.882 4.851 1.00 0.00 H ATOM 229 HG2 LYS B 37 -25.223 4.758 4.553 1.00 0.00 H ATOM 230 HG3 LYS B 37 -23.908 3.913 5.403 1.00 0.00 H ATOM 231 HD2 LYS B 37 -24.383 4.919 7.430 1.00 0.00 H ATOM 232 HD3 LYS B 37 -25.051 6.383 6.672 1.00 0.00 H ATOM 233 HE2 LYS B 37 -26.454 3.750 6.311 1.00 0.00 H ATOM 234 HE3 LYS B 37 -27.117 5.400 6.270 1.00 0.00 H ATOM 235 HZ1 LYS B 37 -26.214 3.948 8.694 1.00 0.00 H ATOM 236 HZ2 LYS B 37 -26.846 5.524 8.655 1.00 0.00 H ATOM 237 HZ3 LYS B 37 -27.825 4.205 8.221 1.00 0.00 H ATOM 238 H LYS B 37 -21.562 4.254 3.897 1.00 0.00 H ATOM 239 N ASP B 38 -21.124 7.058 2.762 1.00 30.85 N ATOM 240 CA ASP B 38 -20.422 8.227 2.243 1.00 27.76 C ATOM 241 C ASP B 38 -19.359 7.891 1.210 1.00 25.43 C ATOM 242 O ASP B 38 -18.541 8.735 0.865 1.00 25.31 O ATOM 243 CB ASP B 38 -19.783 9.017 3.392 1.00 32.48 C ATOM 244 CG ASP B 38 -18.847 8.175 4.246 1.00 38.40 C ATOM 245 OD1 ASP B 38 -18.533 7.027 3.860 1.00 39.36 O ATOM 246 OD2 ASP B 38 -18.432 8.671 5.318 1.00 40.63 O ATOM 247 HA ASP B 38 -21.177 8.830 1.738 1.00 0.00 H ATOM 248 HB2 ASP B 38 -19.216 9.847 2.970 1.00 0.00 H ATOM 249 HB3 ASP B 38 -20.577 9.408 4.029 1.00 0.00 H ATOM 250 H ASP B 38 -20.576 6.296 3.210 1.00 0.00 H ATOM 251 N ARG B 39 -19.378 6.661 0.716 1.00 24.11 N ATOM 252 CA ARG B 39 -18.411 6.216 -0.276 1.00 23.26 C ATOM 253 C ARG B 39 -18.687 4.766 -0.602 1.00 23.10 C ATOM 254 O ARG B 39 -19.452 4.109 0.097 1.00 20.47 O ATOM 255 CB ARG B 39 -16.984 6.326 0.273 1.00 32.12 C ATOM 256 CG ARG B 39 -16.602 5.212 1.262 1.00 38.34 C ATOM 257 CD ARG B 39 -15.160 5.333 1.726 1.00 48.30 C ATOM 258 NE ARG B 39 -14.433 4.069 1.600 1.00 60.66 N ATOM 259 CZ ARG B 39 -13.648 3.750 0.570 1.00 64.38 C ATOM 260 NH1 ARG B 39 -13.030 2.576 0.545 1.00 66.46 N ATOM 261 NH2 ARG B 39 -13.474 4.600 -0.435 1.00 66.37 N ATOM 262 HA ARG B 39 -18.501 6.842 -1.164 1.00 0.00 H ATOM 263 HB2 ARG B 39 -16.290 6.290 -0.567 1.00 0.00 H ATOM 264 HB3 ARG B 39 -16.886 7.284 0.783 1.00 0.00 H ATOM 265 HG2 ARG B 39 -17.258 5.272 2.131 1.00 0.00 H ATOM 266 HG3 ARG B 39 -16.735 4.247 0.774 1.00 0.00 H ATOM 267 HD2 ARG B 39 -15.152 5.641 2.772 1.00 0.00 H ATOM 268 HD3 ARG B 39 -14.658 6.089 1.122 1.00 0.00 H ATOM 269 HE ARG B 39 -14.535 3.372 2.365 1.00 0.00 H ATOM 270 HH12 ARG B 39 -12.418 2.328 -0.258 1.00 0.00 H ATOM 271 HH11 ARG B 39 -13.158 1.904 1.329 1.00 0.00 H ATOM 272 HH22 ARG B 39 -12.860 4.342 -1.234 1.00 0.00 H ATOM 273 HH21 ARG B 39 -13.952 5.524 -0.423 1.00 0.00 H ATOM 274 H ARG B 39 -20.105 5.995 1.047 1.00 0.00 H ATOM 275 N CYS B 40 -18.076 4.274 -1.674 1.00 19.35 N ATOM 276 CA CYS B 40 -18.234 2.880 -2.045 1.00 19.68 C ATOM 277 C CYS B 40 -16.904 2.226 -1.707 1.00 21.88 C ATOM 278 O CYS B 40 -15.868 2.624 -2.234 1.00 24.41 O ATOM 279 CB CYS B 40 -18.514 2.728 -3.541 1.00 19.08 C ATOM 280 SG CYS B 40 -20.085 3.410 -4.186 1.00 22.86 S ATOM 281 HA CYS B 40 -19.075 2.427 -1.520 1.00 0.00 H ATOM 282 HB2 CYS B 40 -18.504 1.662 -3.768 1.00 0.00 H ATOM 283 HB3 CYS B 40 -17.701 3.219 -4.076 1.00 0.00 H ATOM 284 H CYS B 40 -17.477 4.895 -2.254 1.00 0.00 H ATOM 285 N LYS B 41 -16.928 1.256 -0.794 1.00 26.06 N ATOM 286 CA LYS B 41 -15.722 0.532 -0.399 1.00 22.81 C ATOM 287 C LYS B 41 -15.611 -0.638 -1.366 1.00 23.54 C ATOM 288 O LYS B 41 -16.553 -1.411 -1.502 1.00 24.60 O ATOM 289 CB LYS B 41 -15.853 0.009 1.033 1.00 22.61 C ATOM 290 CG LYS B 41 -14.515 -0.266 1.700 1.00 31.30 C ATOM 291 CD LYS B 41 -14.637 -1.093 2.969 1.00 37.72 C ATOM 292 CE LYS B 41 -13.250 -1.313 3.603 1.00 41.33 C ATOM 293 NZ LYS B 41 -13.156 -2.592 4.383 1.00 45.13 N ATOM 294 HA LYS B 41 -14.844 1.177 -0.431 1.00 0.00 H ATOM 295 HB2 LYS B 41 -16.388 0.752 1.625 1.00 0.00 H ATOM 296 HB3 LYS B 41 -16.426 -0.918 1.012 1.00 0.00 H ATOM 297 HG2 LYS B 41 -13.880 -0.804 0.995 1.00 0.00 H ATOM 298 HG3 LYS B 41 -14.050 0.688 1.951 1.00 0.00 H ATOM 299 HD2 LYS B 41 -15.278 -0.570 3.679 1.00 0.00 H ATOM 300 HD3 LYS B 41 -15.079 -2.060 2.727 1.00 0.00 H ATOM 301 HE2 LYS B 41 -13.039 -0.481 4.274 1.00 0.00 H ATOM 302 HE3 LYS B 41 -12.504 -1.335 2.808 1.00 0.00 H ATOM 303 HZ1 LYS B 41 -13.856 -2.580 5.152 1.00 0.00 H ATOM 304 HZ2 LYS B 41 -13.346 -3.396 3.752 1.00 0.00 H ATOM 305 HZ3 LYS B 41 -12.201 -2.683 4.784 1.00 0.00 H ATOM 306 H LYS B 41 -17.834 1.006 -0.348 1.00 0.00 H ATOM 307 N PRO B 42 -14.460 -0.788 -2.045 1.00 21.95 N ATOM 308 CA PRO B 42 -14.263 -1.880 -3.008 1.00 22.52 C ATOM 309 C PRO B 42 -14.581 -3.280 -2.495 1.00 20.86 C ATOM 310 O PRO B 42 -15.369 -4.005 -3.094 1.00 23.35 O ATOM 311 CB PRO B 42 -12.793 -1.743 -3.423 1.00 22.40 C ATOM 312 CG PRO B 42 -12.462 -0.314 -3.166 1.00 28.21 C ATOM 313 CD PRO B 42 -13.261 0.061 -1.934 1.00 23.25 C ATOM 314 HA PRO B 42 -14.968 -1.782 -3.834 1.00 0.00 H ATOM 315 HD3 PRO B 42 -12.705 -0.163 -1.023 1.00 0.00 H ATOM 316 HD2 PRO B 42 -13.527 1.118 -1.946 1.00 0.00 H ATOM 317 HG3 PRO B 42 -12.753 0.305 -4.014 1.00 0.00 H ATOM 318 HG2 PRO B 42 -11.394 -0.195 -2.981 1.00 0.00 H ATOM 319 HB2 PRO B 42 -12.161 -2.399 -2.824 1.00 0.00 H ATOM 320 HB3 PRO B 42 -12.667 -1.984 -4.479 1.00 0.00 H ATOM 321 N VAL B 43 -13.973 -3.662 -1.386 1.00 19.17 N ATOM 322 CA VAL B 43 -14.209 -4.987 -0.856 1.00 20.42 C ATOM 323 C VAL B 43 -14.417 -4.988 0.644 1.00 19.20 C ATOM 324 O VAL B 43 -13.973 -4.089 1.347 1.00 20.21 O ATOM 325 CB VAL B 43 -13.024 -5.937 -1.175 1.00 14.05 C ATOM 326 CG1 VAL B 43 -13.098 -6.406 -2.604 1.00 15.04 C ATOM 327 CG2 VAL B 43 -11.713 -5.223 -0.945 1.00 17.09 C ATOM 328 HA VAL B 43 -15.121 -5.337 -1.340 1.00 0.00 H ATOM 329 HB VAL B 43 -13.086 -6.802 -0.514 1.00 0.00 H ATOM 330 HG11 VAL B 43 -14.035 -6.940 -2.762 1.00 0.00 H ATOM 331 HG12 VAL B 43 -13.053 -5.545 -3.271 1.00 0.00 H ATOM 332 HG13 VAL B 43 -12.260 -7.071 -2.811 1.00 0.00 H ATOM 333 HG21 VAL B 43 -11.658 -4.349 -1.594 1.00 0.00 H ATOM 334 HG22 VAL B 43 -11.650 -4.908 0.097 1.00 0.00 H ATOM 335 HG23 VAL B 43 -10.888 -5.899 -1.172 1.00 0.00 H ATOM 336 H VAL B 43 -13.326 -3.012 -0.895 1.00 0.00 H ATOM 337 N ASN B 44 -15.125 -6.006 1.116 1.00 21.59 N ATOM 338 CA ASN B 44 -15.351 -6.205 2.540 1.00 22.53 C ATOM 339 C ASN B 44 -15.843 -7.621 2.820 1.00 20.31 C ATOM 340 O ASN B 44 -16.684 -8.160 2.103 1.00 21.99 O ATOM 341 CB ASN B 44 -16.344 -5.197 3.116 1.00 21.19 C ATOM 342 CG ASN B 44 -16.276 -5.135 4.631 1.00 18.80 C ATOM 343 OD1 ASN B 44 -15.307 -4.626 5.199 1.00 23.94 O ATOM 344 ND2 ASN B 44 -17.298 -5.665 5.292 1.00 17.08 N ATOM 345 HA ASN B 44 -14.390 -6.050 3.031 1.00 0.00 H ATOM 346 HB2 ASN B 44 -16.118 -4.210 2.712 1.00 0.00 H ATOM 347 HB3 ASN B 44 -17.352 -5.487 2.820 1.00 0.00 H ATOM 348 HD22 ASN B 44 -18.094 -6.083 4.770 1.00 0.00 H ATOM 349 HD21 ASN B 44 -17.303 -5.662 6.332 1.00 0.00 H ATOM 350 H ASN B 44 -15.533 -6.687 0.444 1.00 0.00 H ATOM 351 N THR B 45 -15.304 -8.217 3.875 1.00 16.81 N ATOM 352 CA THR B 45 -15.674 -9.565 4.255 1.00 16.64 C ATOM 353 C THR B 45 -16.398 -9.578 5.588 1.00 18.30 C ATOM 354 O THR B 45 -15.972 -8.921 6.534 1.00 15.22 O ATOM 355 CB THR B 45 -14.428 -10.452 4.366 1.00 20.26 C ATOM 356 OG1 THR B 45 -13.694 -10.382 3.138 1.00 24.18 O ATOM 357 CG2 THR B 45 -14.821 -11.903 4.641 1.00 19.54 C ATOM 358 HA THR B 45 -16.338 -9.951 3.481 1.00 0.00 H ATOM 359 HB THR B 45 -13.813 -10.097 5.193 1.00 0.00 H ATOM 360 HG1 THR B 45 -12.888 -10.953 3.204 1.00 0.00 H ATOM 361 HG23 THR B 45 -15.380 -11.956 5.576 1.00 0.00 H ATOM 362 HG21 THR B 45 -15.442 -12.271 3.824 1.00 0.00 H ATOM 363 HG22 THR B 45 -13.921 -12.513 4.719 1.00 0.00 H ATOM 364 H THR B 45 -14.599 -7.705 4.443 1.00 0.00 H ATOM 365 N PHE B 46 -17.484 -10.343 5.653 1.00 17.74 N ATOM 366 CA PHE B 46 -18.272 -10.467 6.870 1.00 16.64 C ATOM 367 C PHE B 46 -18.108 -11.887 7.383 1.00 15.75 C ATOM 368 O PHE B 46 -18.212 -12.837 6.610 1.00 16.27 O ATOM 369 CB PHE B 46 -19.748 -10.198 6.578 1.00 18.03 C ATOM 370 CG PHE B 46 -20.049 -8.764 6.261 1.00 15.43 C ATOM 371 CD1 PHE B 46 -20.166 -7.830 7.287 1.00 14.64 C ATOM 372 CD2 PHE B 46 -20.235 -8.345 4.946 1.00 15.23 C ATOM 373 CE1 PHE B 46 -20.468 -6.504 7.013 1.00 14.27 C ATOM 374 CE2 PHE B 46 -20.539 -7.015 4.660 1.00 13.84 C ATOM 375 CZ PHE B 46 -20.656 -6.093 5.696 1.00 14.26 C ATOM 376 HA PHE B 46 -17.932 -9.743 7.611 1.00 0.00 H ATOM 377 HB2 PHE B 46 -20.047 -10.809 5.726 1.00 0.00 H ATOM 378 HB3 PHE B 46 -20.330 -10.487 7.453 1.00 0.00 H ATOM 379 HD2 PHE B 46 -20.142 -9.064 4.132 1.00 0.00 H ATOM 380 HE2 PHE B 46 -20.685 -6.698 3.627 1.00 0.00 H ATOM 381 HZ PHE B 46 -20.894 -5.052 5.477 1.00 0.00 H ATOM 382 HE1 PHE B 46 -20.558 -5.785 7.827 1.00 0.00 H ATOM 383 HD1 PHE B 46 -20.018 -8.145 8.320 1.00 0.00 H ATOM 384 H PHE B 46 -17.780 -10.870 4.806 1.00 0.00 H ATOM 385 N VAL B 47 -17.843 -12.033 8.678 1.00 14.82 N ATOM 386 CA VAL B 47 -17.654 -13.346 9.293 1.00 13.79 C ATOM 387 C VAL B 47 -18.931 -13.765 10.032 1.00 15.27 C ATOM 388 O VAL B 47 -19.467 -12.998 10.835 1.00 12.96 O ATOM 389 CB VAL B 47 -16.458 -13.311 10.292 1.00 18.04 C ATOM 390 CG1 VAL B 47 -16.028 -14.726 10.653 1.00 20.42 C ATOM 391 CG2 VAL B 47 -15.296 -12.549 9.683 1.00 14.55 C ATOM 392 HA VAL B 47 -17.436 -14.070 8.508 1.00 0.00 H ATOM 393 HB VAL B 47 -16.776 -12.803 11.202 1.00 0.00 H ATOM 394 HG11 VAL B 47 -16.863 -15.251 11.116 1.00 0.00 H ATOM 395 HG12 VAL B 47 -15.722 -15.253 9.749 1.00 0.00 H ATOM 396 HG13 VAL B 47 -15.192 -14.683 11.351 1.00 0.00 H ATOM 397 HG21 VAL B 47 -14.982 -13.042 8.763 1.00 0.00 H ATOM 398 HG22 VAL B 47 -15.609 -11.529 9.461 1.00 0.00 H ATOM 399 HG23 VAL B 47 -14.466 -12.530 10.389 1.00 0.00 H ATOM 400 H VAL B 47 -17.768 -11.184 9.274 1.00 0.00 H ATOM 401 N HIS B 48 -19.409 -14.982 9.769 1.00 16.03 N ATOM 402 CA HIS B 48 -20.637 -15.479 10.402 1.00 16.82 C ATOM 403 C HIS B 48 -20.403 -16.447 11.542 1.00 19.56 C ATOM 404 O HIS B 48 -21.095 -17.451 11.669 1.00 27.57 O ATOM 405 CB HIS B 48 -21.547 -16.144 9.369 1.00 11.74 C ATOM 406 CG HIS B 48 -21.852 -15.268 8.197 1.00 18.32 C ATOM 407 ND1 HIS B 48 -22.585 -14.108 8.310 1.00 17.97 N ATOM 408 CD2 HIS B 48 -21.514 -15.374 6.889 1.00 21.01 C ATOM 409 CE1 HIS B 48 -22.686 -13.533 7.124 1.00 24.62 C ATOM 410 NE2 HIS B 48 -22.043 -14.283 6.245 1.00 23.76 N ATOM 411 HA HIS B 48 -21.112 -14.595 10.827 1.00 0.00 H ATOM 412 HB2 HIS B 48 -21.057 -17.048 9.007 1.00 0.00 H ATOM 413 HB3 HIS B 48 -22.485 -16.411 9.855 1.00 0.00 H ATOM 414 HD2 HIS B 48 -20.932 -16.175 6.434 1.00 0.00 H ATOM 415 HE1 HIS B 48 -23.209 -12.601 6.908 1.00 0.00 H ATOM 416 H HIS B 48 -18.900 -15.594 9.100 1.00 0.00 H ATOM 417 N GLU B 49 -19.415 -16.138 12.369 1.00 21.60 N ATOM 418 CA GLU B 49 -19.084 -16.955 13.523 1.00 21.52 C ATOM 419 C GLU B 49 -19.248 -16.002 14.688 1.00 20.62 C ATOM 420 O GLU B 49 -19.263 -14.785 14.487 1.00 22.26 O ATOM 421 CB GLU B 49 -17.638 -17.444 13.423 1.00 20.52 C ATOM 422 CG GLU B 49 -17.361 -18.238 12.150 1.00 25.12 C ATOM 423 CD GLU B 49 -18.043 -19.599 12.147 1.00 21.75 C ATOM 424 OE1 GLU B 49 -18.168 -20.208 11.061 1.00 23.44 O ATOM 425 OE2 GLU B 49 -18.446 -20.058 13.238 1.00 21.92 O ATOM 426 HA GLU B 49 -19.706 -17.846 13.615 1.00 0.00 H ATOM 427 HB2 GLU B 49 -16.977 -16.578 13.443 1.00 0.00 H ATOM 428 HB3 GLU B 49 -17.427 -18.081 14.282 1.00 0.00 H ATOM 429 HG2 GLU B 49 -17.722 -17.665 11.296 1.00 0.00 H ATOM 430 HG3 GLU B 49 -16.285 -18.386 12.058 1.00 0.00 H ATOM 431 H GLU B 49 -18.857 -15.280 12.185 1.00 0.00 H ATOM 432 N SER B 50 -19.398 -16.534 15.896 1.00 18.18 N ATOM 433 CA SER B 50 -19.560 -15.679 17.065 1.00 17.44 C ATOM 434 C SER B 50 -18.333 -14.790 17.233 1.00 16.93 C ATOM 435 O SER B 50 -17.258 -15.120 16.743 1.00 22.36 O ATOM 436 CB SER B 50 -19.781 -16.533 18.313 1.00 17.19 C ATOM 437 OG SER B 50 -18.564 -17.068 18.791 1.00 20.70 O ATOM 438 HA SER B 50 -20.433 -15.042 16.924 1.00 0.00 H ATOM 439 HB2 SER B 50 -20.457 -17.352 18.068 1.00 0.00 H ATOM 440 HB3 SER B 50 -20.228 -15.915 19.092 1.00 0.00 H ATOM 441 HG SER B 50 -18.739 -17.615 19.598 1.00 0.00 H ATOM 442 H SER B 50 -19.400 -17.568 16.008 1.00 0.00 H ATOM 443 N LEU B 51 -18.494 -13.659 17.916 1.00 16.51 N ATOM 444 CA LEU B 51 -17.374 -12.734 18.114 1.00 19.22 C ATOM 445 C LEU B 51 -16.254 -13.325 18.961 1.00 15.88 C ATOM 446 O LEU B 51 -15.084 -13.026 18.739 1.00 20.41 O ATOM 447 CB LEU B 51 -17.867 -11.425 18.753 1.00 23.08 C ATOM 448 CG LEU B 51 -16.823 -10.392 19.207 1.00 27.50 C ATOM 449 CD1 LEU B 51 -16.157 -9.725 18.007 1.00 23.52 C ATOM 450 CD2 LEU B 51 -17.496 -9.360 20.097 1.00 22.74 C ATOM 451 HA LEU B 51 -16.961 -12.536 17.125 1.00 0.00 H ATOM 452 HB2 LEU B 51 -18.511 -10.933 18.024 1.00 0.00 H ATOM 453 HB3 LEU B 51 -18.455 -11.696 19.630 1.00 0.00 H ATOM 454 HG LEU B 51 -16.041 -10.899 19.773 1.00 0.00 H ATOM 455 HD21 LEU B 51 -18.287 -8.860 19.538 1.00 0.00 H ATOM 456 HD22 LEU B 51 -17.923 -9.857 20.968 1.00 0.00 H ATOM 457 HD23 LEU B 51 -16.759 -8.625 20.421 1.00 0.00 H ATOM 458 HD11 LEU B 51 -15.660 -10.483 17.401 1.00 0.00 H ATOM 459 HD12 LEU B 51 -16.914 -9.218 17.408 1.00 0.00 H ATOM 460 HD13 LEU B 51 -15.423 -8.999 18.357 1.00 0.00 H ATOM 461 H LEU B 51 -19.427 -13.428 18.314 1.00 0.00 H ATOM 462 N ALA B 52 -16.613 -14.162 19.927 1.00 18.61 N ATOM 463 CA ALA B 52 -15.640 -14.791 20.818 1.00 17.11 C ATOM 464 C ALA B 52 -14.797 -15.819 20.093 1.00 11.50 C ATOM 465 O ALA B 52 -13.623 -15.983 20.381 1.00 13.79 O ATOM 466 CB ALA B 52 -16.352 -15.444 21.993 1.00 20.14 C ATOM 467 HA ALA B 52 -14.974 -14.009 21.183 1.00 0.00 H ATOM 468 HB1 ALA B 52 -16.907 -14.686 22.546 1.00 0.00 H ATOM 469 HB2 ALA B 52 -17.041 -16.203 21.622 1.00 0.00 H ATOM 470 HB3 ALA B 52 -15.616 -15.909 22.649 1.00 0.00 H ATOM 471 H ALA B 52 -17.622 -14.378 20.054 1.00 0.00 H ATOM 472 N ASP B 53 -15.406 -16.512 19.147 1.00 15.16 N ATOM 473 CA ASP B 53 -14.699 -17.518 18.371 1.00 16.26 C ATOM 474 C ASP B 53 -13.706 -16.852 17.418 1.00 18.26 C ATOM 475 O ASP B 53 -12.675 -17.429 17.069 1.00 19.82 O ATOM 476 CB ASP B 53 -15.691 -18.347 17.558 1.00 21.39 C ATOM 477 CG ASP B 53 -16.366 -19.421 18.379 1.00 22.57 C ATOM 478 OD1 ASP B 53 -16.038 -19.547 19.580 1.00 25.65 O ATOM 479 OD2 ASP B 53 -17.230 -20.129 17.824 1.00 24.23 O ATOM 480 HA ASP B 53 -14.159 -18.167 19.061 1.00 0.00 H ATOM 481 HB2 ASP B 53 -16.456 -17.682 17.158 1.00 0.00 H ATOM 482 HB3 ASP B 53 -15.157 -18.821 16.735 1.00 0.00 H ATOM 483 H ASP B 53 -16.412 -16.334 18.953 1.00 0.00 H ATOM 484 N VAL B 54 -14.019 -15.638 16.981 1.00 18.49 N ATOM 485 CA VAL B 54 -13.120 -14.939 16.075 1.00 16.73 C ATOM 486 C VAL B 54 -11.975 -14.327 16.861 1.00 16.39 C ATOM 487 O VAL B 54 -10.844 -14.260 16.380 1.00 21.20 O ATOM 488 CB VAL B 54 -13.860 -13.842 15.300 1.00 16.16 C ATOM 489 CG1 VAL B 54 -12.893 -13.093 14.379 1.00 16.37 C ATOM 490 CG2 VAL B 54 -14.991 -14.469 14.509 1.00 17.04 C ATOM 491 HA VAL B 54 -12.729 -15.660 15.357 1.00 0.00 H ATOM 492 HB VAL B 54 -14.277 -13.118 16.000 1.00 0.00 H ATOM 493 HG11 VAL B 54 -12.105 -12.636 14.977 1.00 0.00 H ATOM 494 HG12 VAL B 54 -12.453 -13.794 13.670 1.00 0.00 H ATOM 495 HG13 VAL B 54 -13.436 -12.318 13.837 1.00 0.00 H ATOM 496 HG21 VAL B 54 -14.583 -15.200 13.811 1.00 0.00 H ATOM 497 HG22 VAL B 54 -15.680 -14.964 15.193 1.00 0.00 H ATOM 498 HG23 VAL B 54 -15.520 -13.693 13.956 1.00 0.00 H ATOM 499 H VAL B 54 -14.905 -15.187 17.286 1.00 0.00 H ATOM 500 N GLN B 55 -12.270 -13.880 18.075 1.00 16.08 N ATOM 501 CA GLN B 55 -11.244 -13.288 18.918 1.00 19.85 C ATOM 502 C GLN B 55 -10.295 -14.379 19.385 1.00 23.03 C ATOM 503 O GLN B 55 -9.139 -14.114 19.721 1.00 25.60 O ATOM 504 CB GLN B 55 -11.871 -12.607 20.126 1.00 20.54 C ATOM 505 CG GLN B 55 -12.599 -11.337 19.780 1.00 23.49 C ATOM 506 CD GLN B 55 -13.370 -10.789 20.948 1.00 25.27 C ATOM 507 OE1 GLN B 55 -13.931 -11.544 21.732 1.00 24.67 O ATOM 508 NE2 GLN B 55 -13.404 -9.465 21.074 1.00 31.84 N ATOM 509 HA GLN B 55 -10.699 -12.540 18.342 1.00 0.00 H ATOM 510 HB2 GLN B 55 -12.578 -13.298 20.585 1.00 0.00 H ATOM 511 HB3 GLN B 55 -11.081 -12.370 20.839 1.00 0.00 H ATOM 512 HG2 GLN B 55 -11.872 -10.592 19.458 1.00 0.00 H ATOM 513 HG3 GLN B 55 -13.293 -11.541 18.965 1.00 0.00 H ATOM 514 HE22 GLN B 55 -12.912 -8.864 20.383 1.00 0.00 H ATOM 515 HE21 GLN B 55 -13.923 -9.031 21.864 1.00 0.00 H ATOM 516 H GLN B 55 -13.246 -13.954 18.427 1.00 0.00 H ATOM 517 N ALA B 56 -10.782 -15.615 19.395 1.00 22.93 N ATOM 518 CA ALA B 56 -9.960 -16.736 19.823 1.00 19.38 C ATOM 519 C ALA B 56 -8.792 -16.966 18.864 1.00 17.45 C ATOM 520 O ALA B 56 -7.751 -17.481 19.258 1.00 18.10 O ATOM 521 CB ALA B 56 -10.815 -18.001 19.931 1.00 21.00 C ATOM 522 HA ALA B 56 -9.546 -16.499 20.803 1.00 0.00 H ATOM 523 HB1 ALA B 56 -11.610 -17.840 20.659 1.00 0.00 H ATOM 524 HB2 ALA B 56 -11.252 -18.227 18.958 1.00 0.00 H ATOM 525 HB3 ALA B 56 -10.190 -18.834 20.252 1.00 0.00 H ATOM 526 H ALA B 56 -11.763 -15.783 19.093 1.00 0.00 H ATOM 527 N VAL B 57 -8.969 -16.570 17.608 1.00 14.94 N ATOM 528 CA VAL B 57 -7.930 -16.745 16.594 1.00 17.26 C ATOM 529 C VAL B 57 -6.602 -16.050 16.948 1.00 21.17 C ATOM 530 O VAL B 57 -5.534 -16.462 16.484 1.00 24.63 O ATOM 531 CB VAL B 57 -8.426 -16.237 15.215 1.00 14.06 C ATOM 532 CG1 VAL B 57 -7.360 -16.450 14.167 1.00 12.78 C ATOM 533 CG2 VAL B 57 -9.704 -16.962 14.823 1.00 12.72 C ATOM 534 HA VAL B 57 -7.730 -17.816 16.553 1.00 0.00 H ATOM 535 HB VAL B 57 -8.635 -15.170 15.286 1.00 0.00 H ATOM 536 HG11 VAL B 57 -6.461 -15.901 14.448 1.00 0.00 H ATOM 537 HG12 VAL B 57 -7.130 -17.513 14.095 1.00 0.00 H ATOM 538 HG13 VAL B 57 -7.722 -16.089 13.204 1.00 0.00 H ATOM 539 HG21 VAL B 57 -9.509 -18.033 14.763 1.00 0.00 H ATOM 540 HG22 VAL B 57 -10.472 -16.773 15.573 1.00 0.00 H ATOM 541 HG23 VAL B 57 -10.044 -16.598 13.853 1.00 0.00 H ATOM 542 H VAL B 57 -9.869 -16.124 17.339 1.00 0.00 H ATOM 543 N CYS B 58 -6.669 -15.004 17.768 1.00 20.53 N ATOM 544 CA CYS B 58 -5.479 -14.265 18.165 1.00 20.97 C ATOM 545 C CYS B 58 -4.501 -15.090 18.982 1.00 22.48 C ATOM 546 O CYS B 58 -3.409 -14.627 19.285 1.00 20.47 O ATOM 547 CB CYS B 58 -5.871 -13.016 18.940 1.00 17.59 C ATOM 548 SG CYS B 58 -6.648 -11.755 17.888 1.00 19.36 S ATOM 549 HA CYS B 58 -4.966 -13.991 17.243 1.00 0.00 H ATOM 550 HB2 CYS B 58 -4.975 -12.590 19.392 1.00 0.00 H ATOM 551 HB3 CYS B 58 -6.574 -13.298 19.724 1.00 0.00 H ATOM 552 H CYS B 58 -7.596 -14.707 18.135 1.00 0.00 H ATOM 553 N SER B 59 -4.905 -16.294 19.372 1.00 23.90 N ATOM 554 CA SER B 59 -4.004 -17.177 20.106 1.00 22.69 C ATOM 555 C SER B 59 -3.809 -18.491 19.342 1.00 21.73 C ATOM 556 O SER B 59 -3.354 -19.478 19.906 1.00 22.29 O ATOM 557 CB SER B 59 -4.545 -17.467 21.511 1.00 19.39 C ATOM 558 OG SER B 59 -5.927 -17.765 21.494 1.00 26.47 O ATOM 559 HA SER B 59 -3.042 -16.673 20.203 1.00 0.00 H ATOM 560 HB2 SER B 59 -4.381 -16.592 22.139 1.00 0.00 H ATOM 561 HB3 SER B 59 -4.006 -18.318 21.928 1.00 0.00 H ATOM 562 HG SER B 59 -6.425 -16.994 21.123 1.00 0.00 H ATOM 563 H SER B 59 -5.871 -16.610 19.152 1.00 0.00 H ATOM 564 N GLN B 60 -4.127 -18.491 18.051 1.00 20.81 N ATOM 565 CA GLN B 60 -4.006 -19.691 17.244 1.00 20.22 C ATOM 566 C GLN B 60 -2.746 -19.729 16.363 1.00 26.41 C ATOM 567 O GLN B 60 -1.652 -19.465 16.863 1.00 29.59 O ATOM 568 CB GLN B 60 -5.293 -19.880 16.439 1.00 13.58 C ATOM 569 CG GLN B 60 -6.465 -20.110 17.386 1.00 12.08 C ATOM 570 CD GLN B 60 -7.755 -20.506 16.710 1.00 15.56 C ATOM 571 OE1 GLN B 60 -7.797 -20.755 15.514 1.00 28.24 O ATOM 572 NE2 GLN B 60 -8.823 -20.570 17.486 1.00 16.25 N ATOM 573 HA GLN B 60 -3.875 -20.536 17.920 1.00 0.00 H ATOM 574 HB2 GLN B 60 -5.480 -18.988 15.841 1.00 0.00 H ATOM 575 HB3 GLN B 60 -5.185 -20.742 15.780 1.00 0.00 H ATOM 576 HG2 GLN B 60 -6.189 -20.902 18.082 1.00 0.00 H ATOM 577 HG3 GLN B 60 -6.641 -19.187 17.939 1.00 0.00 H ATOM 578 HE22 GLN B 60 -8.743 -20.350 18.499 1.00 0.00 H ATOM 579 HE21 GLN B 60 -9.743 -20.840 17.083 1.00 0.00 H ATOM 580 H GLN B 60 -4.469 -17.613 17.611 1.00 0.00 H ATOM 581 N LYS B 61 -2.871 -20.045 15.075 1.00 25.19 N ATOM 582 CA LYS B 61 -1.681 -20.142 14.236 1.00 25.64 C ATOM 583 C LYS B 61 -1.017 -18.815 13.875 1.00 24.14 C ATOM 584 O LYS B 61 -1.550 -18.039 13.095 1.00 23.09 O ATOM 585 CB LYS B 61 -2.012 -20.927 12.967 1.00 31.22 C ATOM 586 CG LYS B 61 -0.812 -21.206 12.076 1.00 43.36 C ATOM 587 CD LYS B 61 0.287 -21.991 12.797 1.00 51.78 C ATOM 588 CE LYS B 61 1.608 -21.940 12.017 1.00 59.99 C ATOM 589 NZ LYS B 61 2.677 -22.793 12.616 1.00 63.65 N ATOM 590 HA LYS B 61 -0.942 -20.664 14.844 1.00 0.00 H ATOM 591 HB2 LYS B 61 -2.450 -21.881 13.259 1.00 0.00 H ATOM 592 HB3 LYS B 61 -2.740 -20.356 12.391 1.00 0.00 H ATOM 593 HG2 LYS B 61 -1.144 -21.783 11.213 1.00 0.00 H ATOM 594 HG3 LYS B 61 -0.399 -20.255 11.739 1.00 0.00 H ATOM 595 HD2 LYS B 61 0.441 -21.561 13.786 1.00 0.00 H ATOM 596 HD3 LYS B 61 -0.026 -23.030 12.899 1.00 0.00 H ATOM 597 HE2 LYS B 61 1.959 -20.908 11.996 1.00 0.00 H ATOM 598 HE3 LYS B 61 1.423 -22.280 10.998 1.00 0.00 H ATOM 599 HZ1 LYS B 61 2.871 -22.473 13.586 1.00 0.00 H ATOM 600 HZ2 LYS B 61 2.360 -23.783 12.634 1.00 0.00 H ATOM 601 HZ3 LYS B 61 3.542 -22.715 12.044 1.00 0.00 H ATOM 602 H LYS B 61 -3.812 -20.222 14.669 1.00 0.00 H ATOM 603 N ASN B 62 0.163 -18.565 14.436 1.00 22.57 N ATOM 604 CA ASN B 62 0.888 -17.334 14.140 1.00 25.44 C ATOM 605 C ASN B 62 1.592 -17.390 12.783 1.00 26.53 C ATOM 606 O ASN B 62 2.446 -18.244 12.529 1.00 25.26 O ATOM 607 CB ASN B 62 1.924 -17.031 15.223 1.00 23.64 C ATOM 608 CG ASN B 62 2.711 -15.761 14.934 1.00 26.91 C ATOM 609 OD1 ASN B 62 3.916 -15.691 15.180 1.00 27.35 O ATOM 610 ND2 ASN B 62 2.027 -14.751 14.407 1.00 24.14 N ATOM 611 HA ASN B 62 0.142 -16.540 14.112 1.00 0.00 H ATOM 612 HB2 ASN B 62 1.410 -16.915 16.177 1.00 0.00 H ATOM 613 HB3 ASN B 62 2.620 -17.868 15.286 1.00 0.00 H ATOM 614 HD22 ASN B 62 1.010 -14.855 14.216 1.00 0.00 H ATOM 615 HD21 ASN B 62 2.509 -13.856 14.185 1.00 0.00 H ATOM 616 H ASN B 62 0.574 -19.257 15.095 1.00 0.00 H ATOM 617 N VAL B 63 1.216 -16.469 11.908 1.00 27.40 N ATOM 618 CA VAL B 63 1.811 -16.390 10.589 1.00 27.90 C ATOM 619 C VAL B 63 2.215 -14.941 10.334 1.00 29.51 C ATOM 620 O VAL B 63 2.091 -14.090 11.220 1.00 31.12 O ATOM 621 CB VAL B 63 0.814 -16.856 9.498 1.00 27.40 C ATOM 622 CG1 VAL B 63 0.463 -18.322 9.716 1.00 21.18 C ATOM 623 CG2 VAL B 63 -0.439 -15.985 9.517 1.00 20.09 C ATOM 624 HA VAL B 63 2.681 -17.045 10.546 1.00 0.00 H ATOM 625 HB VAL B 63 1.279 -16.752 8.518 1.00 0.00 H ATOM 626 HG11 VAL B 63 1.370 -18.924 9.658 1.00 0.00 H ATOM 627 HG12 VAL B 63 0.007 -18.443 10.699 1.00 0.00 H ATOM 628 HG13 VAL B 63 -0.238 -18.645 8.946 1.00 0.00 H ATOM 629 HG21 VAL B 63 -0.918 -16.061 10.493 1.00 0.00 H ATOM 630 HG22 VAL B 63 -0.162 -14.948 9.327 1.00 0.00 H ATOM 631 HG23 VAL B 63 -1.129 -16.326 8.745 1.00 0.00 H ATOM 632 H VAL B 63 0.477 -15.787 12.174 1.00 0.00 H ATOM 633 N ALA B 64 2.710 -14.658 9.134 1.00 31.87 N ATOM 634 CA ALA B 64 3.104 -13.296 8.793 1.00 31.61 C ATOM 635 C ALA B 64 2.027 -12.628 7.940 1.00 30.88 C ATOM 636 O ALA B 64 1.423 -13.249 7.061 1.00 32.68 O ATOM 637 CB ALA B 64 4.444 -13.295 8.057 1.00 29.28 C ATOM 638 HA ALA B 64 3.217 -12.728 9.716 1.00 0.00 H ATOM 639 HB1 ALA B 64 5.209 -13.736 8.696 1.00 0.00 H ATOM 640 HB2 ALA B 64 4.354 -13.878 7.141 1.00 0.00 H ATOM 641 HB3 ALA B 64 4.721 -12.270 7.811 1.00 0.00 H ATOM 642 H ALA B 64 2.818 -15.416 8.430 1.00 0.00 H ATOM 643 N CYS B 65 1.763 -11.362 8.232 1.00 31.87 N ATOM 644 CA CYS B 65 0.774 -10.615 7.475 1.00 30.85 C ATOM 645 C CYS B 65 1.390 -10.362 6.113 1.00 32.71 C ATOM 646 O CYS B 65 2.609 -10.296 5.996 1.00 33.49 O ATOM 647 CB CYS B 65 0.479 -9.290 8.166 1.00 29.02 C ATOM 648 SG CYS B 65 0.247 -9.419 9.968 1.00 32.65 S ATOM 649 HA CYS B 65 -0.164 -11.164 7.395 1.00 0.00 H ATOM 650 HB2 CYS B 65 -0.431 -8.874 7.733 1.00 0.00 H ATOM 651 HB3 CYS B 65 1.312 -8.613 7.976 1.00 0.00 H ATOM 652 H CYS B 65 2.270 -10.898 9.013 1.00 0.00 H ATOM 653 N LYS B 66 0.562 -10.233 5.084 1.00 35.64 N ATOM 654 CA LYS B 66 1.083 -9.989 3.746 1.00 39.93 C ATOM 655 C LYS B 66 2.024 -8.792 3.712 1.00 40.63 C ATOM 656 O LYS B 66 2.939 -8.733 2.893 1.00 43.03 O ATOM 657 CB LYS B 66 -0.065 -9.788 2.751 1.00 41.11 C ATOM 658 CG LYS B 66 -0.919 -8.578 3.011 1.00 51.78 C ATOM 659 CD LYS B 66 -2.075 -8.503 2.028 1.00 58.71 C ATOM 660 CE LYS B 66 -1.768 -7.551 0.875 1.00 66.23 C ATOM 661 NZ LYS B 66 -2.624 -7.831 -0.313 1.00 72.12 N ATOM 662 HA LYS B 66 1.657 -10.869 3.456 1.00 0.00 H ATOM 663 HB2 LYS B 66 0.363 -9.693 1.753 1.00 0.00 H ATOM 664 HB3 LYS B 66 -0.705 -10.670 2.788 1.00 0.00 H ATOM 665 HG2 LYS B 66 -1.316 -8.633 4.025 1.00 0.00 H ATOM 666 HG3 LYS B 66 -0.307 -7.682 2.910 1.00 0.00 H ATOM 667 HD2 LYS B 66 -2.263 -9.498 1.625 1.00 0.00 H ATOM 668 HD3 LYS B 66 -2.963 -8.150 2.552 1.00 0.00 H ATOM 669 HE2 LYS B 66 -0.722 -7.665 0.592 1.00 0.00 H ATOM 670 HE3 LYS B 66 -1.945 -6.527 1.205 1.00 0.00 H ATOM 671 HZ1 LYS B 66 -2.456 -8.805 -0.638 1.00 0.00 H ATOM 672 HZ2 LYS B 66 -3.624 -7.719 -0.052 1.00 0.00 H ATOM 673 HZ3 LYS B 66 -2.386 -7.164 -1.075 1.00 0.00 H ATOM 674 H LYS B 66 -0.465 -10.307 5.234 1.00 0.00 H ATOM 675 N ASN B 67 1.813 -7.848 4.618 1.00 40.97 N ATOM 676 CA ASN B 67 2.652 -6.660 4.668 1.00 45.20 C ATOM 677 C ASN B 67 4.025 -6.959 5.242 1.00 46.45 C ATOM 678 O ASN B 67 4.898 -6.092 5.242 1.00 50.75 O ATOM 679 CB ASN B 67 1.976 -5.568 5.499 1.00 49.30 C ATOM 680 CG ASN B 67 1.895 -5.920 6.973 1.00 51.77 C ATOM 681 OD1 ASN B 67 2.139 -7.059 7.362 1.00 59.71 O ATOM 682 ND2 ASN B 67 1.546 -4.940 7.800 1.00 50.13 N ATOM 683 HA ASN B 67 2.784 -6.314 3.643 1.00 0.00 H ATOM 684 HB2 ASN B 67 2.545 -4.645 5.391 1.00 0.00 H ATOM 685 HB3 ASN B 67 0.965 -5.416 5.120 1.00 0.00 H ATOM 686 HD22 ASN B 67 1.348 -3.990 7.426 1.00 0.00 H ATOM 687 HD21 ASN B 67 1.471 -5.123 8.821 1.00 0.00 H ATOM 688 H ASN B 67 1.038 -7.958 5.302 1.00 0.00 H ATOM 689 N GLY B 68 4.210 -8.185 5.725 1.00 47.54 N ATOM 690 CA GLY B 68 5.484 -8.579 6.310 1.00 45.64 C ATOM 691 C GLY B 68 5.450 -8.655 7.831 1.00 45.02 C ATOM 692 O GLY B 68 6.260 -9.354 8.440 1.00 44.05 O ATOM 693 HA3 GLY B 68 6.240 -7.851 6.016 1.00 0.00 H ATOM 694 HA2 GLY B 68 5.756 -9.560 5.920 1.00 0.00 H ATOM 695 H GLY B 68 3.432 -8.873 5.684 1.00 0.00 H ATOM 696 N GLN B 69 4.518 -7.930 8.448 1.00 45.17 N ATOM 697 CA GLN B 69 4.378 -7.927 9.901 1.00 41.03 C ATOM 698 C GLN B 69 4.085 -9.350 10.358 1.00 39.44 C ATOM 699 O GLN B 69 3.728 -10.198 9.542 1.00 38.35 O ATOM 700 CB GLN B 69 3.240 -6.991 10.327 1.00 41.36 C ATOM 701 CG GLN B 69 3.508 -5.523 10.035 1.00 40.63 C ATOM 702 CD GLN B 69 4.398 -4.871 11.077 1.00 41.84 C ATOM 703 OE1 GLN B 69 3.988 -4.681 12.221 1.00 42.59 O ATOM 704 NE2 GLN B 69 5.621 -4.522 10.685 1.00 42.44 N ATOM 705 HA GLN B 69 5.299 -7.569 10.360 1.00 0.00 H ATOM 706 HB2 GLN B 69 2.335 -7.287 9.797 1.00 0.00 H ATOM 707 HB3 GLN B 69 3.085 -7.105 11.400 1.00 0.00 H ATOM 708 HG2 GLN B 69 3.994 -5.444 9.062 1.00 0.00 H ATOM 709 HG3 GLN B 69 2.556 -4.993 10.008 1.00 0.00 H ATOM 710 HE22 GLN B 69 5.925 -4.702 9.707 1.00 0.00 H ATOM 711 HE21 GLN B 69 6.273 -4.069 11.357 1.00 0.00 H ATOM 712 H GLN B 69 3.871 -7.349 7.878 1.00 0.00 H ATOM 713 N THR B 70 4.224 -9.614 11.654 1.00 35.60 N ATOM 714 CA THR B 70 3.982 -10.959 12.152 1.00 37.34 C ATOM 715 C THR B 70 3.041 -11.073 13.339 1.00 33.18 C ATOM 716 O THR B 70 3.169 -11.992 14.146 1.00 30.59 O ATOM 717 CB THR B 70 5.301 -11.650 12.515 1.00 40.94 C ATOM 718 OG1 THR B 70 6.016 -10.835 13.451 1.00 44.52 O ATOM 719 CG2 THR B 70 6.154 -11.854 11.261 1.00 40.13 C ATOM 720 HA THR B 70 3.480 -11.451 11.319 1.00 0.00 H ATOM 721 HB THR B 70 5.086 -12.623 12.957 1.00 0.00 H ATOM 722 HG1 THR B 70 6.869 -11.278 13.688 1.00 0.00 H ATOM 723 HG23 THR B 70 5.609 -12.474 10.549 1.00 0.00 H ATOM 724 HG21 THR B 70 6.371 -10.886 10.809 1.00 0.00 H ATOM 725 HG22 THR B 70 7.087 -12.347 11.534 1.00 0.00 H ATOM 726 H THR B 70 4.506 -8.859 12.311 1.00 0.00 H ATOM 727 N ASN B 71 2.098 -10.145 13.453 1.00 31.53 N ATOM 728 CA ASN B 71 1.123 -10.210 14.536 1.00 25.73 C ATOM 729 C ASN B 71 -0.155 -10.669 13.876 1.00 23.33 C ATOM 730 O ASN B 71 -1.226 -10.116 14.101 1.00 24.61 O ATOM 731 CB ASN B 71 0.909 -8.847 15.188 1.00 26.78 C ATOM 732 CG ASN B 71 0.492 -7.779 14.195 1.00 29.22 C ATOM 733 OD1 ASN B 71 1.040 -7.684 13.093 1.00 30.37 O ATOM 734 ND2 ASN B 71 -0.480 -6.959 14.587 1.00 30.90 N ATOM 735 HA ASN B 71 1.459 -10.878 15.329 1.00 0.00 H ATOM 736 HB2 ASN B 71 0.131 -8.941 15.946 1.00 0.00 H ATOM 737 HB3 ASN B 71 1.840 -8.537 15.662 1.00 0.00 H ATOM 738 HD22 ASN B 71 -0.913 -7.077 15.525 1.00 0.00 H ATOM 739 HD21 ASN B 71 -0.807 -6.200 13.955 1.00 0.00 H ATOM 740 H ASN B 71 2.054 -9.366 12.765 1.00 0.00 H ATOM 741 N CYS B 72 -0.021 -11.680 13.030 1.00 20.21 N ATOM 742 CA CYS B 72 -1.168 -12.221 12.335 1.00 24.30 C ATOM 743 C CYS B 72 -1.329 -13.683 12.718 1.00 27.08 C ATOM 744 O CYS B 72 -0.347 -14.365 13.021 1.00 26.27 O ATOM 745 CB CYS B 72 -0.989 -12.076 10.826 1.00 23.91 C ATOM 746 SG CYS B 72 -1.494 -10.455 10.159 1.00 29.54 S ATOM 747 HA CYS B 72 -2.065 -11.671 12.620 1.00 0.00 H ATOM 748 HB2 CYS B 72 -1.584 -12.847 10.336 1.00 0.00 H ATOM 749 HB3 CYS B 72 0.064 -12.228 10.591 1.00 0.00 H ATOM 750 H CYS B 72 0.920 -12.089 12.864 1.00 0.00 H ATOM 751 N TYR B 73 -2.581 -14.139 12.730 1.00 26.53 N ATOM 752 CA TYR B 73 -2.911 -15.503 13.090 1.00 22.09 C ATOM 753 C TYR B 73 -3.949 -16.110 12.161 1.00 25.37 C ATOM 754 O TYR B 73 -4.942 -15.478 11.802 1.00 24.13 O ATOM 755 CB TYR B 73 -3.428 -15.560 14.529 1.00 25.08 C ATOM 756 CG TYR B 73 -2.423 -15.074 15.531 1.00 26.80 C ATOM 757 CD1 TYR B 73 -1.608 -15.974 16.202 1.00 27.74 C ATOM 758 CD2 TYR B 73 -2.236 -13.709 15.759 1.00 29.72 C ATOM 759 CE1 TYR B 73 -0.623 -15.539 17.076 1.00 30.42 C ATOM 760 CE2 TYR B 73 -1.252 -13.255 16.632 1.00 30.78 C ATOM 761 CZ TYR B 73 -0.444 -14.178 17.289 1.00 32.28 C ATOM 762 OH TYR B 73 0.535 -13.738 18.158 1.00 33.86 O ATOM 763 HA TYR B 73 -1.995 -16.086 12.997 1.00 0.00 H ATOM 764 HB3 TYR B 73 -3.684 -16.593 14.766 1.00 0.00 H ATOM 765 HB2 TYR B 73 -4.321 -14.939 14.603 1.00 0.00 H ATOM 766 HD2 TYR B 73 -2.871 -12.988 15.245 1.00 0.00 H ATOM 767 HE2 TYR B 73 -1.115 -12.187 16.800 1.00 0.00 H ATOM 768 HE1 TYR B 73 0.008 -16.262 17.593 1.00 0.00 H ATOM 769 HD1 TYR B 73 -1.744 -17.043 16.039 1.00 0.00 H ATOM 770 HH TYR B 73 1.014 -14.518 18.536 1.00 0.00 H ATOM 771 H TYR B 73 -3.351 -13.490 12.471 1.00 0.00 H ATOM 772 N GLN B 74 -3.693 -17.351 11.770 1.00 24.83 N ATOM 773 CA GLN B 74 -4.582 -18.088 10.899 1.00 19.71 C ATOM 774 C GLN B 74 -5.452 -18.996 11.762 1.00 21.82 C ATOM 775 O GLN B 74 -4.970 -19.609 12.717 1.00 19.72 O ATOM 776 CB GLN B 74 -3.755 -18.917 9.928 1.00 20.81 C ATOM 777 CG GLN B 74 -4.570 -19.765 8.992 1.00 23.95 C ATOM 778 CD GLN B 74 -3.745 -20.281 7.837 1.00 25.73 C ATOM 779 OE1 GLN B 74 -3.976 -21.374 7.333 1.00 35.49 O ATOM 780 NE2 GLN B 74 -2.776 -19.493 7.413 1.00 29.42 N ATOM 781 HA GLN B 74 -5.215 -17.409 10.328 1.00 0.00 H ATOM 782 HB2 GLN B 74 -3.146 -18.238 9.332 1.00 0.00 H ATOM 783 HB3 GLN B 74 -3.105 -19.574 10.506 1.00 0.00 H ATOM 784 HG2 GLN B 74 -4.972 -20.614 9.545 1.00 0.00 H ATOM 785 HG3 GLN B 74 -5.392 -19.166 8.599 1.00 0.00 H ATOM 786 HE22 GLN B 74 -2.616 -18.573 7.871 1.00 0.00 H ATOM 787 HE21 GLN B 74 -2.172 -19.792 6.621 1.00 0.00 H ATOM 788 H GLN B 74 -2.821 -17.811 12.102 1.00 0.00 H ATOM 789 N SER B 75 -6.732 -19.083 11.421 1.00 19.80 N ATOM 790 CA SER B 75 -7.653 -19.912 12.181 1.00 20.93 C ATOM 791 C SER B 75 -7.410 -21.380 11.894 1.00 24.49 C ATOM 792 O SER B 75 -7.220 -21.773 10.738 1.00 26.22 O ATOM 793 CB SER B 75 -9.104 -19.557 11.834 1.00 18.56 C ATOM 794 OG SER B 75 -9.362 -19.743 10.451 1.00 20.05 O ATOM 795 HA SER B 75 -7.481 -19.723 13.241 1.00 0.00 H ATOM 796 HB2 SER B 75 -9.287 -18.514 12.093 1.00 0.00 H ATOM 797 HB3 SER B 75 -9.774 -20.196 12.410 1.00 0.00 H ATOM 798 HG SER B 75 -9.202 -20.690 10.211 1.00 0.00 H ATOM 799 H SER B 75 -7.081 -18.551 10.599 1.00 0.00 H ATOM 800 N TYR B 76 -7.397 -22.187 12.951 1.00 20.22 N ATOM 801 CA TYR B 76 -7.202 -23.624 12.806 1.00 22.54 C ATOM 802 C TYR B 76 -8.233 -24.168 11.817 1.00 23.27 C ATOM 803 O TYR B 76 -7.911 -24.945 10.917 1.00 25.40 O ATOM 804 CB TYR B 76 -7.376 -24.325 14.163 1.00 23.46 C ATOM 805 CG TYR B 76 -6.198 -24.165 15.098 1.00 25.60 C ATOM 806 CD1 TYR B 76 -4.927 -24.593 14.717 1.00 30.53 C ATOM 807 CD2 TYR B 76 -6.343 -23.565 16.355 1.00 21.60 C ATOM 808 CE1 TYR B 76 -3.826 -24.429 15.557 1.00 27.58 C ATOM 809 CE2 TYR B 76 -5.245 -23.396 17.205 1.00 17.86 C ATOM 810 CZ TYR B 76 -3.991 -23.831 16.795 1.00 24.36 C ATOM 811 OH TYR B 76 -2.894 -23.678 17.611 1.00 23.88 O ATOM 812 HA TYR B 76 -6.193 -23.815 12.439 1.00 0.00 H ATOM 813 HB3 TYR B 76 -7.527 -25.389 13.982 1.00 0.00 H ATOM 814 HB2 TYR B 76 -8.259 -23.912 14.651 1.00 0.00 H ATOM 815 HD2 TYR B 76 -7.327 -23.224 16.676 1.00 0.00 H ATOM 816 HE2 TYR B 76 -5.372 -22.927 18.181 1.00 0.00 H ATOM 817 HE1 TYR B 76 -2.840 -24.770 15.241 1.00 0.00 H ATOM 818 HD1 TYR B 76 -4.791 -25.065 13.744 1.00 0.00 H ATOM 819 HH TYR B 76 -2.093 -24.043 17.157 1.00 0.00 H ATOM 820 H TYR B 76 -7.529 -21.784 13.901 1.00 0.00 H ATOM 821 N SER B 77 -9.475 -23.725 11.983 1.00 25.92 N ATOM 822 CA SER B 77 -10.584 -24.172 11.146 1.00 23.47 C ATOM 823 C SER B 77 -11.102 -23.124 10.160 1.00 21.31 C ATOM 824 O SER B 77 -10.767 -21.941 10.236 1.00 18.86 O ATOM 825 CB SER B 77 -11.738 -24.618 12.044 1.00 21.06 C ATOM 826 OG SER B 77 -12.238 -23.520 12.790 1.00 21.58 O ATOM 827 HA SER B 77 -10.193 -24.991 10.542 1.00 0.00 H ATOM 828 HB2 SER B 77 -11.383 -25.387 12.730 1.00 0.00 H ATOM 829 HB3 SER B 77 -12.537 -25.026 11.426 1.00 0.00 H ATOM 830 HG SER B 77 -11.514 -23.149 13.355 1.00 0.00 H ATOM 831 H SER B 77 -9.664 -23.034 12.737 1.00 0.00 H ATOM 832 N THR B 78 -11.932 -23.582 9.229 1.00 25.54 N ATOM 833 CA THR B 78 -12.525 -22.680 8.253 1.00 25.32 C ATOM 834 C THR B 78 -13.755 -22.083 8.924 1.00 24.79 C ATOM 835 O THR B 78 -14.352 -22.697 9.811 1.00 25.96 O ATOM 836 CB THR B 78 -12.949 -23.408 6.942 1.00 24.67 C ATOM 837 OG1 THR B 78 -13.742 -24.553 7.260 1.00 23.65 O ATOM 838 CG2 THR B 78 -11.724 -23.856 6.145 1.00 22.31 C ATOM 839 HA THR B 78 -11.795 -21.925 7.960 1.00 0.00 H ATOM 840 HB THR B 78 -13.527 -22.709 6.337 1.00 0.00 H ATOM 841 HG1 THR B 78 -14.551 -24.266 7.752 1.00 0.00 H ATOM 842 HG23 THR B 78 -11.114 -22.987 5.899 1.00 0.00 H ATOM 843 HG21 THR B 78 -11.139 -24.554 6.743 1.00 0.00 H ATOM 844 HG22 THR B 78 -12.049 -24.345 5.227 1.00 0.00 H ATOM 845 H THR B 78 -12.160 -24.596 9.197 1.00 0.00 H ATOM 846 N MET B 79 -14.120 -20.876 8.519 1.00 24.43 N ATOM 847 CA MET B 79 -15.269 -20.200 9.093 1.00 19.40 C ATOM 848 C MET B 79 -16.183 -19.726 7.977 1.00 17.01 C ATOM 849 O MET B 79 -15.748 -19.560 6.842 1.00 17.76 O ATOM 850 CB MET B 79 -14.792 -19.024 9.945 1.00 23.64 C ATOM 851 CG MET B 79 -13.981 -19.463 11.169 1.00 16.64 C ATOM 852 SD MET B 79 -13.303 -18.076 12.103 1.00 25.14 S ATOM 853 CE MET B 79 -13.233 -18.753 13.749 1.00 20.88 C ATOM 854 HA MET B 79 -15.827 -20.885 9.731 1.00 0.00 H ATOM 855 HB2 MET B 79 -14.168 -18.378 9.328 1.00 0.00 H ATOM 856 HB3 MET B 79 -15.664 -18.466 10.287 1.00 0.00 H ATOM 857 HG2 MET B 79 -13.156 -20.091 10.832 1.00 0.00 H ATOM 858 HG3 MET B 79 -14.630 -20.040 11.827 1.00 0.00 H ATOM 859 HE1 MET B 79 -14.236 -19.037 14.067 1.00 0.00 H ATOM 860 HE2 MET B 79 -12.587 -19.631 13.752 1.00 0.00 H ATOM 861 HE3 MET B 79 -12.833 -18.004 14.432 1.00 0.00 H ATOM 862 H MET B 79 -13.571 -20.402 7.773 1.00 0.00 H ATOM 863 N SER B 80 -17.459 -19.539 8.295 1.00 16.17 N ATOM 864 CA SER B 80 -18.426 -19.085 7.307 1.00 17.90 C ATOM 865 C SER B 80 -18.209 -17.603 7.073 1.00 16.96 C ATOM 866 O SER B 80 -18.103 -16.822 8.018 1.00 17.97 O ATOM 867 CB SER B 80 -19.856 -19.335 7.798 1.00 21.11 C ATOM 868 OG SER B 80 -20.790 -18.695 6.945 1.00 26.94 O ATOM 869 HA SER B 80 -18.288 -19.638 6.378 1.00 0.00 H ATOM 870 HB2 SER B 80 -19.963 -18.941 8.809 1.00 0.00 H ATOM 871 HB3 SER B 80 -20.051 -20.407 7.805 1.00 0.00 H ATOM 872 HG SER B 80 -20.696 -19.053 6.027 1.00 0.00 H ATOM 873 H SER B 80 -17.773 -19.721 9.270 1.00 0.00 H ATOM 874 N ILE B 81 -18.125 -17.216 5.809 1.00 16.94 N ATOM 875 CA ILE B 81 -17.898 -15.817 5.479 1.00 19.66 C ATOM 876 C ILE B 81 -18.571 -15.427 4.185 1.00 19.18 C ATOM 877 O ILE B 81 -18.830 -16.274 3.335 1.00 21.10 O ATOM 878 CB ILE B 81 -16.381 -15.499 5.330 1.00 22.37 C ATOM 879 CG1 ILE B 81 -15.787 -16.308 4.179 1.00 28.66 C ATOM 880 CG2 ILE B 81 -15.633 -15.835 6.622 1.00 27.84 C ATOM 881 CD1 ILE B 81 -15.355 -15.468 2.985 1.00 30.82 C ATOM 882 HA ILE B 81 -18.323 -15.248 6.306 1.00 0.00 H ATOM 883 HB ILE B 81 -16.273 -14.434 5.122 1.00 0.00 H ATOM 884 HG12 ILE B 81 -14.916 -16.846 4.552 1.00 0.00 H ATOM 885 HG13 ILE B 81 -16.537 -17.024 3.841 1.00 0.00 H ATOM 886 HD11 ILE B 81 -16.217 -14.932 2.589 1.00 0.00 H ATOM 887 HD12 ILE B 81 -14.595 -14.754 3.301 1.00 0.00 H ATOM 888 HD13 ILE B 81 -14.945 -16.120 2.213 1.00 0.00 H ATOM 889 HG21 ILE B 81 -16.041 -15.242 7.441 1.00 0.00 H ATOM 890 HG22 ILE B 81 -15.753 -16.895 6.844 1.00 0.00 H ATOM 891 HG23 ILE B 81 -14.575 -15.606 6.498 1.00 0.00 H ATOM 892 H ILE B 81 -18.222 -17.917 5.047 1.00 0.00 H ATOM 893 N THR B 82 -18.846 -14.136 4.043 1.00 18.70 N ATOM 894 CA THR B 82 -19.448 -13.606 2.833 1.00 18.67 C ATOM 895 C THR B 82 -18.511 -12.529 2.295 1.00 19.20 C ATOM 896 O THR B 82 -18.193 -11.553 2.988 1.00 22.04 O ATOM 897 CB THR B 82 -20.831 -12.972 3.088 1.00 16.50 C ATOM 898 OG1 THR B 82 -21.741 -13.967 3.569 1.00 20.06 O ATOM 899 CG2 THR B 82 -21.379 -12.386 1.797 1.00 13.13 C ATOM 900 HA THR B 82 -19.592 -14.425 2.129 1.00 0.00 H ATOM 901 HB THR B 82 -20.722 -12.183 3.832 1.00 0.00 H ATOM 902 HG1 THR B 82 -21.395 -14.348 4.414 1.00 0.00 H ATOM 903 HG23 THR B 82 -20.692 -11.627 1.424 1.00 0.00 H ATOM 904 HG21 THR B 82 -21.485 -13.178 1.056 1.00 0.00 H ATOM 905 HG22 THR B 82 -22.352 -11.934 1.989 1.00 0.00 H ATOM 906 H THR B 82 -18.623 -13.484 4.822 1.00 0.00 H ATOM 907 N ASP B 83 -18.068 -12.723 1.060 1.00 19.26 N ATOM 908 CA ASP B 83 -17.176 -11.785 0.402 1.00 15.79 C ATOM 909 C ASP B 83 -18.032 -10.787 -0.385 1.00 18.93 C ATOM 910 O ASP B 83 -18.899 -11.183 -1.174 1.00 17.72 O ATOM 911 CB ASP B 83 -16.246 -12.553 -0.540 1.00 15.37 C ATOM 912 CG ASP B 83 -15.456 -11.645 -1.443 1.00 17.64 C ATOM 913 OD1 ASP B 83 -15.827 -11.516 -2.632 1.00 20.86 O ATOM 914 OD2 ASP B 83 -14.460 -11.063 -0.965 1.00 19.12 O ATOM 915 HA ASP B 83 -16.567 -11.250 1.130 1.00 0.00 H ATOM 916 HB2 ASP B 83 -15.551 -13.141 0.059 1.00 0.00 H ATOM 917 HB3 ASP B 83 -16.848 -13.221 -1.156 1.00 0.00 H ATOM 918 H ASP B 83 -18.370 -13.575 0.546 1.00 0.00 H ATOM 919 N CYS B 84 -17.800 -9.496 -0.165 1.00 16.55 N ATOM 920 CA CYS B 84 -18.553 -8.456 -0.868 1.00 19.78 C ATOM 921 C CYS B 84 -17.585 -7.708 -1.775 1.00 18.66 C ATOM 922 O CYS B 84 -16.664 -7.048 -1.294 1.00 19.63 O ATOM 923 CB CYS B 84 -19.188 -7.472 0.126 1.00 18.23 C ATOM 924 SG CYS B 84 -20.471 -8.199 1.191 1.00 17.39 S ATOM 925 HA CYS B 84 -19.355 -8.915 -1.447 1.00 0.00 H ATOM 926 HB2 CYS B 84 -19.638 -6.657 -0.441 1.00 0.00 H ATOM 927 HB3 CYS B 84 -18.399 -7.076 0.765 1.00 0.00 H ATOM 928 H CYS B 84 -17.068 -9.220 0.521 1.00 0.00 H ATOM 929 N ARG B 85 -17.802 -7.817 -3.084 1.00 19.05 N ATOM 930 CA ARG B 85 -16.948 -7.175 -4.080 1.00 20.29 C ATOM 931 C ARG B 85 -17.732 -6.237 -5.002 1.00 21.53 C ATOM 932 O ARG B 85 -18.763 -6.607 -5.563 1.00 22.53 O ATOM 933 CB ARG B 85 -16.239 -8.237 -4.922 1.00 11.68 C ATOM 934 CG ARG B 85 -15.049 -7.718 -5.706 1.00 5.50 C ATOM 935 CD ARG B 85 -14.001 -8.806 -5.860 1.00 4.64 C ATOM 936 NE ARG B 85 -12.641 -8.310 -5.698 1.00 2.00 N ATOM 937 CZ ARG B 85 -11.849 -8.608 -4.675 1.00 2.00 C ATOM 938 NH1 ARG B 85 -10.625 -8.105 -4.619 1.00 6.41 N ATOM 939 NH2 ARG B 85 -12.279 -9.405 -3.706 1.00 5.71 N ATOM 940 HA ARG B 85 -16.218 -6.574 -3.537 1.00 0.00 H ATOM 941 HB2 ARG B 85 -15.891 -9.026 -4.255 1.00 0.00 H ATOM 942 HB3 ARG B 85 -16.959 -8.651 -5.628 1.00 0.00 H ATOM 943 HG2 ARG B 85 -15.381 -7.397 -6.693 1.00 0.00 H ATOM 944 HG3 ARG B 85 -14.612 -6.871 -5.178 1.00 0.00 H ATOM 945 HD2 ARG B 85 -14.096 -9.243 -6.854 1.00 0.00 H ATOM 946 HD3 ARG B 85 -14.183 -9.574 -5.108 1.00 0.00 H ATOM 947 HE ARG B 85 -12.265 -7.679 -6.434 1.00 0.00 H ATOM 948 HH12 ARG B 85 -10.003 -8.337 -3.818 1.00 0.00 H ATOM 949 HH11 ARG B 85 -10.286 -7.478 -5.376 1.00 0.00 H ATOM 950 HH22 ARG B 85 -11.655 -9.635 -2.907 1.00 0.00 H ATOM 951 HH21 ARG B 85 -13.240 -9.800 -3.745 1.00 0.00 H ATOM 952 H ARG B 85 -18.612 -8.382 -3.410 1.00 0.00 H ATOM 953 N GLU B 86 -17.235 -5.018 -5.159 1.00 20.72 N ATOM 954 CA GLU B 86 -17.891 -4.046 -6.016 1.00 23.07 C ATOM 955 C GLU B 86 -17.878 -4.528 -7.466 1.00 23.99 C ATOM 956 O GLU B 86 -16.896 -5.093 -7.937 1.00 25.16 O ATOM 957 CB GLU B 86 -17.162 -2.701 -5.927 1.00 23.79 C ATOM 958 CG GLU B 86 -17.999 -1.536 -5.453 1.00 21.50 C ATOM 959 CD GLU B 86 -17.282 -0.214 -5.612 1.00 23.05 C ATOM 960 OE1 GLU B 86 -17.940 0.743 -6.061 1.00 24.39 O ATOM 961 OE2 GLU B 86 -16.070 -0.129 -5.297 1.00 20.66 O ATOM 962 HA GLU B 86 -18.923 -3.928 -5.684 1.00 0.00 H ATOM 963 HB2 GLU B 86 -16.326 -2.817 -5.237 1.00 0.00 H ATOM 964 HB3 GLU B 86 -16.781 -2.459 -6.919 1.00 0.00 H ATOM 965 HG2 GLU B 86 -18.921 -1.507 -6.033 1.00 0.00 H ATOM 966 HG3 GLU B 86 -18.238 -1.681 -4.400 1.00 0.00 H ATOM 967 H GLU B 86 -16.361 -4.753 -4.661 1.00 0.00 H ATOM 968 N THR B 87 -18.976 -4.310 -8.171 1.00 22.56 N ATOM 969 CA THR B 87 -19.035 -4.686 -9.572 1.00 30.18 C ATOM 970 C THR B 87 -18.228 -3.632 -10.340 1.00 32.28 C ATOM 971 O THR B 87 -17.865 -2.589 -9.790 1.00 31.74 O ATOM 972 CB THR B 87 -20.484 -4.694 -10.086 1.00 32.35 C ATOM 973 OG1 THR B 87 -21.060 -3.392 -9.931 1.00 37.39 O ATOM 974 CG2 THR B 87 -21.299 -5.693 -9.304 1.00 39.43 C ATOM 975 HA THR B 87 -18.634 -5.690 -9.711 1.00 0.00 H ATOM 976 HB THR B 87 -20.484 -4.970 -11.140 1.00 0.00 H ATOM 977 HG1 THR B 87 -21.992 -3.403 -10.263 1.00 0.00 H ATOM 978 HG23 THR B 87 -20.863 -6.685 -9.420 1.00 0.00 H ATOM 979 HG21 THR B 87 -21.298 -5.415 -8.250 1.00 0.00 H ATOM 980 HG22 THR B 87 -22.322 -5.698 -9.679 1.00 0.00 H ATOM 981 H THR B 87 -19.801 -3.867 -7.719 1.00 0.00 H ATOM 982 N GLY B 88 -17.944 -3.901 -11.607 1.00 35.73 N ATOM 983 CA GLY B 88 -17.182 -2.952 -12.396 1.00 40.21 C ATOM 984 C GLY B 88 -17.978 -1.714 -12.752 1.00 42.32 C ATOM 985 O GLY B 88 -17.417 -0.724 -13.215 1.00 44.80 O ATOM 986 HA3 GLY B 88 -16.865 -3.440 -13.318 1.00 0.00 H ATOM 987 HA2 GLY B 88 -16.304 -2.650 -11.826 1.00 0.00 H ATOM 988 H GLY B 88 -18.267 -4.792 -12.035 1.00 0.00 H ATOM 989 N SER B 89 -19.286 -1.761 -12.523 1.00 43.38 N ATOM 990 CA SER B 89 -20.169 -0.642 -12.836 1.00 46.84 C ATOM 991 C SER B 89 -20.404 0.323 -11.661 1.00 48.79 C ATOM 992 O SER B 89 -20.617 1.519 -11.863 1.00 51.39 O ATOM 993 CB SER B 89 -21.520 -1.172 -13.326 1.00 50.37 C ATOM 994 OG SER B 89 -22.049 -2.144 -12.435 1.00 56.84 O ATOM 995 HA SER B 89 -19.662 -0.069 -13.613 1.00 0.00 H ATOM 996 HB2 SER B 89 -21.388 -1.625 -14.308 1.00 0.00 H ATOM 997 HB3 SER B 89 -22.221 -0.341 -13.402 1.00 0.00 H ATOM 998 HG SER B 89 -21.419 -2.904 -12.366 1.00 0.00 H ATOM 999 H SER B 89 -19.694 -2.623 -12.107 1.00 0.00 H ATOM 1000 N SER B 90 -20.377 -0.209 -10.441 1.00 47.02 N ATOM 1001 CA SER B 90 -20.599 0.576 -9.227 1.00 40.52 C ATOM 1002 C SER B 90 -19.900 1.938 -9.194 1.00 39.57 C ATOM 1003 O SER B 90 -18.703 2.060 -9.490 1.00 34.90 O ATOM 1004 CB SER B 90 -20.172 -0.239 -8.004 1.00 36.75 C ATOM 1005 OG SER B 90 -20.507 0.429 -6.804 1.00 38.34 O ATOM 1006 HA SER B 90 -21.667 0.792 -9.216 1.00 0.00 H ATOM 1007 HB2 SER B 90 -19.093 -0.392 -8.037 1.00 0.00 H ATOM 1008 HB3 SER B 90 -20.676 -1.205 -8.026 1.00 0.00 H ATOM 1009 HG SER B 90 -20.048 1.306 -6.777 1.00 0.00 H ATOM 1010 H SER B 90 -20.190 -1.228 -10.347 1.00 0.00 H ATOM 1011 N LYS B 91 -20.672 2.959 -8.835 1.00 36.15 N ATOM 1012 CA LYS B 91 -20.162 4.317 -8.730 1.00 32.90 C ATOM 1013 C LYS B 91 -20.984 5.035 -7.683 1.00 26.92 C ATOM 1014 O LYS B 91 -22.205 4.941 -7.686 1.00 25.61 O ATOM 1015 CB LYS B 91 -20.301 5.048 -10.064 1.00 34.95 C ATOM 1016 CG LYS B 91 -19.278 6.163 -10.286 1.00 44.91 C ATOM 1017 CD LYS B 91 -19.377 7.257 -9.219 1.00 51.53 C ATOM 1018 CE LYS B 91 -18.951 8.618 -9.756 1.00 52.79 C ATOM 1019 NZ LYS B 91 -20.121 9.496 -10.056 1.00 56.65 N ATOM 1020 HA LYS B 91 -19.107 4.296 -8.459 1.00 0.00 H ATOM 1021 HB2 LYS B 91 -20.189 4.318 -10.866 1.00 0.00 H ATOM 1022 HB3 LYS B 91 -21.298 5.486 -10.110 1.00 0.00 H ATOM 1023 HG2 LYS B 91 -18.277 5.733 -10.257 1.00 0.00 H ATOM 1024 HG3 LYS B 91 -19.452 6.610 -11.265 1.00 0.00 H ATOM 1025 HD2 LYS B 91 -20.409 7.321 -8.875 1.00 0.00 H ATOM 1026 HD3 LYS B 91 -18.732 6.991 -8.381 1.00 0.00 H ATOM 1027 HE2 LYS B 91 -18.378 8.471 -10.671 1.00 0.00 H ATOM 1028 HE3 LYS B 91 -18.325 9.109 -9.012 1.00 0.00 H ATOM 1029 HZ1 LYS B 91 -20.722 9.039 -10.771 1.00 0.00 H ATOM 1030 HZ2 LYS B 91 -20.671 9.648 -9.186 1.00 0.00 H ATOM 1031 HZ3 LYS B 91 -19.783 10.410 -10.418 1.00 0.00 H ATOM 1032 H LYS B 91 -21.674 2.781 -8.622 1.00 0.00 H ATOM 1033 N TYR B 92 -20.313 5.739 -6.779 1.00 25.04 N ATOM 1034 CA TYR B 92 -21.020 6.480 -5.740 1.00 26.35 C ATOM 1035 C TYR B 92 -21.949 7.483 -6.414 1.00 26.38 C ATOM 1036 O TYR B 92 -21.560 8.129 -7.388 1.00 28.86 O ATOM 1037 CB TYR B 92 -20.034 7.232 -4.829 1.00 26.78 C ATOM 1038 CG TYR B 92 -20.706 7.867 -3.627 1.00 27.61 C ATOM 1039 CD1 TYR B 92 -21.033 7.105 -2.507 1.00 31.22 C ATOM 1040 CD2 TYR B 92 -21.071 9.215 -3.631 1.00 29.95 C ATOM 1041 CE1 TYR B 92 -21.709 7.663 -1.425 1.00 37.17 C ATOM 1042 CE2 TYR B 92 -21.750 9.789 -2.549 1.00 32.56 C ATOM 1043 CZ TYR B 92 -22.067 9.005 -1.448 1.00 38.54 C ATOM 1044 OH TYR B 92 -22.737 9.542 -0.362 1.00 34.23 O ATOM 1045 HA TYR B 92 -21.585 5.780 -5.124 1.00 0.00 H ATOM 1046 HB3 TYR B 92 -19.551 8.016 -5.412 1.00 0.00 H ATOM 1047 HB2 TYR B 92 -19.281 6.528 -4.475 1.00 0.00 H ATOM 1048 HD2 TYR B 92 -20.822 9.833 -4.494 1.00 0.00 H ATOM 1049 HE2 TYR B 92 -22.027 10.843 -2.571 1.00 0.00 H ATOM 1050 HE1 TYR B 92 -21.957 7.047 -0.561 1.00 0.00 H ATOM 1051 HD1 TYR B 92 -20.754 6.052 -2.477 1.00 0.00 H ATOM 1052 HH TYR B 92 -22.874 8.838 0.321 1.00 0.00 H ATOM 1053 H TYR B 92 -19.274 5.762 -6.812 1.00 0.00 H ATOM 1054 N PRO B 93 -23.177 7.653 -5.890 1.00 23.76 N ATOM 1055 CA PRO B 93 -23.781 6.996 -4.720 1.00 27.80 C ATOM 1056 C PRO B 93 -24.348 5.586 -4.923 1.00 28.74 C ATOM 1057 O PRO B 93 -24.664 4.891 -3.956 1.00 34.68 O ATOM 1058 CB PRO B 93 -24.870 7.976 -4.289 1.00 22.97 C ATOM 1059 CG PRO B 93 -25.286 8.633 -5.545 1.00 20.00 C ATOM 1060 CD PRO B 93 -24.092 8.650 -6.478 1.00 21.04 C ATOM 1061 HA PRO B 93 -23.007 6.802 -3.977 1.00 0.00 H ATOM 1062 HD3 PRO B 93 -24.383 8.363 -7.488 1.00 0.00 H ATOM 1063 HD2 PRO B 93 -23.630 9.637 -6.501 1.00 0.00 H ATOM 1064 HG3 PRO B 93 -25.611 9.653 -5.340 1.00 0.00 H ATOM 1065 HG2 PRO B 93 -26.105 8.077 -6.001 1.00 0.00 H ATOM 1066 HB2 PRO B 93 -25.707 7.448 -3.833 1.00 0.00 H ATOM 1067 HB3 PRO B 93 -24.475 8.707 -3.583 1.00 0.00 H ATOM 1068 N ASN B 94 -24.468 5.160 -6.171 1.00 28.08 N ATOM 1069 CA ASN B 94 -25.017 3.847 -6.470 1.00 29.24 C ATOM 1070 C ASN B 94 -24.001 2.720 -6.419 1.00 28.93 C ATOM 1071 O ASN B 94 -23.578 2.220 -7.460 1.00 33.63 O ATOM 1072 CB ASN B 94 -25.664 3.875 -7.848 1.00 34.51 C ATOM 1073 CG ASN B 94 -26.141 5.260 -8.234 1.00 43.31 C ATOM 1074 OD1 ASN B 94 -27.168 5.727 -7.740 1.00 47.24 O ATOM 1075 ND2 ASN B 94 -25.396 5.928 -9.119 1.00 45.28 N ATOM 1076 HA ASN B 94 -25.747 3.637 -5.688 1.00 0.00 H ATOM 1077 HB2 ASN B 94 -24.935 3.538 -8.584 1.00 0.00 H ATOM 1078 HB3 ASN B 94 -26.518 3.198 -7.848 1.00 0.00 H ATOM 1079 HD22 ASN B 94 -24.536 5.492 -9.509 1.00 0.00 H ATOM 1080 HD21 ASN B 94 -25.676 6.884 -9.418 1.00 0.00 H ATOM 1081 H ASN B 94 -24.164 5.776 -6.952 1.00 0.00 H ATOM 1082 N CYS B 95 -23.606 2.313 -5.215 1.00 28.03 N ATOM 1083 CA CYS B 95 -22.641 1.224 -5.077 1.00 26.44 C ATOM 1084 C CYS B 95 -23.346 -0.107 -5.386 1.00 27.65 C ATOM 1085 O CYS B 95 -24.517 -0.299 -5.063 1.00 28.64 O ATOM 1086 CB CYS B 95 -22.044 1.175 -3.660 1.00 24.38 C ATOM 1087 SG CYS B 95 -21.515 2.756 -2.919 1.00 21.14 S ATOM 1088 HA CYS B 95 -21.823 1.395 -5.777 1.00 0.00 H ATOM 1089 HB2 CYS B 95 -21.172 0.521 -3.694 1.00 0.00 H ATOM 1090 HB3 CYS B 95 -22.797 0.741 -3.002 1.00 0.00 H ATOM 1091 H CYS B 95 -23.988 2.774 -4.364 1.00 0.00 H ATOM 1092 N ALA B 96 -22.632 -1.020 -6.027 1.00 24.80 N ATOM 1093 CA ALA B 96 -23.195 -2.312 -6.377 1.00 23.83 C ATOM 1094 C ALA B 96 -22.181 -3.378 -5.996 1.00 23.07 C ATOM 1095 O ALA B 96 -21.000 -3.263 -6.328 1.00 20.26 O ATOM 1096 CB ALA B 96 -23.487 -2.370 -7.876 1.00 26.86 C ATOM 1097 HA ALA B 96 -24.133 -2.475 -5.846 1.00 0.00 H ATOM 1098 HB1 ALA B 96 -24.199 -1.587 -8.137 1.00 0.00 H ATOM 1099 HB2 ALA B 96 -22.561 -2.221 -8.431 1.00 0.00 H ATOM 1100 HB3 ALA B 96 -23.909 -3.344 -8.125 1.00 0.00 H ATOM 1101 H ALA B 96 -21.647 -0.807 -6.285 1.00 0.00 H ATOM 1102 N TYR B 97 -22.644 -4.411 -5.302 1.00 21.33 N ATOM 1103 CA TYR B 97 -21.755 -5.477 -4.875 1.00 22.06 C ATOM 1104 C TYR B 97 -22.150 -6.854 -5.373 1.00 23.71 C ATOM 1105 O TYR B 97 -23.324 -7.134 -5.625 1.00 27.00 O ATOM 1106 CB TYR B 97 -21.665 -5.504 -3.339 1.00 20.38 C ATOM 1107 CG TYR B 97 -20.989 -4.281 -2.784 1.00 18.52 C ATOM 1108 CD1 TYR B 97 -19.614 -4.262 -2.571 1.00 18.96 C ATOM 1109 CD2 TYR B 97 -21.706 -3.104 -2.568 1.00 21.92 C ATOM 1110 CE1 TYR B 97 -18.958 -3.097 -2.169 1.00 23.14 C ATOM 1111 CE2 TYR B 97 -21.066 -1.929 -2.166 1.00 24.06 C ATOM 1112 CZ TYR B 97 -19.691 -1.932 -1.973 1.00 23.16 C ATOM 1113 OH TYR B 97 -19.045 -0.769 -1.623 1.00 19.49 O ATOM 1114 HA TYR B 97 -20.787 -5.249 -5.322 1.00 0.00 H ATOM 1115 HB3 TYR B 97 -21.099 -6.385 -3.036 1.00 0.00 H ATOM 1116 HB2 TYR B 97 -22.674 -5.563 -2.930 1.00 0.00 H ATOM 1117 HD2 TYR B 97 -22.786 -3.101 -2.716 1.00 0.00 H ATOM 1118 HE2 TYR B 97 -21.641 -1.017 -2.005 1.00 0.00 H ATOM 1119 HE1 TYR B 97 -17.880 -3.101 -2.010 1.00 0.00 H ATOM 1120 HD1 TYR B 97 -19.038 -5.175 -2.721 1.00 0.00 H ATOM 1121 HH TYR B 97 -18.076 -0.947 -1.526 1.00 0.00 H ATOM 1122 H TYR B 97 -23.655 -4.457 -5.061 1.00 0.00 H ATOM 1123 N LYS B 98 -21.142 -7.714 -5.486 1.00 24.21 N ATOM 1124 CA LYS B 98 -21.313 -9.095 -5.898 1.00 21.53 C ATOM 1125 C LYS B 98 -21.122 -9.876 -4.605 1.00 20.42 C ATOM 1126 O LYS B 98 -20.114 -9.699 -3.910 1.00 18.68 O ATOM 1127 CB LYS B 98 -20.237 -9.492 -6.903 1.00 30.52 C ATOM 1128 CG LYS B 98 -20.442 -10.869 -7.484 1.00 34.20 C ATOM 1129 CD LYS B 98 -19.171 -11.409 -8.119 1.00 40.12 C ATOM 1130 CE LYS B 98 -19.339 -12.873 -8.474 1.00 43.46 C ATOM 1131 NZ LYS B 98 -19.871 -13.663 -7.330 1.00 42.87 N ATOM 1132 HA LYS B 98 -22.275 -9.276 -6.378 1.00 0.00 H ATOM 1133 HB2 LYS B 98 -20.240 -8.768 -7.718 1.00 0.00 H ATOM 1134 HB3 LYS B 98 -19.269 -9.468 -6.402 1.00 0.00 H ATOM 1135 HG2 LYS B 98 -20.754 -11.545 -6.688 1.00 0.00 H ATOM 1136 HG3 LYS B 98 -21.222 -10.819 -8.243 1.00 0.00 H ATOM 1137 HD2 LYS B 98 -18.952 -10.842 -9.024 1.00 0.00 H ATOM 1138 HD3 LYS B 98 -18.345 -11.302 -7.416 1.00 0.00 H ATOM 1139 HE2 LYS B 98 -18.370 -13.279 -8.763 1.00 0.00 H ATOM 1140 HE3 LYS B 98 -20.031 -12.956 -9.312 1.00 0.00 H ATOM 1141 HZ1 LYS B 98 -19.213 -13.595 -6.527 1.00 0.00 H ATOM 1142 HZ2 LYS B 98 -20.799 -13.286 -7.052 1.00 0.00 H ATOM 1143 HZ3 LYS B 98 -19.971 -14.658 -7.614 1.00 0.00 H ATOM 1144 H LYS B 98 -20.182 -7.380 -5.268 1.00 0.00 H ATOM 1145 N THR B 99 -22.085 -10.737 -4.290 1.00 19.30 N ATOM 1146 CA THR B 99 -22.048 -11.524 -3.061 1.00 20.88 C ATOM 1147 C THR B 99 -21.548 -12.959 -3.270 1.00 19.84 C ATOM 1148 O THR B 99 -22.092 -13.715 -4.075 1.00 25.73 O ATOM 1149 CB THR B 99 -23.453 -11.545 -2.403 1.00 19.24 C ATOM 1150 OG1 THR B 99 -23.954 -10.201 -2.295 1.00 16.48 O ATOM 1151 CG2 THR B 99 -23.395 -12.186 -1.009 1.00 22.41 C ATOM 1152 HA THR B 99 -21.329 -11.037 -2.402 1.00 0.00 H ATOM 1153 HB THR B 99 -24.119 -12.139 -3.029 1.00 0.00 H ATOM 1154 HG1 THR B 99 -23.337 -9.664 -1.738 1.00 0.00 H ATOM 1155 HG23 THR B 99 -23.015 -13.204 -1.094 1.00 0.00 H ATOM 1156 HG21 THR B 99 -22.733 -11.602 -0.369 1.00 0.00 H ATOM 1157 HG22 THR B 99 -24.396 -12.205 -0.577 1.00 0.00 H ATOM 1158 H THR B 99 -22.889 -10.853 -4.939 1.00 0.00 H ATOM 1159 N THR B 100 -20.503 -13.320 -2.532 1.00 20.70 N ATOM 1160 CA THR B 100 -19.906 -14.650 -2.623 1.00 21.90 C ATOM 1161 C THR B 100 -19.715 -15.292 -1.255 1.00 22.94 C ATOM 1162 O THR B 100 -18.788 -14.938 -0.528 1.00 23.06 O ATOM 1163 CB THR B 100 -18.522 -14.597 -3.299 1.00 23.69 C ATOM 1164 OG1 THR B 100 -18.627 -13.929 -4.563 1.00 26.17 O ATOM 1165 CG2 THR B 100 -17.982 -16.000 -3.510 1.00 23.25 C ATOM 1166 HA THR B 100 -20.603 -15.244 -3.215 1.00 0.00 H ATOM 1167 HB THR B 100 -17.837 -14.049 -2.652 1.00 0.00 H ATOM 1168 HG1 THR B 100 -18.959 -13.007 -4.421 1.00 0.00 H ATOM 1169 HG23 THR B 100 -17.903 -16.506 -2.548 1.00 0.00 H ATOM 1170 HG21 THR B 100 -18.659 -16.555 -4.159 1.00 0.00 H ATOM 1171 HG22 THR B 100 -16.997 -15.943 -3.974 1.00 0.00 H ATOM 1172 H THR B 100 -20.096 -12.632 -1.867 1.00 0.00 H ATOM 1173 N GLN B 101 -20.579 -16.246 -0.914 1.00 23.81 N ATOM 1174 CA GLN B 101 -20.488 -16.939 0.368 1.00 24.02 C ATOM 1175 C GLN B 101 -19.456 -18.073 0.292 1.00 22.69 C ATOM 1176 O GLN B 101 -19.266 -18.676 -0.760 1.00 27.81 O ATOM 1177 CB GLN B 101 -21.868 -17.489 0.770 1.00 24.07 C ATOM 1178 CG GLN B 101 -21.839 -18.505 1.917 1.00 28.17 C ATOM 1179 CD GLN B 101 -21.584 -17.858 3.274 1.00 33.70 C ATOM 1180 OE1 GLN B 101 -20.927 -18.436 4.140 1.00 32.89 O ATOM 1181 NE2 GLN B 101 -22.112 -16.650 3.460 1.00 34.97 N ATOM 1182 HA GLN B 101 -20.161 -16.230 1.128 1.00 0.00 H ATOM 1183 HB2 GLN B 101 -22.494 -16.650 1.074 1.00 0.00 H ATOM 1184 HB3 GLN B 101 -22.309 -17.972 -0.102 1.00 0.00 H ATOM 1185 HG2 GLN B 101 -22.799 -19.019 1.951 1.00 0.00 H ATOM 1186 HG3 GLN B 101 -21.047 -19.229 1.722 1.00 0.00 H ATOM 1187 HE22 GLN B 101 -22.660 -16.199 2.700 1.00 0.00 H ATOM 1188 HE21 GLN B 101 -21.976 -16.157 4.366 1.00 0.00 H ATOM 1189 H GLN B 101 -21.337 -16.504 -1.577 1.00 0.00 H ATOM 1190 N ALA B 102 -18.786 -18.359 1.405 1.00 25.13 N ATOM 1191 CA ALA B 102 -17.780 -19.417 1.427 1.00 22.23 C ATOM 1192 C ALA B 102 -17.347 -19.761 2.840 1.00 23.65 C ATOM 1193 O ALA B 102 -17.732 -19.095 3.797 1.00 24.46 O ATOM 1194 CB ALA B 102 -16.560 -18.996 0.615 1.00 23.00 C ATOM 1195 HA ALA B 102 -18.235 -20.305 0.987 1.00 0.00 H ATOM 1196 HB1 ALA B 102 -16.859 -18.807 -0.416 1.00 0.00 H ATOM 1197 HB2 ALA B 102 -16.135 -18.088 1.044 1.00 0.00 H ATOM 1198 HB3 ALA B 102 -15.817 -19.793 0.639 1.00 0.00 H ATOM 1199 H ALA B 102 -18.982 -17.821 2.273 1.00 0.00 H ATOM 1200 N ASN B 103 -16.550 -20.819 2.956 1.00 27.18 N ATOM 1201 CA ASN B 103 -16.009 -21.260 4.238 1.00 30.71 C ATOM 1202 C ASN B 103 -14.493 -21.306 4.065 1.00 30.16 C ATOM 1203 O ASN B 103 -13.981 -22.089 3.273 1.00 34.07 O ATOM 1204 CB ASN B 103 -16.532 -22.649 4.597 1.00 29.98 C ATOM 1205 CG ASN B 103 -18.018 -22.653 4.850 1.00 34.81 C ATOM 1206 OD1 ASN B 103 -18.457 -22.850 5.974 1.00 38.53 O ATOM 1207 ND2 ASN B 103 -18.806 -22.426 3.803 1.00 42.57 N ATOM 1208 HA ASN B 103 -16.306 -20.584 5.040 1.00 0.00 H ATOM 1209 HB2 ASN B 103 -16.314 -23.329 3.774 1.00 0.00 H ATOM 1210 HB3 ASN B 103 -16.022 -22.994 5.496 1.00 0.00 H ATOM 1211 HD22 ASN B 103 -18.389 -22.263 2.864 1.00 0.00 H ATOM 1212 HD21 ASN B 103 -19.839 -22.411 3.923 1.00 0.00 H ATOM 1213 H ASN B 103 -16.302 -21.354 2.099 1.00 0.00 H ATOM 1214 N LYS B 104 -13.779 -20.457 4.791 1.00 29.63 N ATOM 1215 CA LYS B 104 -12.332 -20.416 4.676 1.00 27.92 C ATOM 1216 C LYS B 104 -11.660 -20.066 5.983 1.00 25.38 C ATOM 1217 O LYS B 104 -12.298 -19.594 6.919 1.00 21.36 O ATOM 1218 CB LYS B 104 -11.919 -19.377 3.639 1.00 31.46 C ATOM 1219 CG LYS B 104 -12.634 -19.509 2.321 1.00 39.05 C ATOM 1220 CD LYS B 104 -12.075 -18.525 1.307 1.00 48.33 C ATOM 1221 CE LYS B 104 -12.663 -17.144 1.492 1.00 51.60 C ATOM 1222 NZ LYS B 104 -11.969 -16.149 0.643 1.00 55.88 N ATOM 1223 HA LYS B 104 -12.015 -21.415 4.378 1.00 0.00 H ATOM 1224 HB2 LYS B 104 -12.127 -18.387 4.044 1.00 0.00 H ATOM 1225 HB3 LYS B 104 -10.849 -19.478 3.460 1.00 0.00 H ATOM 1226 HG2 LYS B 104 -12.506 -20.524 1.944 1.00 0.00 H ATOM 1227 HG3 LYS B 104 -13.695 -19.308 2.467 1.00 0.00 H ATOM 1228 HD2 LYS B 104 -10.993 -18.469 1.427 1.00 0.00 H ATOM 1229 HD3 LYS B 104 -12.310 -18.879 0.303 1.00 0.00 H ATOM 1230 HE2 LYS B 104 -12.563 -16.852 2.537 1.00 0.00 H ATOM 1231 HE3 LYS B 104 -13.719 -17.168 1.222 1.00 0.00 H ATOM 1232 HZ1 LYS B 104 -10.962 -16.119 0.900 1.00 0.00 H ATOM 1233 HZ2 LYS B 104 -12.065 -16.420 -0.356 1.00 0.00 H ATOM 1234 HZ3 LYS B 104 -12.394 -15.212 0.792 1.00 0.00 H ATOM 1235 H LYS B 104 -14.261 -19.813 5.450 1.00 0.00 H ATOM 1236 N HIS B 105 -10.353 -20.305 6.030 1.00 24.64 N ATOM 1237 CA HIS B 105 -9.555 -19.983 7.196 1.00 24.13 C ATOM 1238 C HIS B 105 -9.382 -18.483 7.141 1.00 26.24 C ATOM 1239 O HIS B 105 -9.087 -17.931 6.081 1.00 28.59 O ATOM 1240 CB HIS B 105 -8.181 -20.631 7.097 1.00 23.43 C ATOM 1241 CG HIS B 105 -8.214 -22.121 7.129 1.00 26.18 C ATOM 1242 ND1 HIS B 105 -8.353 -22.838 8.298 1.00 27.80 N ATOM 1243 CD2 HIS B 105 -8.158 -23.033 6.132 1.00 25.25 C ATOM 1244 CE1 HIS B 105 -8.376 -24.127 8.021 1.00 25.43 C ATOM 1245 NE2 HIS B 105 -8.261 -24.273 6.713 1.00 27.81 N ATOM 1246 HA HIS B 105 -10.028 -20.332 8.114 1.00 0.00 H ATOM 1247 HB2 HIS B 105 -7.720 -20.317 6.161 1.00 0.00 H ATOM 1248 HB3 HIS B 105 -7.575 -20.282 7.934 1.00 0.00 H ATOM 1249 HD2 HIS B 105 -8.051 -22.823 5.068 1.00 0.00 H ATOM 1250 HE1 HIS B 105 -8.473 -24.934 8.747 1.00 0.00 H ATOM 1251 H HIS B 105 -9.889 -20.736 5.205 1.00 0.00 H ATOM 1252 N ILE B 106 -9.576 -17.808 8.262 1.00 24.95 N ATOM 1253 CA ILE B 106 -9.402 -16.368 8.248 1.00 25.39 C ATOM 1254 C ILE B 106 -8.046 -16.013 8.843 1.00 23.97 C ATOM 1255 O ILE B 106 -7.489 -16.761 9.645 1.00 25.82 O ATOM 1256 CB ILE B 106 -10.529 -15.653 9.033 1.00 23.45 C ATOM 1257 CG1 ILE B 106 -10.461 -16.037 10.517 1.00 23.19 C ATOM 1258 CG2 ILE B 106 -11.885 -16.015 8.428 1.00 22.47 C ATOM 1259 CD1 ILE B 106 -10.932 -14.961 11.472 1.00 19.33 C ATOM 1260 HA ILE B 106 -9.451 -16.028 7.213 1.00 0.00 H ATOM 1261 HB ILE B 106 -10.398 -14.573 8.960 1.00 0.00 H ATOM 1262 HG12 ILE B 106 -11.081 -16.920 10.668 1.00 0.00 H ATOM 1263 HG13 ILE B 106 -9.425 -16.276 10.759 1.00 0.00 H ATOM 1264 HD11 ILE B 106 -10.315 -14.071 11.348 1.00 0.00 H ATOM 1265 HD12 ILE B 106 -11.972 -14.716 11.257 1.00 0.00 H ATOM 1266 HD13 ILE B 106 -10.847 -15.324 12.496 1.00 0.00 H ATOM 1267 HG21 ILE B 106 -11.912 -15.699 7.385 1.00 0.00 H ATOM 1268 HG22 ILE B 106 -12.031 -17.094 8.486 1.00 0.00 H ATOM 1269 HG23 ILE B 106 -12.676 -15.510 8.983 1.00 0.00 H ATOM 1270 H ILE B 106 -9.848 -18.300 9.137 1.00 0.00 H ATOM 1271 N ILE B 107 -7.504 -14.882 8.420 1.00 20.61 N ATOM 1272 CA ILE B 107 -6.223 -14.431 8.920 1.00 17.67 C ATOM 1273 C ILE B 107 -6.441 -13.003 9.385 1.00 17.82 C ATOM 1274 O ILE B 107 -6.838 -12.147 8.597 1.00 17.30 O ATOM 1275 CB ILE B 107 -5.165 -14.482 7.806 1.00 20.01 C ATOM 1276 CG1 ILE B 107 -5.018 -15.923 7.319 1.00 19.14 C ATOM 1277 CG2 ILE B 107 -3.821 -13.971 8.320 1.00 19.87 C ATOM 1278 CD1 ILE B 107 -4.530 -16.031 5.906 1.00 19.14 C ATOM 1279 HA ILE B 107 -5.862 -15.064 9.731 1.00 0.00 H ATOM 1280 HB ILE B 107 -5.485 -13.844 6.982 1.00 0.00 H ATOM 1281 HG12 ILE B 107 -4.309 -16.436 7.969 1.00 0.00 H ATOM 1282 HG13 ILE B 107 -5.990 -16.411 7.387 1.00 0.00 H ATOM 1283 HD11 ILE B 107 -5.234 -15.532 5.241 1.00 0.00 H ATOM 1284 HD12 ILE B 107 -3.552 -15.557 5.824 1.00 0.00 H ATOM 1285 HD13 ILE B 107 -4.450 -17.082 5.630 1.00 0.00 H ATOM 1286 HG21 ILE B 107 -3.931 -12.940 8.658 1.00 0.00 H ATOM 1287 HG22 ILE B 107 -3.491 -14.594 9.151 1.00 0.00 H ATOM 1288 HG23 ILE B 107 -3.086 -14.015 7.517 1.00 0.00 H ATOM 1289 H ILE B 107 -8.008 -14.307 7.715 1.00 0.00 H ATOM 1290 N VAL B 108 -6.217 -12.756 10.670 1.00 18.90 N ATOM 1291 CA VAL B 108 -6.400 -11.422 11.229 1.00 20.45 C ATOM 1292 C VAL B 108 -5.162 -10.936 11.974 1.00 19.76 C ATOM 1293 O VAL B 108 -4.379 -11.736 12.480 1.00 20.87 O ATOM 1294 CB VAL B 108 -7.612 -11.372 12.200 1.00 16.29 C ATOM 1295 CG1 VAL B 108 -8.901 -11.564 11.432 1.00 18.48 C ATOM 1296 CG2 VAL B 108 -7.480 -12.444 13.281 1.00 18.29 C ATOM 1297 HA VAL B 108 -6.584 -10.765 10.379 1.00 0.00 H ATOM 1298 HB VAL B 108 -7.628 -10.395 12.683 1.00 0.00 H ATOM 1299 HG11 VAL B 108 -9.002 -10.771 10.691 1.00 0.00 H ATOM 1300 HG12 VAL B 108 -8.883 -12.532 10.931 1.00 0.00 H ATOM 1301 HG13 VAL B 108 -9.743 -11.527 12.123 1.00 0.00 H ATOM 1302 HG21 VAL B 108 -7.442 -13.428 12.813 1.00 0.00 H ATOM 1303 HG22 VAL B 108 -6.565 -12.275 13.849 1.00 0.00 H ATOM 1304 HG23 VAL B 108 -8.339 -12.391 13.950 1.00 0.00 H ATOM 1305 H VAL B 108 -5.905 -13.530 11.291 1.00 0.00 H ATOM 1306 N ALA B 109 -4.997 -9.617 12.027 1.00 18.76 N ATOM 1307 CA ALA B 109 -3.880 -8.989 12.719 1.00 16.08 C ATOM 1308 C ALA B 109 -4.369 -8.596 14.105 1.00 18.39 C ATOM 1309 O ALA B 109 -5.364 -7.890 14.237 1.00 20.90 O ATOM 1310 CB ALA B 109 -3.428 -7.761 11.967 1.00 20.00 C ATOM 1311 HA ALA B 109 -3.036 -9.675 12.786 1.00 0.00 H ATOM 1312 HB1 ALA B 109 -3.113 -8.047 10.963 1.00 0.00 H ATOM 1313 HB2 ALA B 109 -4.253 -7.052 11.902 1.00 0.00 H ATOM 1314 HB3 ALA B 109 -2.593 -7.301 12.494 1.00 0.00 H ATOM 1315 H ALA B 109 -5.695 -9.008 11.554 1.00 0.00 H ATOM 1316 N CYS B 110 -3.665 -9.037 15.140 1.00 15.99 N ATOM 1317 CA CYS B 110 -4.078 -8.737 16.501 1.00 19.44 C ATOM 1318 C CYS B 110 -3.159 -7.779 17.259 1.00 22.43 C ATOM 1319 O CYS B 110 -1.951 -7.724 17.028 1.00 21.39 O ATOM 1320 CB CYS B 110 -4.218 -10.044 17.292 1.00 15.96 C ATOM 1321 SG CYS B 110 -5.239 -11.331 16.487 1.00 20.48 S ATOM 1322 HA CYS B 110 -5.032 -8.218 16.411 1.00 0.00 H ATOM 1323 HB2 CYS B 110 -4.668 -9.809 18.256 1.00 0.00 H ATOM 1324 HB3 CYS B 110 -3.220 -10.453 17.449 1.00 0.00 H ATOM 1325 H CYS B 110 -2.808 -9.603 14.975 1.00 0.00 H ATOM 1326 N GLU B 111 -3.752 -7.013 18.161 1.00 25.78 N ATOM 1327 CA GLU B 111 -2.999 -6.084 18.978 1.00 29.73 C ATOM 1328 C GLU B 111 -3.866 -5.544 20.098 1.00 31.62 C ATOM 1329 O GLU B 111 -5.087 -5.705 20.085 1.00 28.08 O ATOM 1330 CB GLU B 111 -2.429 -4.950 18.127 1.00 36.04 C ATOM 1331 CG GLU B 111 -3.435 -3.998 17.546 1.00 51.09 C ATOM 1332 CD GLU B 111 -2.785 -3.014 16.592 1.00 56.61 C ATOM 1333 OE1 GLU B 111 -1.947 -3.445 15.769 1.00 56.87 O ATOM 1334 OE2 GLU B 111 -3.107 -1.810 16.666 1.00 62.64 O ATOM 1335 HA GLU B 111 -2.160 -6.617 19.424 1.00 0.00 H ATOM 1336 HB2 GLU B 111 -1.745 -4.374 18.751 1.00 0.00 H ATOM 1337 HB3 GLU B 111 -1.876 -5.397 17.301 1.00 0.00 H ATOM 1338 HG2 GLU B 111 -4.191 -4.568 17.006 1.00 0.00 H ATOM 1339 HG3 GLU B 111 -3.909 -3.445 18.357 1.00 0.00 H ATOM 1340 H GLU B 111 -4.782 -7.080 18.286 1.00 0.00 H ATOM 1341 N GLY B 112 -3.210 -4.930 21.079 1.00 36.54 N ATOM 1342 CA GLY B 112 -3.900 -4.388 22.231 1.00 33.66 C ATOM 1343 C GLY B 112 -3.900 -5.360 23.396 1.00 34.47 C ATOM 1344 O GLY B 112 -3.291 -6.435 23.345 1.00 27.92 O ATOM 1345 HA3 GLY B 112 -4.931 -4.169 21.954 1.00 0.00 H ATOM 1346 HA2 GLY B 112 -3.404 -3.468 22.539 1.00 0.00 H ATOM 1347 H GLY B 112 -2.176 -4.837 21.017 1.00 0.00 H ATOM 1348 N ASN B 113 -4.582 -4.955 24.458 1.00 36.96 N ATOM 1349 CA ASN B 113 -4.730 -5.755 25.663 1.00 41.45 C ATOM 1350 C ASN B 113 -6.160 -5.474 26.136 1.00 42.71 C ATOM 1351 O ASN B 113 -6.476 -4.361 26.559 1.00 45.88 O ATOM 1352 CB ASN B 113 -3.715 -5.327 26.731 1.00 37.82 C ATOM 1353 CG ASN B 113 -3.717 -6.249 27.938 1.00 37.18 C ATOM 1354 OD1 ASN B 113 -3.600 -7.467 27.805 1.00 36.60 O ATOM 1355 ND2 ASN B 113 -3.854 -5.670 29.126 1.00 37.33 N ATOM 1356 HA ASN B 113 -4.552 -6.815 25.479 1.00 0.00 H ATOM 1357 HB2 ASN B 113 -2.719 -5.332 26.289 1.00 0.00 H ATOM 1358 HB3 ASN B 113 -3.960 -4.318 27.061 1.00 0.00 H ATOM 1359 HD22 ASN B 113 -3.950 -4.637 29.193 1.00 0.00 H ATOM 1360 HD21 ASN B 113 -3.865 -6.250 29.989 1.00 0.00 H ATOM 1361 H ASN B 113 -5.034 -4.019 24.428 1.00 0.00 H ATOM 1362 N PRO B 114 -7.049 -6.475 26.051 1.00 41.44 N ATOM 1363 CA PRO B 114 -6.790 -7.829 25.547 1.00 39.38 C ATOM 1364 C PRO B 114 -6.303 -7.845 24.102 1.00 34.89 C ATOM 1365 O PRO B 114 -6.398 -6.841 23.398 1.00 35.65 O ATOM 1366 CB PRO B 114 -8.140 -8.537 25.704 1.00 41.90 C ATOM 1367 CG PRO B 114 -9.148 -7.433 25.717 1.00 40.90 C ATOM 1368 CD PRO B 114 -8.462 -6.297 26.425 1.00 40.29 C ATOM 1369 HA PRO B 114 -5.985 -8.320 26.094 1.00 0.00 H ATOM 1370 HD3 PRO B 114 -8.840 -5.335 26.080 1.00 0.00 H ATOM 1371 HD2 PRO B 114 -8.594 -6.372 27.504 1.00 0.00 H ATOM 1372 HG3 PRO B 114 -10.045 -7.737 26.257 1.00 0.00 H ATOM 1373 HG2 PRO B 114 -9.417 -7.146 24.701 1.00 0.00 H ATOM 1374 HB2 PRO B 114 -8.320 -9.212 24.868 1.00 0.00 H ATOM 1375 HB3 PRO B 114 -8.173 -9.099 26.637 1.00 0.00 H ATOM 1376 N TYR B 115 -5.785 -8.995 23.681 1.00 31.55 N ATOM 1377 CA TYR B 115 -5.280 -9.202 22.327 1.00 26.57 C ATOM 1378 C TYR B 115 -6.460 -9.606 21.442 1.00 25.44 C ATOM 1379 O TYR B 115 -6.926 -10.748 21.506 1.00 28.79 O ATOM 1380 CB TYR B 115 -4.246 -10.317 22.342 1.00 24.40 C ATOM 1381 CG TYR B 115 -3.221 -10.258 21.246 1.00 19.53 C ATOM 1382 CD1 TYR B 115 -2.481 -9.109 21.005 1.00 22.22 C ATOM 1383 CD2 TYR B 115 -2.947 -11.383 20.486 1.00 23.38 C ATOM 1384 CE1 TYR B 115 -1.485 -9.095 20.024 1.00 25.47 C ATOM 1385 CE2 TYR B 115 -1.968 -11.385 19.517 1.00 22.57 C ATOM 1386 CZ TYR B 115 -1.239 -10.244 19.287 1.00 23.83 C ATOM 1387 OH TYR B 115 -0.265 -10.260 18.317 1.00 22.82 O ATOM 1388 HA TYR B 115 -4.815 -8.293 21.946 1.00 0.00 H ATOM 1389 HB3 TYR B 115 -4.774 -11.267 22.259 1.00 0.00 H ATOM 1390 HB2 TYR B 115 -3.721 -10.277 23.296 1.00 0.00 H ATOM 1391 HD2 TYR B 115 -3.522 -12.292 20.660 1.00 0.00 H ATOM 1392 HE2 TYR B 115 -1.773 -12.287 18.936 1.00 0.00 H ATOM 1393 HE1 TYR B 115 -0.907 -8.189 19.840 1.00 0.00 H ATOM 1394 HD1 TYR B 115 -2.678 -8.208 21.586 1.00 0.00 H ATOM 1395 HH TYR B 115 0.168 -9.371 18.271 1.00 0.00 H ATOM 1396 H TYR B 115 -5.737 -9.789 24.351 1.00 0.00 H ATOM 1397 N VAL B 116 -6.948 -8.664 20.634 1.00 23.91 N ATOM 1398 CA VAL B 116 -8.091 -8.895 19.752 1.00 18.56 C ATOM 1399 C VAL B 116 -7.797 -8.476 18.317 1.00 18.32 C ATOM 1400 O VAL B 116 -6.847 -7.732 18.067 1.00 21.50 O ATOM 1401 CB VAL B 116 -9.323 -8.107 20.230 1.00 19.75 C ATOM 1402 CG1 VAL B 116 -9.797 -8.627 21.574 1.00 16.93 C ATOM 1403 CG2 VAL B 116 -8.982 -6.629 20.319 1.00 15.88 C ATOM 1404 HA VAL B 116 -8.288 -9.967 19.784 1.00 0.00 H ATOM 1405 HB VAL B 116 -10.131 -8.241 19.511 1.00 0.00 H ATOM 1406 HG11 VAL B 116 -10.063 -9.680 21.481 1.00 0.00 H ATOM 1407 HG12 VAL B 116 -8.998 -8.516 22.307 1.00 0.00 H ATOM 1408 HG13 VAL B 116 -10.669 -8.057 21.896 1.00 0.00 H ATOM 1409 HG21 VAL B 116 -8.165 -6.488 21.027 1.00 0.00 H ATOM 1410 HG22 VAL B 116 -8.680 -6.267 19.336 1.00 0.00 H ATOM 1411 HG23 VAL B 116 -9.858 -6.075 20.658 1.00 0.00 H ATOM 1412 H VAL B 116 -6.497 -7.727 20.631 1.00 0.00 H ATOM 1413 N PRO B 117 -8.613 -8.946 17.349 1.00 19.65 N ATOM 1414 CA PRO B 117 -8.393 -8.585 15.940 1.00 20.17 C ATOM 1415 C PRO B 117 -8.655 -7.101 15.671 1.00 21.52 C ATOM 1416 O PRO B 117 -9.621 -6.535 16.177 1.00 22.14 O ATOM 1417 CB PRO B 117 -9.373 -9.480 15.164 1.00 16.49 C ATOM 1418 CG PRO B 117 -9.916 -10.469 16.157 1.00 18.05 C ATOM 1419 CD PRO B 117 -9.776 -9.834 17.510 1.00 15.27 C ATOM 1420 HA PRO B 117 -7.356 -8.739 15.640 1.00 0.00 H ATOM 1421 HD3 PRO B 117 -10.669 -9.265 17.769 1.00 0.00 H ATOM 1422 HD2 PRO B 117 -9.590 -10.586 18.277 1.00 0.00 H ATOM 1423 HG3 PRO B 117 -9.346 -11.397 16.115 1.00 0.00 H ATOM 1424 HG2 PRO B 117 -10.965 -10.679 15.946 1.00 0.00 H ATOM 1425 HB2 PRO B 117 -10.182 -8.881 14.746 1.00 0.00 H ATOM 1426 HB3 PRO B 117 -8.854 -9.999 14.359 1.00 0.00 H ATOM 1427 N VAL B 118 -7.785 -6.470 14.887 1.00 21.85 N ATOM 1428 CA VAL B 118 -7.950 -5.064 14.551 1.00 18.46 C ATOM 1429 C VAL B 118 -8.002 -4.912 13.034 1.00 21.14 C ATOM 1430 O VAL B 118 -8.487 -3.913 12.517 1.00 23.46 O ATOM 1431 CB VAL B 118 -6.799 -4.213 15.130 1.00 19.33 C ATOM 1432 CG1 VAL B 118 -6.884 -4.210 16.646 1.00 18.23 C ATOM 1433 CG2 VAL B 118 -5.456 -4.757 14.676 1.00 19.45 C ATOM 1434 HA VAL B 118 -8.882 -4.707 14.990 1.00 0.00 H ATOM 1435 HB VAL B 118 -6.893 -3.190 14.764 1.00 0.00 H ATOM 1436 HG11 VAL B 118 -7.840 -3.787 16.954 1.00 0.00 H ATOM 1437 HG12 VAL B 118 -6.802 -5.232 17.015 1.00 0.00 H ATOM 1438 HG13 VAL B 118 -6.071 -3.609 17.053 1.00 0.00 H ATOM 1439 HG21 VAL B 118 -5.346 -5.785 15.022 1.00 0.00 H ATOM 1440 HG22 VAL B 118 -5.404 -4.731 13.588 1.00 0.00 H ATOM 1441 HG23 VAL B 118 -4.657 -4.144 15.094 1.00 0.00 H ATOM 1442 H VAL B 118 -6.970 -6.992 14.506 1.00 0.00 H ATOM 1443 N HIS B 119 -7.499 -5.915 12.321 1.00 20.37 N ATOM 1444 CA HIS B 119 -7.508 -5.901 10.863 1.00 21.49 C ATOM 1445 C HIS B 119 -7.771 -7.288 10.301 1.00 23.62 C ATOM 1446 O HIS B 119 -7.418 -8.297 10.905 1.00 24.31 O ATOM 1447 CB HIS B 119 -6.167 -5.402 10.321 1.00 25.74 C ATOM 1448 CG HIS B 119 -5.943 -3.939 10.524 1.00 39.61 C ATOM 1449 ND1 HIS B 119 -6.669 -2.973 9.857 1.00 40.82 N ATOM 1450 CD2 HIS B 119 -5.089 -3.273 11.338 1.00 41.85 C ATOM 1451 CE1 HIS B 119 -6.270 -1.777 10.252 1.00 46.56 C ATOM 1452 NE2 HIS B 119 -5.313 -1.932 11.150 1.00 46.94 N ATOM 1453 HA HIS B 119 -8.308 -5.229 10.552 1.00 0.00 H ATOM 1454 HB2 HIS B 119 -5.368 -5.946 10.825 1.00 0.00 H ATOM 1455 HB3 HIS B 119 -6.129 -5.611 9.252 1.00 0.00 H ATOM 1456 HD2 HIS B 119 -4.360 -3.719 12.015 1.00 0.00 H ATOM 1457 HE1 HIS B 119 -6.663 -0.824 9.897 1.00 0.00 H ATOM 1458 H HIS B 119 -7.088 -6.732 12.817 1.00 0.00 H ATOM 1459 N PHE B 120 -8.414 -7.326 9.144 1.00 24.55 N ATOM 1460 CA PHE B 120 -8.693 -8.572 8.461 1.00 25.42 C ATOM 1461 C PHE B 120 -7.605 -8.596 7.390 1.00 29.38 C ATOM 1462 O PHE B 120 -7.441 -7.629 6.647 1.00 34.06 O ATOM 1463 CB PHE B 120 -10.084 -8.523 7.830 1.00 24.86 C ATOM 1464 CG PHE B 120 -10.579 -9.848 7.338 1.00 26.35 C ATOM 1465 CD1 PHE B 120 -10.393 -10.229 6.007 1.00 29.14 C ATOM 1466 CD2 PHE B 120 -11.237 -10.713 8.195 1.00 25.82 C ATOM 1467 CE1 PHE B 120 -10.855 -11.460 5.534 1.00 26.20 C ATOM 1468 CE2 PHE B 120 -11.704 -11.944 7.738 1.00 29.65 C ATOM 1469 CZ PHE B 120 -11.510 -12.318 6.401 1.00 28.50 C ATOM 1470 HA PHE B 120 -8.688 -9.451 9.105 1.00 0.00 H ATOM 1471 HB2 PHE B 120 -10.786 -8.151 8.576 1.00 0.00 H ATOM 1472 HB3 PHE B 120 -10.053 -7.834 6.986 1.00 0.00 H ATOM 1473 HD2 PHE B 120 -11.391 -10.429 9.236 1.00 0.00 H ATOM 1474 HE2 PHE B 120 -12.221 -12.617 8.422 1.00 0.00 H ATOM 1475 HZ PHE B 120 -11.874 -13.282 6.045 1.00 0.00 H ATOM 1476 HE1 PHE B 120 -10.701 -11.742 4.492 1.00 0.00 H ATOM 1477 HD1 PHE B 120 -9.878 -9.553 5.324 1.00 0.00 H ATOM 1478 H PHE B 120 -8.728 -6.433 8.713 1.00 0.00 H ATOM 1479 N ASP B 121 -6.839 -9.679 7.331 1.00 30.57 N ATOM 1480 CA ASP B 121 -5.755 -9.786 6.363 1.00 31.34 C ATOM 1481 C ASP B 121 -6.109 -10.591 5.115 1.00 32.88 C ATOM 1482 O ASP B 121 -5.785 -10.177 4.000 1.00 33.71 O ATOM 1483 CB ASP B 121 -4.523 -10.389 7.041 1.00 32.77 C ATOM 1484 CG ASP B 121 -3.252 -10.195 6.233 1.00 31.94 C ATOM 1485 OD1 ASP B 121 -2.551 -9.176 6.430 1.00 32.53 O ATOM 1486 OD2 ASP B 121 -2.952 -11.066 5.397 1.00 36.79 O ATOM 1487 HA ASP B 121 -5.551 -8.773 6.017 1.00 0.00 H ATOM 1488 HB2 ASP B 121 -4.393 -9.915 8.014 1.00 0.00 H ATOM 1489 HB3 ASP B 121 -4.689 -11.458 7.178 1.00 0.00 H ATOM 1490 H ASP B 121 -7.016 -10.466 7.988 1.00 0.00 H ATOM 1491 N ALA B 122 -6.770 -11.733 5.302 1.00 29.17 N ATOM 1492 CA ALA B 122 -7.160 -12.582 4.179 1.00 28.96 C ATOM 1493 C ALA B 122 -8.000 -13.780 4.614 1.00 30.40 C ATOM 1494 O ALA B 122 -8.348 -13.913 5.782 1.00 30.32 O ATOM 1495 CB ALA B 122 -5.918 -13.062 3.447 1.00 28.69 C ATOM 1496 HA ALA B 122 -7.780 -11.979 3.515 1.00 0.00 H ATOM 1497 HB1 ALA B 122 -5.362 -12.202 3.075 1.00 0.00 H ATOM 1498 HB2 ALA B 122 -5.292 -13.633 4.133 1.00 0.00 H ATOM 1499 HB3 ALA B 122 -6.213 -13.695 2.610 1.00 0.00 H ATOM 1500 H ALA B 122 -7.014 -12.026 6.270 1.00 0.00 H ATOM 1501 N SER B 123 -8.325 -14.642 3.656 1.00 35.07 N ATOM 1502 CA SER B 123 -9.104 -15.851 3.913 1.00 40.04 C ATOM 1503 C SER B 123 -8.674 -16.928 2.923 1.00 43.31 C ATOM 1504 O SER B 123 -8.777 -16.750 1.708 1.00 44.05 O ATOM 1505 CB SER B 123 -10.610 -15.590 3.768 1.00 41.24 C ATOM 1506 OG SER B 123 -10.899 -14.785 2.638 1.00 44.50 O ATOM 1507 HA SER B 123 -8.919 -16.175 4.937 1.00 0.00 H ATOM 1508 HB2 SER B 123 -10.968 -15.083 4.664 1.00 0.00 H ATOM 1509 HB3 SER B 123 -11.125 -16.545 3.662 1.00 0.00 H ATOM 1510 HG SER B 123 -10.582 -15.242 1.819 1.00 0.00 H ATOM 1511 H SER B 123 -8.012 -14.448 2.683 1.00 0.00 H ATOM 1512 N VAL B 124 -8.182 -18.046 3.443 1.00 45.39 N ATOM 1513 CA VAL B 124 -7.729 -19.127 2.582 1.00 49.57 C ATOM 1514 C VAL B 124 -8.716 -20.288 2.546 1.00 48.33 C ATOM 1515 O VAL B 124 -9.355 -20.465 1.491 1.00 53.14 O ATOM 1516 CB VAL B 124 -6.321 -19.625 3.019 1.00 51.65 C ATOM 1517 CG1 VAL B 124 -5.270 -18.603 2.606 1.00 52.95 C ATOM 1518 CG2 VAL B 124 -6.268 -19.835 4.524 1.00 53.03 C ATOM 1519 HA VAL B 124 -7.665 -18.724 1.571 1.00 0.00 H ATOM 1520 OXT VAL B 124 -8.853 -21.002 3.556 1.00 46.37 O ATOM 1521 HB VAL B 124 -6.120 -20.578 2.530 1.00 0.00 H ATOM 1522 HG11 VAL B 124 -5.292 -18.478 1.523 1.00 0.00 H ATOM 1523 HG12 VAL B 124 -5.484 -17.649 3.087 1.00 0.00 H ATOM 1524 HG13 VAL B 124 -4.284 -18.953 2.913 1.00 0.00 H ATOM 1525 HG21 VAL B 124 -6.481 -18.893 5.029 1.00 0.00 H ATOM 1526 HG22 VAL B 124 -7.010 -20.579 4.812 1.00 0.00 H ATOM 1527 HG23 VAL B 124 -5.274 -20.183 4.806 1.00 0.00 H ATOM 1528 H VAL B 124 -8.120 -18.150 4.476 1.00 0.00 H TER 1529 VAL B 124 HETATM 1530 O HOH 1 -16.351 -6.589 22.228 1.00 52.14 O HETATM 1531 O HOH 2 -8.271 -1.608 19.625 1.00 46.49 O HETATM 1532 O HOH 3 -8.079 2.829 19.648 1.00 55.18 O HETATM 1533 O HOH 4 -16.663 5.414 12.564 1.00 46.48 O HETATM 1534 O HOH 5 -6.760 -3.618 20.275 1.00 37.89 O HETATM 1535 O HOH 6 -12.182 -6.812 17.579 1.00 22.22 O HETATM 1536 O HOH 7 -17.869 -11.165 -4.429 1.00 19.88 O HETATM 1537 O HOH 8 -16.537 6.557 -3.509 1.00 27.57 O HETATM 1538 O HOH 9 -24.628 3.379 9.554 1.00 22.90 O HETATM 1539 O HOH 10 -19.526 -13.981 21.898 1.00 24.92 O HETATM 1540 O HOH 11 -10.182 -21.926 14.307 1.00 25.19 O HETATM 1541 O HOH 12 -29.065 3.069 8.368 1.00 31.80 O HETATM 1542 O HOH 13 -9.919 -1.747 12.370 1.00 29.90 O HETATM 1543 O HOH 14 -21.587 -13.266 19.284 1.00 32.53 O HETATM 1544 O HOH 15 -19.186 -19.700 15.772 1.00 27.57 O HETATM 1545 O HOH 16 -11.518 -2.967 10.325 1.00 27.14 O HETATM 1546 O HOH 17 -11.894 -20.037 16.879 1.00 16.05 O HETATM 1547 O HOH 18 -12.098 -7.348 4.029 1.00 19.65 O HETATM 1548 O HOH 19 -12.236 -23.078 15.972 1.00 32.85 O HETATM 1549 O HOH 20 -19.481 -18.439 21.504 1.00 36.18 O HETATM 1550 O HOH 21 -12.563 -5.668 21.858 1.00 32.02 O HETATM 1551 O HOH 22 -15.860 -21.448 14.184 1.00 34.02 O HETATM 1552 O HOH 23 -7.839 -4.346 22.993 1.00 30.06 O HETATM 1553 O HOH 24 -17.438 5.456 -6.590 1.00 27.02 O HETATM 1554 O HOH 25 -16.495 7.813 -7.172 1.00 45.99 O HETATM 1555 O HOH 26 -15.796 -0.238 -9.848 1.00 31.63 O HETATM 1556 O HOH 27 -24.568 -0.352 -0.395 1.00 27.73 O HETATM 1557 O HOH 28 -7.900 -1.813 5.985 1.00 62.41 O HETATM 1558 O HOH 29 -2.010 -4.525 13.066 1.00 36.99 O HETATM 1559 O HOH 30 -16.350 -23.843 12.586 1.00 37.21 O HETATM 1560 O HOH 31 -7.335 -14.751 0.219 1.00 58.69 O HETATM 1561 O HOH 32 -11.565 -2.395 0.086 1.00 29.37 O HETATM 1562 O HOH 33 -22.069 -17.313 -3.140 1.00 43.23 O HETATM 1563 O HOH 34 -13.859 0.830 -8.372 1.00 40.99 O HETATM 1564 O HOH 35 1.826 -20.759 16.369 1.00 37.52 O HETATM 1565 O HOH 36 -23.537 -13.332 -6.794 1.00 46.35 O HETATM 1566 O HOH 37 -14.322 2.253 -5.171 1.00 38.30 O HETATM 1567 O HOH 38 -8.365 -27.206 6.826 1.00 61.35 O HETATM 1568 O HOH 39 -27.779 8.481 -9.782 1.00 56.67 O HETATM 1569 N LYS A 40 -13.240 8.162 20.123 1.00 0.24 N HETATM 1570 CA LYS A 40 -14.526 7.625 19.595 1.00 0.07 C HETATM 1571 C LYS A 40 -14.430 6.119 19.339 1.00 0.23 C HETATM 1572 O LYS A 40 -14.482 5.321 20.279 1.00 -0.39 O HETATM 1573 N LYS A 40 -14.289 5.738 18.070 1.00 -0.26 N HETATM 1574 CA LYS A 40 -14.202 4.329 17.699 1.00 0.13 C HETATM 1575 C LYS A 40 -12.783 3.733 17.674 1.00 0.20 C HETATM 1576 O LYS A 40 -11.949 4.109 16.851 1.00 -0.39 O HETATM 1577 N LYS A 40 -12.514 2.799 18.582 1.00 -0.26 N HETATM 1578 CA LYS A 40 -11.216 2.136 18.643 1.00 0.16 C HETATM 1579 C LYS A 40 -11.071 1.196 17.451 1.00 0.21 C HETATM 1580 O LYS A 40 -12.046 0.916 16.754 1.00 -0.39 O HETATM 1581 N LYS A 40 -9.856 0.696 17.236 1.00 -0.26 N HETATM 1582 CA LYS A 40 -9.575 -0.208 16.123 1.00 0.13 C HETATM 1583 C LYS A 40 -10.306 -1.548 16.218 1.00 0.20 C HETATM 1584 O LYS A 40 -10.736 -2.103 15.202 1.00 -0.39 O HETATM 1585 N LYS A 40 -10.438 -2.067 17.438 1.00 -0.26 N HETATM 1586 CA LYS A 40 -11.129 -3.336 17.670 1.00 0.13 C HETATM 1587 C LYS A 40 -12.634 -3.146 17.477 1.00 0.20 C HETATM 1588 O LYS A 40 -13.323 -4.040 16.990 1.00 -0.39 O HETATM 1589 N LYS A 40 -13.140 -1.976 17.855 1.00 -0.26 N HETATM 1590 CA LYS A 40 -14.560 -1.686 17.697 1.00 0.13 C HETATM 1591 C LYS A 40 -14.878 -1.636 16.215 1.00 0.20 C HETATM 1592 O LYS A 40 -15.882 -2.188 15.758 1.00 -0.39 O HETATM 1593 N LYS A 40 -14.013 -0.959 15.467 1.00 -0.26 N HETATM 1594 CA LYS A 40 -14.193 -0.816 14.030 1.00 0.13 C HETATM 1595 C LYS A 40 -14.157 -2.147 13.283 1.00 0.20 C HETATM 1596 O LYS A 40 -14.898 -2.351 12.311 1.00 -0.39 O HETATM 1597 N LYS A 40 -13.300 -3.056 13.737 1.00 -0.26 N HETATM 1598 CA LYS A 40 -13.198 -4.362 13.107 1.00 0.14 C HETATM 1599 C LYS A 40 -14.541 -5.061 13.283 1.00 0.21 C HETATM 1600 O LYS A 40 -15.049 -5.688 12.359 1.00 -0.39 O HETATM 1601 N LYS A 40 -15.119 -4.939 14.475 1.00 -0.26 N HETATM 1602 CA LYS A 40 -16.402 -5.568 14.768 1.00 0.13 C HETATM 1603 C LYS A 40 -17.546 -5.028 13.911 1.00 0.20 C HETATM 1604 O LYS A 40 -18.373 -5.796 13.409 1.00 -0.39 O HETATM 1605 N LYS A 40 -17.588 -3.713 13.728 1.00 -0.26 N HETATM 1606 CA LYS A 40 -18.650 -3.099 12.935 1.00 0.13 C HETATM 1607 C LYS A 40 -18.509 -3.440 11.457 1.00 0.20 C HETATM 1608 O LYS A 40 -19.487 -3.651 10.752 1.00 -0.39 O HETATM 1609 N LYS A 40 -17.270 -3.515 11.004 1.00 -0.26 N HETATM 1610 CA LYS A 40 -16.980 -3.803 9.615 1.00 0.13 C HETATM 1611 C LYS A 40 -17.025 -5.264 9.188 1.00 0.20 C HETATM 1612 O LYS A 40 -17.370 -5.555 8.045 1.00 -0.39 O HETATM 1613 N LYS A 40 -16.673 -6.179 10.084 1.00 -0.26 N HETATM 1614 CA LYS A 40 -16.622 -7.582 9.704 1.00 0.14 C HETATM 1615 C LYS A 40 -17.443 -8.594 10.482 1.00 0.21 C HETATM 1616 O LYS A 40 -17.583 -9.728 10.031 1.00 -0.39 O HETATM 1617 N LYS A 40 -17.988 -8.221 11.632 1.00 -0.26 N HETATM 1618 CA LYS A 40 -18.753 -9.191 12.414 1.00 0.13 C HETATM 1619 C LYS A 40 -20.242 -9.257 12.089 1.00 0.20 C HETATM 1620 O LYS A 40 -20.933 -8.250 12.089 1.00 -0.39 O HETATM 1621 N LYS A 40 -20.726 -10.454 11.801 1.00 -0.26 N HETATM 1622 CA LYS A 40 -22.136 -10.659 11.544 1.00 0.14 C HETATM 1623 C LYS A 40 -22.461 -12.065 12.000 1.00 0.21 C HETATM 1624 O LYS A 40 -22.731 -12.944 11.188 1.00 -0.39 O HETATM 1625 N LYS A 40 -22.428 -12.262 13.313 1.00 -0.26 N HETATM 1626 CA LYS A 40 -22.708 -13.555 13.912 1.00 0.15 C HETATM 1627 C LYS A 40 -24.097 -14.060 13.524 1.00 0.20 C HETATM 1628 O LYS A 40 -24.264 -15.217 13.121 1.00 -0.39 O HETATM 1629 N LYS A 40 -25.094 -13.186 13.640 1.00 -0.30 N HETATM 1630 H118 LYS A 40 -26.027 -13.457 13.401 1.00 0.18 H HETATM 1631 H119 LYS A 40 -24.910 -12.259 13.966 1.00 0.18 H HETATM 1632 CB LYS A 40 -22.597 -13.438 15.432 1.00 0.08 C HETATM 1633 OG LYS A 40 -21.716 -12.381 15.786 1.00 -0.39 O HETATM 1634 H117 LYS A 40 -21.658 -12.322 16.732 1.00 0.21 H HETATM 1635 H115 LYS A 40 -22.211 -14.383 15.841 1.00 0.06 H HETATM 1636 H116 LYS A 40 -23.593 -13.236 15.853 1.00 0.06 H HETATM 1637 H114 LYS A 40 -21.961 -14.279 13.554 1.00 0.08 H HETATM 1638 H113 LYS A 40 -22.202 -11.492 13.911 1.00 0.19 H HETATM 1639 CB LYS A 40 -22.490 -10.511 10.069 1.00 0.04 C HETATM 1640 CG LYS A 40 -23.987 -10.637 9.823 1.00 0.04 C HETATM 1641 OD1 LYS A 40 -24.768 -10.314 10.748 1.00 -0.57 O HETATM 1642 OD2 LYS A 40 -24.392 -11.063 8.718 1.00 -0.57 O HETATM 1643 H111 LYS A 40 -21.970 -11.295 9.499 1.00 0.05 H HETATM 1644 H112 LYS A 40 -22.156 -9.522 9.722 1.00 0.05 H HETATM 1645 H110 LYS A 40 -22.722 -9.931 12.124 1.00 0.08 H HETATM 1646 H109 LYS A 40 -20.104 -11.236 11.760 1.00 0.19 H HETATM 1647 CB LYS A 40 -18.586 -8.911 13.914 1.00 -0.00 C HETATM 1648 CG LYS A 40 -17.242 -9.317 14.481 1.00 -0.00 C HETATM 1649 SD LYS A 40 -16.754 -10.970 13.933 1.00 -0.16 S HETATM 1650 CE LYS A 40 -18.060 -11.970 14.631 1.00 -0.02 C HETATM 1651 H106 LYS A 40 -17.891 -13.026 14.373 1.00 0.03 H HETATM 1652 H107 LYS A 40 -19.029 -11.644 14.225 1.00 0.03 H HETATM 1653 H108 LYS A 40 -18.064 -11.856 15.725 1.00 0.03 H HETATM 1654 H104 LYS A 40 -17.302 -9.309 15.579 1.00 0.04 H HETATM 1655 H105 LYS A 40 -16.483 -8.593 14.150 1.00 0.04 H HETATM 1656 H102 LYS A 40 -19.369 -9.462 14.456 1.00 0.03 H HETATM 1657 H103 LYS A 40 -18.717 -7.831 14.079 1.00 0.03 H HETATM 1658 H101 LYS A 40 -18.328 -10.183 12.200 1.00 0.08 H HETATM 1659 H100 LYS A 40 -17.877 -7.284 11.962 1.00 0.19 H HETATM 1660 CB LYS A 40 -15.162 -8.056 9.698 1.00 0.01 C HETATM 1661 CG LYS A 40 -14.220 -7.118 9.006 1.00 -0.00 C HETATM 1662 ND1 LYS A 40 -14.279 -6.867 7.653 1.00 -0.33 N HETATM 1663 CE1 LYS A 40 -13.326 -6.014 7.321 1.00 0.09 C HETATM 1664 NE2 LYS A 40 -12.648 -5.703 8.410 1.00 -0.28 N HETATM 1665 CD2 LYS A 40 -13.189 -6.378 9.480 1.00 0.03 C HETATM 1666 H97 LYS A 40 -12.852 -6.327 10.514 1.00 0.07 H HETATM 1667 H99 LYS A 40 -11.845 -5.060 8.452 1.00 0.24 H HETATM 1668 H98 LYS A 40 -13.133 -5.633 6.319 1.00 0.12 H HETATM 1669 H95 LYS A 40 -15.117 -9.030 9.189 1.00 0.04 H HETATM 1670 H96 LYS A 40 -14.831 -8.171 10.741 1.00 0.04 H HETATM 1671 H94 LYS A 40 -16.995 -7.623 8.670 1.00 0.08 H HETATM 1672 H93 LYS A 40 -16.444 -5.904 11.018 1.00 0.19 H HETATM 1673 CB LYS A 40 -15.597 -3.261 9.266 1.00 0.00 C HETATM 1674 CG LYS A 40 -15.514 -1.771 9.075 1.00 0.04 C HETATM 1675 CD LYS A 40 -14.247 -1.382 8.352 1.00 0.17 C HETATM 1676 OE1 LYS A 40 -13.228 -2.066 8.459 1.00 -0.40 O HETATM 1677 NE2 LYS A 40 -14.300 -0.286 7.605 1.00 -0.30 N HETATM 1678 H91 LYS A 40 -13.489 0.018 7.104 1.00 0.18 H HETATM 1679 H92 LYS A 40 -15.151 0.236 7.543 1.00 0.18 H HETATM 1680 H89 LYS A 40 -15.529 -1.282 10.060 1.00 0.05 H HETATM 1681 H90 LYS A 40 -16.380 -1.436 8.486 1.00 0.05 H HETATM 1682 H87 LYS A 40 -15.271 -3.741 8.332 1.00 0.03 H HETATM 1683 H88 LYS A 40 -14.910 -3.537 10.079 1.00 0.03 H HETATM 1684 H86 LYS A 40 -17.730 -3.267 9.015 1.00 0.08 H HETATM 1685 H85 LYS A 40 -16.511 -3.369 11.639 1.00 0.19 H HETATM 1686 CB LYS A 40 -18.624 -1.579 13.121 1.00 -0.01 C HETATM 1687 CG LYS A 40 -19.524 -0.820 12.168 1.00 -0.02 C HETATM 1688 CD LYS A 40 -19.465 0.683 12.421 1.00 0.06 C HETATM 1689 NE LYS A 40 -18.107 1.199 12.258 1.00 -0.27 N HETATM 1690 CZ LYS A 40 -17.614 1.684 11.122 1.00 0.29 C HETATM 1691 NH1 LYS A 40 -16.364 2.130 11.075 1.00 -0.28 N HETATM 1692 H81 LYS A 40 -15.984 2.505 10.194 1.00 0.26 H HETATM 1693 H82 LYS A 40 -15.775 2.101 11.919 1.00 0.26 H HETATM 1694 NH2 LYS A 40 -18.372 1.730 10.033 1.00 -0.28 N HETATM 1695 H83 LYS A 40 -19.342 1.385 10.066 1.00 0.26 H HETATM 1696 H84 LYS A 40 -17.990 2.111 9.155 1.00 0.26 H HETATM 1697 H80 LYS A 40 -17.488 1.186 13.081 1.00 0.26 H HETATM 1698 H78 LYS A 40 -19.804 0.887 13.447 1.00 0.07 H HETATM 1699 H79 LYS A 40 -20.129 1.192 11.707 1.00 0.07 H HETATM 1700 H76 LYS A 40 -20.560 -1.165 12.303 1.00 0.03 H HETATM 1701 H77 LYS A 40 -19.202 -1.022 11.136 1.00 0.03 H HETATM 1702 H74 LYS A 40 -17.591 -1.231 12.971 1.00 0.03 H HETATM 1703 H75 LYS A 40 -18.942 -1.352 14.149 1.00 0.03 H HETATM 1704 H73 LYS A 40 -19.617 -3.483 13.291 1.00 0.08 H HETATM 1705 H72 LYS A 40 -16.883 -3.135 14.139 1.00 0.19 H HETATM 1706 CB LYS A 40 -16.722 -5.399 16.250 1.00 -0.00 C HETATM 1707 CG LYS A 40 -15.839 -6.254 17.154 1.00 0.00 C HETATM 1708 CD LYS A 40 -15.932 -5.874 18.629 1.00 0.04 C HETATM 1709 OE1 LYS A 40 -16.266 -4.711 18.930 1.00 -0.57 O HETATM 1710 OE2 LYS A 40 -15.667 -6.740 19.492 1.00 -0.57 O HETATM 1711 H70 LYS A 40 -14.794 -6.139 16.830 1.00 0.04 H HETATM 1712 H71 LYS A 40 -16.143 -7.305 17.045 1.00 0.04 H HETATM 1713 H68 LYS A 40 -17.772 -5.683 16.416 1.00 0.03 H HETATM 1714 H69 LYS A 40 -16.581 -4.342 16.520 1.00 0.03 H HETATM 1715 H67 LYS A 40 -16.306 -6.643 14.555 1.00 0.08 H HETATM 1716 H66 LYS A 40 -14.664 -4.404 15.186 1.00 0.19 H HETATM 1717 CB LYS A 40 -12.087 -5.194 13.758 1.00 0.02 C HETATM 1718 CG LYS A 40 -12.025 -6.622 13.262 1.00 -0.04 C HETATM 1719 CD1 LYS A 40 -11.158 -6.981 12.241 1.00 -0.06 C HETATM 1720 CE1 LYS A 40 -11.093 -8.305 11.784 1.00 -0.07 C HETATM 1721 CZ LYS A 40 -11.906 -9.284 12.354 1.00 -0.07 C HETATM 1722 CE2 LYS A 40 -12.778 -8.945 13.374 1.00 -0.07 C HETATM 1723 CD2 LYS A 40 -12.834 -7.612 13.827 1.00 -0.06 C HETATM 1724 H62 LYS A 40 -13.516 -7.350 14.627 1.00 0.06 H HETATM 1725 H64 LYS A 40 -13.414 -9.700 13.822 1.00 0.06 H HETATM 1726 H65 LYS A 40 -11.855 -10.307 11.999 1.00 0.06 H HETATM 1727 H63 LYS A 40 -10.409 -8.568 10.985 1.00 0.06 H HETATM 1728 H61 LYS A 40 -10.522 -6.228 11.790 1.00 0.06 H HETATM 1729 H59 LYS A 40 -12.258 -5.211 14.845 1.00 0.05 H HETATM 1730 H60 LYS A 40 -11.122 -4.711 13.546 1.00 0.05 H HETATM 1731 H58 LYS A 40 -12.978 -4.240 12.036 1.00 0.08 H HETATM 1732 H57 LYS A 40 -12.719 -2.839 14.521 1.00 0.19 H HETATM 1733 CB LYS A 40 -13.126 0.109 13.474 1.00 -0.01 C HETATM 1734 CG LYS A 40 -13.318 0.433 12.014 1.00 -0.04 C HETATM 1735 CD LYS A 40 -12.176 1.291 11.541 1.00 -0.01 C HETATM 1736 CE LYS A 40 -11.964 1.168 10.062 1.00 -0.04 C HETATM 1737 NZ LYS A 40 -11.595 2.497 9.497 1.00 0.22 N HETATM 1738 H54 LYS A 40 -11.453 2.412 8.503 1.00 0.20 H HETATM 1739 H55 LYS A 40 -10.745 2.822 9.931 1.00 0.20 H HETATM 1740 H56 LYS A 40 -12.337 3.156 9.675 1.00 0.20 H HETATM 1741 H52 LYS A 40 -12.891 0.813 9.588 1.00 0.08 H HETATM 1742 H53 LYS A 40 -11.154 0.450 9.867 1.00 0.08 H HETATM 1743 H50 LYS A 40 -11.258 0.979 12.060 1.00 0.03 H HETATM 1744 H51 LYS A 40 -12.395 2.341 11.783 1.00 0.03 H HETATM 1745 H48 LYS A 40 -14.265 0.975 11.879 1.00 0.03 H HETATM 1746 H49 LYS A 40 -13.343 -0.499 11.431 1.00 0.03 H HETATM 1747 H46 LYS A 40 -12.146 -0.374 13.598 1.00 0.03 H HETATM 1748 H47 LYS A 40 -13.146 1.049 14.046 1.00 0.03 H HETATM 1749 H45 LYS A 40 -15.178 -0.359 13.857 1.00 0.08 H HETATM 1750 H44 LYS A 40 -13.218 -0.537 15.903 1.00 0.19 H HETATM 1751 CB LYS A 40 -14.905 -0.347 18.333 1.00 -0.02 C HETATM 1752 H41 LYS A 40 -15.979 -0.146 18.204 1.00 0.03 H HETATM 1753 H42 LYS A 40 -14.322 0.450 17.849 1.00 0.03 H HETATM 1754 H43 LYS A 40 -14.664 -0.378 19.406 1.00 0.03 H HETATM 1755 H40 LYS A 40 -15.152 -2.479 18.177 1.00 0.08 H HETATM 1756 H39 LYS A 40 -12.537 -1.285 18.254 1.00 0.19 H HETATM 1757 CB LYS A 40 -10.843 -3.850 19.084 1.00 -0.02 C HETATM 1758 H36 LYS A 40 -11.369 -4.803 19.241 1.00 0.03 H HETATM 1759 H37 LYS A 40 -11.194 -3.112 19.820 1.00 0.03 H HETATM 1760 H38 LYS A 40 -9.761 -4.004 19.206 1.00 0.03 H HETATM 1761 H35 LYS A 40 -10.766 -4.077 16.943 1.00 0.08 H HETATM 1762 H34 LYS A 40 -10.053 -1.575 18.219 1.00 0.19 H HETATM 1763 CB LYS A 40 -8.087 -0.434 16.030 1.00 -0.02 C HETATM 1764 H31 LYS A 40 -7.871 -1.114 15.193 1.00 0.03 H HETATM 1765 H32 LYS A 40 -7.724 -0.880 16.968 1.00 0.03 H HETATM 1766 H33 LYS A 40 -7.580 0.527 15.861 1.00 0.03 H HETATM 1767 H30 LYS A 40 -9.909 0.286 15.199 1.00 0.08 H HETATM 1768 H29 LYS A 40 -9.112 0.947 17.856 1.00 0.19 H HETATM 1769 CB LYS A 40 -11.072 1.299 19.906 1.00 0.09 C HETATM 1770 OG1 LYS A 40 -11.913 0.144 19.807 1.00 -0.39 O HETATM 1771 H25 LYS A 40 -11.824 -0.380 20.595 1.00 0.21 H HETATM 1772 CG2 LYS A 40 -11.465 2.107 21.124 1.00 -0.03 C HETATM 1773 H26 LYS A 40 -11.355 1.487 22.026 1.00 0.03 H HETATM 1774 H27 LYS A 40 -12.512 2.431 21.027 1.00 0.03 H HETATM 1775 H28 LYS A 40 -10.814 2.990 21.204 1.00 0.03 H HETATM 1776 H24 LYS A 40 -10.025 0.979 20.009 1.00 0.06 H HETATM 1777 H23 LYS A 40 -10.423 2.898 18.617 1.00 0.08 H HETATM 1778 H22 LYS A 40 -13.221 2.544 19.241 1.00 0.19 H HETATM 1779 CB LYS A 40 -14.875 4.121 16.336 1.00 -0.00 C HETATM 1780 CG LYS A 40 -15.298 2.683 16.099 1.00 0.00 C HETATM 1781 CD LYS A 40 -15.923 2.445 14.733 1.00 0.04 C HETATM 1782 OE1 LYS A 40 -15.416 2.998 13.730 1.00 -0.57 O HETATM 1783 OE2 LYS A 40 -16.922 1.691 14.676 1.00 -0.57 O HETATM 1784 H20 LYS A 40 -16.032 2.406 16.870 1.00 0.04 H HETATM 1785 H21 LYS A 40 -14.410 2.041 16.191 1.00 0.04 H HETATM 1786 H18 LYS A 40 -14.167 4.413 15.547 1.00 0.03 H HETATM 1787 H19 LYS A 40 -15.767 4.762 16.284 1.00 0.03 H HETATM 1788 H17 LYS A 40 -14.772 3.764 18.451 1.00 0.08 H HETATM 1789 H16 LYS A 40 -14.242 6.435 17.354 1.00 0.19 H HETATM 1790 CB LYS A 40 -14.911 8.358 18.304 1.00 0.01 C HETATM 1791 CG LYS A 40 -16.360 8.849 18.249 1.00 -0.04 C HETATM 1792 CD LYS A 40 -16.536 9.982 17.230 1.00 -0.01 C HETATM 1793 CE LYS A 40 -16.779 9.438 15.819 1.00 -0.04 C HETATM 1794 NZ LYS A 40 -17.123 10.521 14.843 1.00 0.22 N HETATM 1795 H13 LYS A 40 -17.273 10.117 13.932 1.00 0.20 H HETATM 1796 H14 LYS A 40 -16.365 11.184 14.796 1.00 0.20 H HETATM 1797 H15 LYS A 40 -17.962 10.991 15.145 1.00 0.20 H HETATM 1798 H11 LYS A 40 -17.610 8.718 15.856 1.00 0.08 H HETATM 1799 H12 LYS A 40 -15.867 8.928 15.475 1.00 0.08 H HETATM 1800 H9 LYS A 40 -15.626 10.600 17.223 1.00 0.03 H HETATM 1801 H10 LYS A 40 -17.396 10.600 17.528 1.00 0.03 H HETATM 1802 H7 LYS A 40 -16.650 9.216 19.244 1.00 0.03 H HETATM 1803 H8 LYS A 40 -17.011 8.009 17.964 1.00 0.03 H HETATM 1804 H5 LYS A 40 -14.751 7.671 17.460 1.00 0.03 H HETATM 1805 H6 LYS A 40 -14.250 9.231 18.197 1.00 0.03 H HETATM 1806 H4 LYS A 40 -15.311 7.800 20.346 1.00 0.11 H HETATM 1807 H1 LYS A 40 -13.330 9.153 20.283 1.00 0.20 H HETATM 1808 H2 LYS A 40 -12.506 7.995 19.453 1.00 0.20 H HETATM 1809 H3 LYS A 40 -13.014 7.701 20.991 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 1569 1570 1807 1808 1809 CONECT 1570 1569 1571 1790 1806 CONECT 1571 1570 1572 1573 CONECT 1572 1571 CONECT 1573 1571 1574 1789 CONECT 1574 1573 1575 1779 1788 CONECT 1575 1574 1576 1577 CONECT 1576 1575 CONECT 1577 1575 1578 1778 CONECT 1578 1577 1579 1769 1777 CONECT 1579 1578 1580 1581 CONECT 1580 1579 CONECT 1581 1579 1582 1768 CONECT 1582 1581 1583 1763 1767 CONECT 1583 1582 1584 1585 CONECT 1584 1583 CONECT 1585 1583 1586 1762 CONECT 1586 1585 1587 1757 1761 CONECT 1587 1586 1588 1589 CONECT 1588 1587 CONECT 1589 1587 1590 1756 CONECT 1590 1589 1591 1751 1755 CONECT 1591 1590 1592 1593 CONECT 1592 1591 CONECT 1593 1591 1594 1750 CONECT 1594 1593 1595 1733 1749 CONECT 1595 1594 1596 1597 CONECT 1596 1595 CONECT 1597 1595 1598 1732 CONECT 1598 1597 1599 1717 1731 CONECT 1599 1598 1600 1601 CONECT 1600 1599 CONECT 1601 1599 1602 1716 CONECT 1602 1601 1603 1706 1715 CONECT 1603 1602 1604 1605 CONECT 1604 1603 CONECT 1605 1603 1606 1705 CONECT 1606 1605 1607 1686 1704 CONECT 1607 1606 1608 1609 CONECT 1608 1607 CONECT 1609 1607 1610 1685 CONECT 1610 1609 1611 1673 1684 CONECT 1611 1610 1612 1613 CONECT 1612 1611 CONECT 1613 1611 1614 1672 CONECT 1614 1613 1615 1660 1671 CONECT 1615 1614 1616 1617 CONECT 1616 1615 CONECT 1617 1615 1618 1659 CONECT 1618 1617 1619 1647 1658 CONECT 1619 1618 1620 1621 CONECT 1620 1619 CONECT 1621 1619 1622 1646 CONECT 1622 1621 1623 1639 1645 CONECT 1623 1622 1624 1625 CONECT 1624 1623 CONECT 1625 1623 1626 1638 CONECT 1626 1625 1627 1632 1637 CONECT 1627 1626 1628 1629 CONECT 1628 1627 CONECT 1629 1627 1630 1631 CONECT 1630 1629 CONECT 1631 1629 CONECT 1632 1626 1633 1635 1636 CONECT 1633 1632 1634 CONECT 1634 1633 CONECT 1635 1632 CONECT 1636 1632 CONECT 1637 1626 CONECT 1638 1625 CONECT 1639 1622 1640 1643 1644 CONECT 1640 1639 1641 1642 CONECT 1641 1640 CONECT 1642 1640 CONECT 1643 1639 CONECT 1644 1639 CONECT 1645 1622 CONECT 1646 1621 CONECT 1647 1618 1648 1656 1657 CONECT 1648 1647 1649 1654 1655 CONECT 1649 1648 1650 CONECT 1650 1649 1651 1652 1653 CONECT 1651 1650 CONECT 1652 1650 CONECT 1653 1650 CONECT 1654 1648 CONECT 1655 1648 CONECT 1656 1647 CONECT 1657 1647 CONECT 1658 1618 CONECT 1659 1617 CONECT 1660 1614 1661 1669 1670 CONECT 1661 1660 1662 1665 CONECT 1662 1661 1663 CONECT 1663 1662 1664 1668 CONECT 1664 1663 1665 1667 CONECT 1665 1661 1664 1666 CONECT 1666 1665 CONECT 1667 1664 CONECT 1668 1663 CONECT 1669 1660 CONECT 1670 1660 CONECT 1671 1614 CONECT 1672 1613 CONECT 1673 1610 1674 1682 1683 CONECT 1674 1673 1675 1680 1681 CONECT 1675 1674 1676 1677 CONECT 1676 1675 CONECT 1677 1675 1678 1679 CONECT 1678 1677 CONECT 1679 1677 CONECT 1680 1674 CONECT 1681 1674 CONECT 1682 1673 CONECT 1683 1673 CONECT 1684 1610 CONECT 1685 1609 CONECT 1686 1606 1687 1702 1703 CONECT 1687 1686 1688 1700 1701 CONECT 1688 1687 1689 1698 1699 CONECT 1689 1688 1690 1697 CONECT 1690 1689 1691 1694 CONECT 1691 1690 1692 1693 CONECT 1692 1691 CONECT 1693 1691 CONECT 1694 1690 1695 1696 CONECT 1695 1694 CONECT 1696 1694 CONECT 1697 1689 CONECT 1698 1688 CONECT 1699 1688 CONECT 1700 1687 CONECT 1701 1687 CONECT 1702 1686 CONECT 1703 1686 CONECT 1704 1606 CONECT 1705 1605 CONECT 1706 1602 1707 1713 1714 CONECT 1707 1706 1708 1711 1712 CONECT 1708 1707 1709 1710 CONECT 1709 1708 CONECT 1710 1708 CONECT 1711 1707 CONECT 1712 1707 CONECT 1713 1706 CONECT 1714 1706 CONECT 1715 1602 CONECT 1716 1601 CONECT 1717 1598 1718 1729 1730 CONECT 1718 1717 1719 1723 CONECT 1719 1718 1720 1728 CONECT 1720 1719 1721 1727 CONECT 1721 1720 1722 1726 CONECT 1722 1721 1723 1725 CONECT 1723 1718 1722 1724 CONECT 1724 1723 CONECT 1725 1722 CONECT 1726 1721 CONECT 1727 1720 CONECT 1728 1719 CONECT 1729 1717 CONECT 1730 1717 CONECT 1731 1598 CONECT 1732 1597 CONECT 1733 1594 1734 1747 1748 CONECT 1734 1733 1735 1745 1746 CONECT 1735 1734 1736 1743 1744 CONECT 1736 1735 1737 1741 1742 CONECT 1737 1736 1738 1739 1740 CONECT 1738 1737 CONECT 1739 1737 CONECT 1740 1737 CONECT 1741 1736 CONECT 1742 1736 CONECT 1743 1735 CONECT 1744 1735 CONECT 1745 1734 CONECT 1746 1734 CONECT 1747 1733 CONECT 1748 1733 CONECT 1749 1594 CONECT 1750 1593 CONECT 1751 1590 1752 1753 1754 CONECT 1752 1751 CONECT 1753 1751 CONECT 1754 1751 CONECT 1755 1590 CONECT 1756 1589 CONECT 1757 1586 1758 1759 1760 CONECT 1758 1757 CONECT 1759 1757 CONECT 1760 1757 CONECT 1761 1586 CONECT 1762 1585 CONECT 1763 1582 1764 1765 1766 CONECT 1764 1763 CONECT 1765 1763 CONECT 1766 1763 CONECT 1767 1582 CONECT 1768 1581 CONECT 1769 1578 1770 1772 1776 CONECT 1770 1769 1771 CONECT 1771 1770 CONECT 1772 1769 1773 1774 1775 CONECT 1773 1772 CONECT 1774 1772 CONECT 1775 1772 CONECT 1776 1769 CONECT 1777 1578 CONECT 1778 1577 CONECT 1779 1574 1780 1786 1787 CONECT 1780 1779 1781 1784 1785 CONECT 1781 1780 1782 1783 CONECT 1782 1781 CONECT 1783 1781 CONECT 1784 1780 CONECT 1785 1780 CONECT 1786 1779 CONECT 1787 1779 CONECT 1788 1574 CONECT 1789 1573 CONECT 1790 1570 1791 1804 1805 CONECT 1791 1790 1792 1802 1803 CONECT 1792 1791 1793 1800 1801 CONECT 1793 1792 1794 1798 1799 CONECT 1794 1793 1795 1796 1797 CONECT 1795 1794 CONECT 1796 1794 CONECT 1797 1794 CONECT 1798 1793 CONECT 1799 1793 CONECT 1800 1792 CONECT 1801 1792 CONECT 1802 1791 CONECT 1803 1791 CONECT 1804 1790 CONECT 1805 1790 CONECT 1806 1570 CONECT 1807 1569 CONECT 1808 1569 CONECT 1809 1569 MASTER 0 0 0 0 0 0 0 0 1808 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: 1j81
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%
1j80
RCSB PDB
PDBbind
104aa, >1J80_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
1j80
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
1j81
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
2.2(Å)
Affinity (Kd/Ki/IC50)
Kd=0.08uM
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
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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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