Browse entries in the PDBbind-CN Database
HEADER 4O37_COMPLEX COMPND 4O37_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 102 SER ASN TYR CYS ASN GLN MET MET LYS SER ARG ASN LEU SEQRES 2 B 102 THR LYS ASP ARG CYS LYS PRO VAL ASN THR PHE VAL HIS SEQRES 3 B 102 GLU SER LEU ALA ASP VAL GLN ALA VAL CYS SER GLN LYS SEQRES 4 B 102 ASN VAL ALA CYS LYS ASN GLY GLN THR ASN CYS TYR GLN SEQRES 5 B 102 SER TYR SER THR MET SER ILE THR ASP CYS ARG GLU THR SEQRES 6 B 102 GLY SER SER LYS TYR PRO ASN CYS ALA TYR LYS THR THR SEQRES 7 B 102 GLN ALA ASN LYS HIS ILE ILE VAL ALA CYS GLU GLY ASN SEQRES 8 B 102 PRO TYR VAL PRO VAL HIS PHE ASP ALA SER VAL HET LYS A 242 240 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 SER B 23 -32.089 -5.137 -1.842 1.00 29.96 N ATOM 2 CA SER B 23 -30.807 -5.349 -2.597 1.00 25.76 C ATOM 3 C SER B 23 -29.908 -6.464 -1.998 1.00 22.82 C ATOM 4 O SER B 23 -30.246 -7.136 -0.980 1.00 20.96 O ATOM 5 CB SER B 23 -30.002 -4.061 -2.715 1.00 35.86 C ATOM 6 OG SER B 23 -29.498 -3.742 -1.440 1.00 39.80 O ATOM 7 HG SER B 23 -28.970 -2.906 -1.495 1.00 0.00 H ATOM 8 HN3 SER B 23 -31.872 -4.867 -0.861 1.00 0.00 H ATOM 9 HN2 SER B 23 -32.642 -6.018 -1.846 1.00 0.00 H ATOM 10 HN1 SER B 23 -32.637 -4.380 -2.298 1.00 0.00 H ATOM 11 N ASN B 24 -28.796 -6.718 -2.680 1.00 18.25 N ATOM 12 CA ASN B 24 -27.961 -7.851 -2.202 1.00 14.83 C ATOM 13 C ASN B 24 -27.324 -7.563 -0.839 1.00 14.01 C ATOM 14 O ASN B 24 -27.283 -6.424 -0.385 1.00 14.00 O ATOM 15 CB ASN B 24 -26.897 -8.249 -3.231 1.00 15.57 C ATOM 16 CG ASN B 24 -25.806 -7.199 -3.332 1.00 15.72 C ATOM 17 OD1 ASN B 24 -24.958 -7.052 -2.443 1.00 14.06 O ATOM 18 ND2 ASN B 24 -25.837 -6.381 -4.396 1.00 17.73 N ATOM 19 HD22 ASN B 24 -26.556 -6.517 -5.135 1.00 0.00 H ATOM 20 HD21 ASN B 24 -25.142 -5.612 -4.481 1.00 0.00 H ATOM 21 H ASN B 24 -28.523 -6.151 -3.508 1.00 0.00 H ATOM 22 N TYR B 25 -26.947 -8.651 -0.165 1.00 12.35 N ATOM 23 CA TYR B 25 -26.389 -8.576 1.174 1.00 11.76 C ATOM 24 C TYR B 25 -25.239 -7.573 1.299 1.00 10.99 C ATOM 25 O TYR B 25 -25.178 -6.816 2.264 1.00 12.29 O ATOM 26 CB TYR B 25 -25.996 -9.989 1.637 1.00 12.09 C ATOM 27 CG TYR B 25 -25.121 -9.982 2.928 1.00 11.81 C ATOM 28 CD1 TYR B 25 -25.715 -10.002 4.193 1.00 12.65 C ATOM 29 CD2 TYR B 25 -23.765 -9.909 2.833 1.00 11.26 C ATOM 30 CE1 TYR B 25 -24.914 -9.943 5.348 1.00 11.78 C ATOM 31 CE2 TYR B 25 -22.948 -9.900 3.985 1.00 13.23 C ATOM 32 CZ TYR B 25 -23.549 -9.924 5.215 1.00 13.24 C ATOM 33 OH TYR B 25 -22.696 -9.889 6.318 1.00 12.49 O ATOM 34 HH TYR B 25 -23.233 -9.911 7.150 1.00 0.00 H ATOM 35 H TYR B 25 -27.056 -9.583 -0.613 1.00 0.00 H ATOM 36 N CYS B 26 -24.303 -7.581 0.355 1.00 10.81 N ATOM 37 CA CYS B 26 -23.196 -6.698 0.382 1.00 11.63 C ATOM 38 C CYS B 26 -23.638 -5.260 0.350 1.00 11.84 C ATOM 39 O CYS B 26 -23.195 -4.444 1.163 1.00 12.17 O ATOM 40 CB CYS B 26 -22.159 -7.061 -0.680 1.00 11.54 C ATOM 41 SG CYS B 26 -21.221 -8.541 -0.272 1.00 11.28 S ATOM 42 H CYS B 26 -24.386 -8.258 -0.430 1.00 0.00 H ATOM 43 N ASN B 27 -24.479 -4.906 -0.635 1.00 12.19 N ATOM 44 CA ASN B 27 -24.888 -3.501 -0.754 1.00 12.96 C ATOM 45 C ASN B 27 -25.573 -3.089 0.562 1.00 12.90 C ATOM 46 O ASN B 27 -25.299 -1.992 1.088 1.00 13.01 O ATOM 47 CB ASN B 27 -25.922 -3.342 -1.915 1.00 13.50 C ATOM 48 CG ASN B 27 -25.294 -3.262 -3.301 1.00 17.04 C ATOM 49 OD1 ASN B 27 -24.262 -3.819 -3.578 1.00 15.71 O ATOM 50 ND2 ASN B 27 -26.108 -2.738 -4.289 1.00 23.34 N ATOM 51 HD22 ASN B 27 -26.995 -2.260 -4.032 1.00 0.00 H ATOM 52 HD21 ASN B 27 -25.833 -2.822 -5.288 1.00 0.00 H ATOM 53 H ASN B 27 -24.836 -5.617 -1.305 1.00 0.00 H ATOM 54 N GLN B 28 -26.455 -3.937 1.056 1.00 12.46 N ATOM 55 CA GLN B 28 -27.194 -3.568 2.261 1.00 14.46 C ATOM 56 C GLN B 28 -26.308 -3.441 3.489 1.00 13.76 C ATOM 57 O GLN B 28 -26.424 -2.435 4.261 1.00 15.68 O ATOM 58 CB GLN B 28 -28.245 -4.626 2.518 1.00 15.19 C ATOM 59 CG GLN B 28 -29.140 -4.275 3.736 1.00 19.65 C ATOM 60 CD GLN B 28 -30.522 -4.852 3.589 1.00 28.45 C ATOM 61 OE1 GLN B 28 -30.785 -5.613 2.662 1.00 31.40 O ATOM 62 NE2 GLN B 28 -31.442 -4.455 4.478 1.00 27.21 N ATOM 63 HE22 GLN B 28 -31.176 -3.809 5.248 1.00 0.00 H ATOM 64 HE21 GLN B 28 -32.422 -4.793 4.398 1.00 0.00 H ATOM 65 H GLN B 28 -26.622 -4.854 0.595 1.00 0.00 H ATOM 66 N MET B 29 -25.444 -4.447 3.730 1.00 12.74 N ATOM 67 CA MET B 29 -24.696 -4.432 4.956 1.00 11.92 C ATOM 68 C MET B 29 -23.579 -3.393 4.883 1.00 12.47 C ATOM 69 O MET B 29 -23.245 -2.741 5.933 1.00 12.66 O ATOM 70 CB MET B 29 -24.282 -5.908 5.274 1.00 11.01 C ATOM 71 CG MET B 29 -23.621 -6.098 6.617 1.00 11.12 C ATOM 72 SD MET B 29 -24.704 -5.829 8.028 1.00 10.78 S ATOM 73 CE MET B 29 -25.539 -7.456 8.073 1.00 11.72 C ATOM 74 H MET B 29 -25.322 -5.218 3.043 1.00 0.00 H ATOM 75 N MET B 30 -22.979 -3.217 3.694 1.00 11.23 N ATOM 76 CA MET B 30 -21.954 -2.154 3.485 1.00 11.47 C ATOM 77 C MET B 30 -22.521 -0.771 3.905 1.00 13.02 C ATOM 78 O MET B 30 -21.819 0.049 4.547 1.00 13.17 O ATOM 79 CB MET B 30 -21.410 -2.131 2.034 1.00 10.39 C ATOM 80 CG MET B 30 -20.525 -3.331 1.629 1.00 9.36 C ATOM 81 SD MET B 30 -18.946 -3.560 2.527 1.00 9.49 S ATOM 82 CE MET B 30 -17.912 -2.425 1.504 1.00 8.66 C ATOM 83 H MET B 30 -23.236 -3.837 2.900 1.00 0.00 H ATOM 84 N LYS B 31 -23.768 -0.531 3.531 1.00 12.62 N ATOM 85 CA LYS B 31 -24.306 0.782 3.814 1.00 15.57 C ATOM 86 C LYS B 31 -24.710 0.815 5.269 1.00 13.39 C ATOM 87 O LYS B 31 -24.374 1.791 5.962 1.00 13.97 O ATOM 88 CB LYS B 31 -25.540 0.975 2.923 1.00 17.57 C ATOM 89 CG LYS B 31 -25.861 2.467 2.762 1.00 26.90 C ATOM 90 CD LYS B 31 -27.160 2.786 1.982 1.00 32.68 C ATOM 91 CE LYS B 31 -27.401 4.327 1.949 1.00 39.76 C ATOM 92 NZ LYS B 31 -28.763 4.785 1.476 1.00 45.02 N ATOM 93 HZ1 LYS B 31 -28.922 4.450 0.504 1.00 0.00 H ATOM 94 HZ2 LYS B 31 -29.496 4.395 2.103 1.00 0.00 H ATOM 95 HZ3 LYS B 31 -28.805 5.824 1.497 1.00 0.00 H ATOM 96 H LYS B 31 -24.338 -1.257 3.053 1.00 0.00 H ATOM 97 N SER B 32 -25.423 -0.223 5.761 1.00 13.59 N ATOM 98 CA SER B 32 -25.844 -0.188 7.136 1.00 13.59 C ATOM 99 C SER B 32 -24.692 -0.047 8.143 1.00 13.82 C ATOM 100 O SER B 32 -24.847 0.646 9.210 1.00 14.73 O ATOM 101 CB SER B 32 -26.708 -1.387 7.416 1.00 12.75 C ATOM 102 OG SER B 32 -27.850 -1.307 6.606 1.00 11.12 O ATOM 103 HG SER B 32 -27.578 -1.299 5.654 1.00 0.00 H ATOM 104 H SER B 32 -25.663 -1.034 5.155 1.00 0.00 H ATOM 105 N ARG B 33 -23.530 -0.641 7.866 1.00 13.55 N ATOM 106 CA ARG B 33 -22.424 -0.578 8.775 1.00 12.73 C ATOM 107 C ARG B 33 -21.587 0.673 8.655 1.00 12.46 C ATOM 108 O ARG B 33 -20.481 0.770 9.249 1.00 15.48 O ATOM 109 CB ARG B 33 -21.543 -1.869 8.645 1.00 12.08 C ATOM 110 CG ARG B 33 -22.264 -3.117 9.183 1.00 11.55 C ATOM 111 CD ARG B 33 -22.583 -3.059 10.699 1.00 12.28 C ATOM 112 NE ARG B 33 -23.113 -4.303 11.174 1.00 10.99 N ATOM 113 CZ ARG B 33 -22.305 -5.363 11.413 1.00 10.05 C ATOM 114 NH1 ARG B 33 -20.998 -5.201 11.374 1.00 12.03 N ATOM 115 NH2 ARG B 33 -22.891 -6.486 11.811 1.00 11.61 N ATOM 116 HE ARG B 33 -24.136 -4.393 11.338 1.00 0.00 H ATOM 117 HH12 ARG B 33 -20.368 -6.008 11.556 1.00 0.00 H ATOM 118 HH11 ARG B 33 -20.596 -4.266 11.161 1.00 0.00 H ATOM 119 HH22 ARG B 33 -22.317 -7.330 12.008 1.00 0.00 H ATOM 120 HH21 ARG B 33 -23.924 -6.521 11.925 1.00 0.00 H ATOM 121 H ARG B 33 -23.425 -1.161 6.971 1.00 0.00 H ATOM 122 N ASN B 34 -22.046 1.627 7.805 1.00 14.44 N ATOM 123 CA ASN B 34 -21.286 2.847 7.559 1.00 13.61 C ATOM 124 C ASN B 34 -19.933 2.614 6.904 1.00 13.17 C ATOM 125 O ASN B 34 -18.914 3.256 7.264 1.00 13.89 O ATOM 126 CB ASN B 34 -21.186 3.691 8.874 1.00 12.82 C ATOM 127 CG ASN B 34 -20.580 5.067 8.612 1.00 14.53 C ATOM 128 OD1 ASN B 34 -20.849 5.678 7.548 1.00 16.29 O ATOM 129 ND2 ASN B 34 -19.744 5.572 9.584 1.00 14.16 N ATOM 130 HD22 ASN B 34 -19.557 5.021 10.446 1.00 0.00 H ATOM 131 HD21 ASN B 34 -19.300 6.504 9.455 1.00 0.00 H ATOM 132 H ASN B 34 -22.955 1.485 7.321 1.00 0.00 H ATOM 133 N LEU B 35 -19.945 1.698 5.909 1.00 11.79 N ATOM 134 CA LEU B 35 -18.830 1.652 5.024 1.00 14.32 C ATOM 135 C LEU B 35 -19.048 2.387 3.745 1.00 12.69 C ATOM 136 O LEU B 35 -18.029 2.911 3.213 1.00 16.12 O ATOM 137 CB LEU B 35 -18.406 0.171 4.709 1.00 14.65 C ATOM 138 CG LEU B 35 -17.668 -0.578 5.850 1.00 17.42 C ATOM 139 CD1 LEU B 35 -18.588 -0.826 7.002 1.00 21.08 C ATOM 140 CD2 LEU B 35 -17.096 -1.886 5.280 1.00 21.34 C ATOM 141 H LEU B 35 -20.746 1.045 5.793 1.00 0.00 H ATOM 142 N THR B 36 -20.300 2.409 3.267 1.00 12.59 N ATOM 143 CA THR B 36 -20.609 3.001 1.988 1.00 12.71 C ATOM 144 C THR B 36 -21.630 4.148 2.034 1.00 13.07 C ATOM 145 O THR B 36 -22.144 4.548 1.018 1.00 14.63 O ATOM 146 CB THR B 36 -20.989 1.923 0.969 1.00 14.42 C ATOM 147 OG1 THR B 36 -22.086 1.219 1.502 1.00 16.23 O ATOM 148 CG2 THR B 36 -19.746 0.950 0.759 1.00 16.74 C ATOM 149 HG1 THR B 36 -22.361 0.510 0.868 1.00 0.00 H ATOM 150 H THR B 36 -21.067 1.990 3.831 1.00 0.00 H ATOM 151 N LYS B 37 -21.951 4.624 3.243 1.00 12.28 N ATOM 152 CA LYS B 37 -22.762 5.839 3.316 1.00 13.24 C ATOM 153 C LYS B 37 -22.019 7.032 2.776 1.00 13.93 C ATOM 154 O LYS B 37 -22.712 7.925 2.205 1.00 15.21 O ATOM 155 CB LYS B 37 -23.189 6.096 4.727 1.00 12.21 C ATOM 156 CG LYS B 37 -24.288 5.088 5.094 1.00 13.02 C ATOM 157 CD LYS B 37 -24.857 5.424 6.455 1.00 13.52 C ATOM 158 CE LYS B 37 -26.132 4.561 6.634 1.00 13.49 C ATOM 159 NZ LYS B 37 -26.655 4.734 8.052 1.00 15.40 N ATOM 160 HZ1 LYS B 37 -25.927 4.428 8.729 1.00 0.00 H ATOM 161 HZ2 LYS B 37 -26.884 5.735 8.216 1.00 0.00 H ATOM 162 HZ3 LYS B 37 -27.511 4.157 8.177 1.00 0.00 H ATOM 163 H LYS B 37 -21.632 4.143 4.108 1.00 0.00 H ATOM 164 N ASP B 38 -20.690 7.105 2.902 1.00 13.66 N ATOM 165 CA ASP B 38 -19.931 8.323 2.520 1.00 14.19 C ATOM 166 C ASP B 38 -18.847 8.033 1.446 1.00 13.67 C ATOM 167 O ASP B 38 -18.049 8.899 1.201 1.00 15.20 O ATOM 168 CB ASP B 38 -19.306 8.922 3.802 1.00 17.92 C ATOM 169 CG ASP B 38 -18.178 8.050 4.407 1.00 20.47 C ATOM 170 OD1 ASP B 38 -17.932 6.931 3.952 1.00 23.49 O ATOM 171 OD2 ASP B 38 -17.516 8.530 5.383 1.00 25.68 O ATOM 172 H ASP B 38 -20.173 6.285 3.278 1.00 0.00 H ATOM 173 N ARG B 39 -18.857 6.807 0.850 1.00 11.98 N ATOM 174 CA ARG B 39 -17.836 6.416 -0.170 1.00 13.21 C ATOM 175 C ARG B 39 -18.183 5.031 -0.635 1.00 12.38 C ATOM 176 O ARG B 39 -19.124 4.416 -0.072 1.00 14.87 O ATOM 177 CB ARG B 39 -16.378 6.399 0.379 1.00 14.02 C ATOM 178 CG ARG B 39 -16.118 5.147 1.308 1.00 16.29 C ATOM 179 CD ARG B 39 -14.889 5.417 2.211 1.00 20.15 C ATOM 180 NE ARG B 39 -15.227 6.312 3.328 1.00 21.63 N ATOM 181 CZ ARG B 39 -14.341 6.792 4.221 1.00 28.54 C ATOM 182 NH1 ARG B 39 -13.035 6.480 4.170 1.00 29.99 N ATOM 183 NH2 ARG B 39 -14.784 7.576 5.195 1.00 29.32 N ATOM 184 HE ARG B 39 -16.222 6.594 3.436 1.00 0.00 H ATOM 185 HH12 ARG B 39 -12.379 6.870 4.877 1.00 0.00 H ATOM 186 HH11 ARG B 39 -12.680 5.849 3.424 1.00 0.00 H ATOM 187 HH22 ARG B 39 -14.119 7.959 5.897 1.00 0.00 H ATOM 188 HH21 ARG B 39 -15.796 7.807 5.257 1.00 0.00 H ATOM 189 H ARG B 39 -19.596 6.124 1.112 1.00 0.00 H ATOM 190 N CYS B 40 -17.514 4.545 -1.685 1.00 13.21 N ATOM 191 CA CYS B 40 -17.619 3.113 -2.040 1.00 13.10 C ATOM 192 C CYS B 40 -16.240 2.468 -1.812 1.00 13.63 C ATOM 193 O CYS B 40 -15.272 2.946 -2.299 1.00 18.93 O ATOM 194 CB CYS B 40 -17.985 2.897 -3.477 1.00 13.01 C ATOM 195 SG CYS B 40 -19.521 3.669 -4.033 1.00 14.30 S ATOM 196 H CYS B 40 -16.917 5.177 -2.255 1.00 0.00 H ATOM 197 N LYS B 41 -16.183 1.494 -0.944 1.00 14.66 N ATOM 198 CA LYS B 41 -14.948 0.721 -0.651 1.00 13.39 C ATOM 199 C LYS B 41 -14.755 -0.378 -1.677 1.00 12.77 C ATOM 200 O LYS B 41 -15.728 -1.122 -1.912 1.00 14.57 O ATOM 201 CB LYS B 41 -15.086 0.076 0.736 1.00 13.78 C ATOM 202 CG LYS B 41 -15.153 1.079 1.864 1.00 13.81 C ATOM 203 CD LYS B 41 -14.506 0.577 3.173 1.00 15.22 C ATOM 204 CE LYS B 41 -12.973 0.436 3.159 1.00 16.30 C ATOM 205 NZ LYS B 41 -12.548 -0.364 4.362 1.00 15.36 N ATOM 206 HZ1 LYS B 41 -12.849 0.127 5.228 1.00 0.00 H ATOM 207 HZ2 LYS B 41 -12.989 -1.305 4.325 1.00 0.00 H ATOM 208 HZ3 LYS B 41 -11.513 -0.465 4.362 1.00 0.00 H ATOM 209 H LYS B 41 -17.051 1.245 -0.428 1.00 0.00 H ATOM 210 N PRO B 42 -13.569 -0.558 -2.264 1.00 13.03 N ATOM 211 CA PRO B 42 -13.407 -1.615 -3.230 1.00 12.62 C ATOM 212 C PRO B 42 -13.720 -3.017 -2.657 1.00 13.00 C ATOM 213 O PRO B 42 -14.347 -3.834 -3.367 1.00 13.34 O ATOM 214 CB PRO B 42 -11.925 -1.527 -3.622 1.00 14.39 C ATOM 215 CG PRO B 42 -11.694 -0.036 -3.487 1.00 15.55 C ATOM 216 CD PRO B 42 -12.407 0.348 -2.237 1.00 14.30 C ATOM 217 N VAL B 43 -13.334 -3.316 -1.431 1.00 11.54 N ATOM 218 CA VAL B 43 -13.475 -4.712 -0.914 1.00 12.13 C ATOM 219 C VAL B 43 -13.736 -4.706 0.563 1.00 11.37 C ATOM 220 O VAL B 43 -13.219 -3.868 1.293 1.00 14.63 O ATOM 221 CB VAL B 43 -12.195 -5.586 -1.119 1.00 13.50 C ATOM 222 CG1 VAL B 43 -11.969 -5.961 -2.578 1.00 13.68 C ATOM 223 CG2 VAL B 43 -10.998 -4.973 -0.415 1.00 12.65 C ATOM 224 H VAL B 43 -12.930 -2.577 -0.821 1.00 0.00 H ATOM 225 N ASN B 44 -14.531 -5.616 1.047 1.00 11.37 N ATOM 226 CA ASN B 44 -14.664 -5.781 2.475 1.00 11.59 C ATOM 227 C ASN B 44 -15.160 -7.208 2.742 1.00 11.20 C ATOM 228 O ASN B 44 -15.946 -7.778 1.933 1.00 14.40 O ATOM 229 CB ASN B 44 -15.790 -4.847 3.052 1.00 11.96 C ATOM 230 CG ASN B 44 -15.816 -4.922 4.583 1.00 12.17 C ATOM 231 OD1 ASN B 44 -14.781 -4.638 5.217 1.00 14.33 O ATOM 232 ND2 ASN B 44 -16.917 -5.314 5.153 1.00 11.12 N ATOM 233 HD22 ASN B 44 -17.751 -5.538 4.574 1.00 0.00 H ATOM 234 HD21 ASN B 44 -16.963 -5.404 6.188 1.00 0.00 H ATOM 235 H ASN B 44 -15.073 -6.227 0.402 1.00 0.00 H ATOM 236 N THR B 45 -14.798 -7.798 3.854 1.00 9.54 N ATOM 237 CA THR B 45 -15.183 -9.136 4.229 1.00 10.20 C ATOM 238 C THR B 45 -15.956 -9.083 5.560 1.00 10.77 C ATOM 239 O THR B 45 -15.520 -8.457 6.539 1.00 9.95 O ATOM 240 CB THR B 45 -13.920 -10.054 4.441 1.00 11.44 C ATOM 241 OG1 THR B 45 -13.221 -10.052 3.197 1.00 15.58 O ATOM 242 CG2 THR B 45 -14.374 -11.520 4.850 1.00 13.01 C ATOM 243 HG1 THR B 45 -12.412 -10.618 3.273 1.00 0.00 H ATOM 244 H THR B 45 -14.192 -7.266 4.511 1.00 0.00 H ATOM 245 N PHE B 46 -17.048 -9.829 5.618 1.00 9.59 N ATOM 246 CA PHE B 46 -17.835 -9.989 6.848 1.00 10.12 C ATOM 247 C PHE B 46 -17.677 -11.451 7.346 1.00 10.61 C ATOM 248 O PHE B 46 -17.784 -12.385 6.510 1.00 11.12 O ATOM 249 CB PHE B 46 -19.339 -9.716 6.615 1.00 10.62 C ATOM 250 CG PHE B 46 -19.629 -8.242 6.364 1.00 10.77 C ATOM 251 CD1 PHE B 46 -19.710 -7.313 7.439 1.00 10.95 C ATOM 252 CD2 PHE B 46 -19.833 -7.880 5.052 1.00 11.41 C ATOM 253 CE1 PHE B 46 -19.945 -5.988 7.109 1.00 11.18 C ATOM 254 CE2 PHE B 46 -20.140 -6.538 4.760 1.00 10.76 C ATOM 255 CZ PHE B 46 -20.163 -5.641 5.787 1.00 11.38 C ATOM 256 H PHE B 46 -17.362 -10.322 4.758 1.00 0.00 H ATOM 257 N VAL B 47 -17.501 -11.628 8.638 1.00 9.98 N ATOM 258 CA VAL B 47 -17.337 -12.999 9.261 1.00 9.32 C ATOM 259 C VAL B 47 -18.565 -13.389 9.985 1.00 10.04 C ATOM 260 O VAL B 47 -19.013 -12.660 10.934 1.00 10.52 O ATOM 261 CB VAL B 47 -16.103 -13.019 10.117 1.00 10.84 C ATOM 262 CG1 VAL B 47 -15.860 -14.434 10.670 1.00 11.75 C ATOM 263 CG2 VAL B 47 -14.906 -12.469 9.397 1.00 11.27 C ATOM 264 H VAL B 47 -17.473 -10.792 9.257 1.00 0.00 H ATOM 265 N HIS B 48 -19.157 -14.553 9.673 1.00 9.84 N ATOM 266 CA HIS B 48 -20.349 -14.995 10.369 1.00 10.57 C ATOM 267 C HIS B 48 -19.962 -16.012 11.422 1.00 11.52 C ATOM 268 O HIS B 48 -20.281 -17.166 11.308 1.00 11.87 O ATOM 269 CB HIS B 48 -21.370 -15.570 9.373 1.00 10.76 C ATOM 270 CG HIS B 48 -21.599 -14.730 8.189 1.00 11.46 C ATOM 271 ND1 HIS B 48 -22.421 -13.625 8.251 1.00 14.19 N ATOM 272 CD2 HIS B 48 -21.076 -14.744 6.952 1.00 11.78 C ATOM 273 CE1 HIS B 48 -22.407 -13.024 7.053 1.00 14.53 C ATOM 274 NE2 HIS B 48 -21.595 -13.679 6.250 1.00 11.06 N ATOM 275 H HIS B 48 -18.754 -15.147 8.920 1.00 0.00 H ATOM 276 N GLU B 49 -19.329 -15.522 12.471 1.00 10.78 N ATOM 277 CA GLU B 49 -19.008 -16.308 13.664 1.00 10.39 C ATOM 278 C GLU B 49 -19.220 -15.440 14.862 1.00 12.50 C ATOM 279 O GLU B 49 -19.279 -14.188 14.685 1.00 11.43 O ATOM 280 CB GLU B 49 -17.496 -16.784 13.578 1.00 12.59 C ATOM 281 CG GLU B 49 -17.185 -17.594 12.328 1.00 13.03 C ATOM 282 CD GLU B 49 -17.834 -18.956 12.265 1.00 12.06 C ATOM 283 OE1 GLU B 49 -18.357 -19.468 13.291 1.00 14.03 O ATOM 284 OE2 GLU B 49 -17.819 -19.545 11.124 1.00 12.40 O ATOM 285 H GLU B 49 -19.042 -14.523 12.449 1.00 0.00 H ATOM 286 N SER B 50 -19.218 -15.984 16.048 1.00 12.76 N ATOM 287 CA SER B 50 -19.420 -15.133 17.203 1.00 11.68 C ATOM 288 C SER B 50 -18.225 -14.248 17.385 1.00 12.24 C ATOM 289 O SER B 50 -17.066 -14.536 17.003 1.00 11.94 O ATOM 290 CB SER B 50 -19.657 -16.057 18.400 1.00 12.55 C ATOM 291 OG SER B 50 -18.371 -16.556 18.878 1.00 13.57 O ATOM 292 HG SER B 50 -18.518 -17.155 19.653 1.00 0.00 H ATOM 293 H SER B 50 -19.074 -17.008 16.162 1.00 0.00 H ATOM 294 N LEU B 51 -18.422 -13.044 17.981 1.00 11.20 N ATOM 295 CA LEU B 51 -17.346 -12.131 18.237 1.00 12.93 C ATOM 296 C LEU B 51 -16.193 -12.826 19.010 1.00 10.51 C ATOM 297 O LEU B 51 -15.023 -12.614 18.752 1.00 11.46 O ATOM 298 CB LEU B 51 -17.914 -10.849 18.996 1.00 12.80 C ATOM 299 CG LEU B 51 -16.800 -9.902 19.449 1.00 13.66 C ATOM 300 CD1 LEU B 51 -15.887 -9.330 18.354 1.00 14.24 C ATOM 301 CD2 LEU B 51 -17.469 -8.829 20.338 1.00 16.60 C ATOM 302 H LEU B 51 -19.387 -12.775 18.262 1.00 0.00 H ATOM 303 N ALA B 52 -16.631 -13.564 20.045 1.00 11.50 N ATOM 304 CA ALA B 52 -15.628 -14.221 20.923 1.00 11.37 C ATOM 305 C ALA B 52 -14.817 -15.301 20.153 1.00 10.59 C ATOM 306 O ALA B 52 -13.617 -15.379 20.396 1.00 11.82 O ATOM 307 CB ALA B 52 -16.309 -14.750 22.188 1.00 13.26 C ATOM 308 H ALA B 52 -17.649 -13.673 20.227 1.00 0.00 H ATOM 309 N ASP B 53 -15.473 -15.913 19.172 1.00 10.02 N ATOM 310 CA ASP B 53 -14.696 -16.927 18.380 1.00 10.53 C ATOM 311 C ASP B 53 -13.771 -16.236 17.417 1.00 12.07 C ATOM 312 O ASP B 53 -12.693 -16.748 17.126 1.00 11.69 O ATOM 313 CB ASP B 53 -15.651 -17.884 17.701 1.00 12.69 C ATOM 314 CG ASP B 53 -16.291 -18.847 18.673 1.00 12.45 C ATOM 315 OD1 ASP B 53 -15.970 -18.779 19.876 1.00 14.88 O ATOM 316 OD2 ASP B 53 -17.234 -19.568 18.241 1.00 16.27 O ATOM 317 H ASP B 53 -16.470 -15.702 18.964 1.00 0.00 H ATOM 318 N VAL B 54 -14.071 -15.013 16.929 1.00 10.55 N ATOM 319 CA VAL B 54 -13.105 -14.252 16.186 1.00 10.22 C ATOM 320 C VAL B 54 -11.957 -13.685 17.040 1.00 10.80 C ATOM 321 O VAL B 54 -10.793 -13.702 16.638 1.00 9.94 O ATOM 322 CB VAL B 54 -13.834 -13.143 15.322 1.00 10.89 C ATOM 323 CG1 VAL B 54 -12.853 -12.274 14.626 1.00 11.36 C ATOM 324 CG2 VAL B 54 -14.820 -13.882 14.395 1.00 12.55 C ATOM 325 H VAL B 54 -15.018 -14.615 17.094 1.00 0.00 H ATOM 326 N GLN B 55 -12.321 -13.172 18.243 1.00 11.02 N ATOM 327 CA GLN B 55 -11.318 -12.671 19.111 1.00 10.83 C ATOM 328 C GLN B 55 -10.358 -13.801 19.477 1.00 10.49 C ATOM 329 O GLN B 55 -9.195 -13.460 19.704 1.00 13.06 O ATOM 330 CB GLN B 55 -11.984 -12.066 20.374 1.00 11.84 C ATOM 331 CG GLN B 55 -12.716 -10.738 20.121 1.00 11.92 C ATOM 332 CD GLN B 55 -13.518 -10.405 21.345 1.00 12.35 C ATOM 333 OE1 GLN B 55 -14.046 -11.205 22.053 1.00 13.09 O ATOM 334 NE2 GLN B 55 -13.724 -9.057 21.522 1.00 13.56 N ATOM 335 HE22 GLN B 55 -13.255 -8.373 20.895 1.00 0.00 H ATOM 336 HE21 GLN B 55 -14.349 -8.722 22.283 1.00 0.00 H ATOM 337 H GLN B 55 -13.322 -13.147 18.524 1.00 0.00 H ATOM 338 N ALA B 56 -10.823 -15.039 19.526 1.00 12.30 N ATOM 339 CA ALA B 56 -9.960 -16.152 19.898 1.00 10.98 C ATOM 340 C ALA B 56 -8.865 -16.380 18.905 1.00 11.60 C ATOM 341 O ALA B 56 -7.843 -17.041 19.199 1.00 12.14 O ATOM 342 CB ALA B 56 -10.803 -17.313 19.977 1.00 9.83 C ATOM 343 H ALA B 56 -11.821 -15.220 19.295 1.00 0.00 H ATOM 344 N VAL B 57 -8.991 -15.858 17.698 1.00 10.81 N ATOM 345 CA VAL B 57 -7.962 -16.045 16.667 1.00 10.14 C ATOM 346 C VAL B 57 -6.673 -15.372 17.062 1.00 11.38 C ATOM 347 O VAL B 57 -5.584 -15.762 16.589 1.00 11.62 O ATOM 348 CB VAL B 57 -8.502 -15.653 15.230 1.00 10.23 C ATOM 349 CG1 VAL B 57 -7.352 -15.729 14.201 1.00 11.22 C ATOM 350 CG2 VAL B 57 -9.698 -16.466 14.895 1.00 11.07 C ATOM 351 H VAL B 57 -9.840 -15.301 17.472 1.00 0.00 H ATOM 352 N CYS B 58 -6.724 -14.314 17.936 1.00 11.67 N ATOM 353 CA CYS B 58 -5.467 -13.641 18.253 1.00 11.32 C ATOM 354 C CYS B 58 -4.496 -14.474 19.107 1.00 11.15 C ATOM 355 O CYS B 58 -3.395 -13.987 19.367 1.00 13.65 O ATOM 356 CB CYS B 58 -5.791 -12.325 19.023 1.00 11.38 C ATOM 357 SG CYS B 58 -6.654 -11.082 18.042 1.00 15.32 S ATOM 358 H CYS B 58 -7.623 -14.004 18.356 1.00 0.00 H ATOM 359 N SER B 59 -4.971 -15.664 19.465 1.00 12.54 N ATOM 360 CA SER B 59 -4.033 -16.586 20.185 1.00 13.98 C ATOM 361 C SER B 59 -3.895 -17.884 19.378 1.00 14.55 C ATOM 362 O SER B 59 -3.549 -18.944 19.993 1.00 13.84 O ATOM 363 CB SER B 59 -4.532 -16.828 21.617 1.00 13.95 C ATOM 364 OG SER B 59 -5.823 -17.373 21.623 1.00 13.95 O ATOM 365 HG SER B 59 -6.446 -16.748 21.174 1.00 0.00 H ATOM 366 H SER B 59 -5.951 -15.943 19.255 1.00 0.00 H ATOM 367 N GLN B 60 -4.185 -17.876 18.099 1.00 13.07 N ATOM 368 CA GLN B 60 -4.059 -19.077 17.208 1.00 13.72 C ATOM 369 C GLN B 60 -2.744 -18.997 16.482 1.00 15.74 C ATOM 370 O GLN B 60 -1.723 -18.606 17.101 1.00 15.63 O ATOM 371 CB GLN B 60 -5.342 -19.291 16.358 1.00 12.12 C ATOM 372 CG GLN B 60 -6.472 -19.543 17.344 1.00 11.34 C ATOM 373 CD GLN B 60 -7.832 -19.805 16.746 1.00 11.42 C ATOM 374 OE1 GLN B 60 -7.948 -20.157 15.564 1.00 11.06 O ATOM 375 NE2 GLN B 60 -8.913 -19.567 17.533 1.00 12.68 N ATOM 376 HE22 GLN B 60 -8.782 -19.273 18.522 1.00 0.00 H ATOM 377 HE21 GLN B 60 -9.872 -19.679 17.147 1.00 0.00 H ATOM 378 H GLN B 60 -4.522 -16.986 17.678 1.00 0.00 H ATOM 379 N LYS B 61 -2.678 -19.270 15.191 1.00 14.61 N ATOM 380 CA LYS B 61 -1.332 -19.471 14.584 1.00 15.41 C ATOM 381 C LYS B 61 -0.741 -18.155 14.154 1.00 17.43 C ATOM 382 O LYS B 61 -1.283 -17.465 13.302 1.00 15.70 O ATOM 383 CB LYS B 61 -1.476 -20.374 13.367 1.00 18.57 C ATOM 384 CG LYS B 61 -0.090 -20.738 12.763 1.00 26.24 C ATOM 385 CD LYS B 61 0.510 -22.013 13.385 1.00 31.73 C ATOM 386 CE LYS B 61 1.450 -21.804 14.559 1.00 32.10 C ATOM 387 NZ LYS B 61 2.866 -22.155 14.226 1.00 35.29 N ATOM 388 HZ1 LYS B 61 2.917 -23.156 13.947 1.00 0.00 H ATOM 389 HZ2 LYS B 61 3.194 -21.558 13.441 1.00 0.00 H ATOM 390 HZ3 LYS B 61 3.467 -21.995 15.060 1.00 0.00 H ATOM 391 H LYS B 61 -3.541 -19.343 14.615 1.00 0.00 H ATOM 392 N ASN B 62 0.382 -17.716 14.707 1.00 15.51 N ATOM 393 CA ASN B 62 1.052 -16.513 14.341 1.00 16.38 C ATOM 394 C ASN B 62 1.606 -16.642 12.942 1.00 17.82 C ATOM 395 O ASN B 62 2.307 -17.660 12.653 1.00 20.48 O ATOM 396 CB ASN B 62 2.159 -16.199 15.372 1.00 15.73 C ATOM 397 CG ASN B 62 2.897 -14.910 15.103 1.00 19.72 C ATOM 398 OD1 ASN B 62 4.160 -14.866 15.227 1.00 20.48 O ATOM 399 ND2 ASN B 62 2.180 -13.814 14.804 1.00 17.90 N ATOM 400 HD22 ASN B 62 1.146 -13.879 14.708 1.00 0.00 H ATOM 401 HD21 ASN B 62 2.658 -12.901 14.668 1.00 0.00 H ATOM 402 H ASN B 62 0.804 -18.292 15.463 1.00 0.00 H ATOM 403 N VAL B 63 1.373 -15.659 12.089 1.00 14.28 N ATOM 404 CA VAL B 63 1.874 -15.683 10.730 1.00 15.88 C ATOM 405 C VAL B 63 2.286 -14.284 10.418 1.00 15.79 C ATOM 406 O VAL B 63 1.850 -13.300 11.083 1.00 15.57 O ATOM 407 CB VAL B 63 0.756 -16.150 9.720 1.00 14.51 C ATOM 408 CG1 VAL B 63 0.373 -17.573 9.915 1.00 15.54 C ATOM 409 CG2 VAL B 63 -0.508 -15.281 9.800 1.00 14.26 C ATOM 410 H VAL B 63 0.812 -14.842 12.404 1.00 0.00 H ATOM 411 N ALA B 64 3.153 -14.089 9.413 1.00 15.93 N ATOM 412 CA ALA B 64 3.443 -12.739 8.917 1.00 18.14 C ATOM 413 C ALA B 64 2.172 -12.059 8.329 1.00 18.67 C ATOM 414 O ALA B 64 1.341 -12.696 7.652 1.00 18.93 O ATOM 415 CB ALA B 64 4.505 -12.820 7.785 1.00 17.29 C ATOM 416 H ALA B 64 3.627 -14.907 8.979 1.00 0.00 H ATOM 417 N CYS B 65 2.068 -10.731 8.540 1.00 20.19 N ATOM 418 CA CYS B 65 1.072 -9.909 7.827 1.00 21.39 C ATOM 419 C CYS B 65 1.512 -9.605 6.432 1.00 22.62 C ATOM 420 O CYS B 65 2.711 -9.593 6.216 1.00 22.85 O ATOM 421 CB CYS B 65 0.823 -8.581 8.578 1.00 22.58 C ATOM 422 SG CYS B 65 0.229 -8.777 10.295 1.00 22.48 S ATOM 423 H CYS B 65 2.706 -10.275 9.223 1.00 0.00 H ATOM 424 N LYS B 66 0.576 -9.357 5.540 1.00 23.16 N ATOM 425 CA LYS B 66 0.933 -8.846 4.219 1.00 30.67 C ATOM 426 C LYS B 66 2.021 -7.749 4.268 1.00 28.24 C ATOM 427 O LYS B 66 2.915 -7.742 3.415 1.00 33.73 O ATOM 428 CB LYS B 66 -0.295 -8.320 3.452 1.00 30.71 C ATOM 429 CG LYS B 66 -1.132 -9.411 2.808 1.00 42.16 C ATOM 430 CD LYS B 66 -1.728 -8.938 1.471 1.00 52.68 C ATOM 431 CE LYS B 66 -0.754 -9.104 0.280 1.00 57.83 C ATOM 432 NZ LYS B 66 -0.961 -8.136 -0.855 1.00 59.80 N ATOM 433 HZ1 LYS B 66 -1.921 -8.252 -1.238 1.00 0.00 H ATOM 434 HZ2 LYS B 66 -0.841 -7.164 -0.506 1.00 0.00 H ATOM 435 HZ3 LYS B 66 -0.263 -8.326 -1.603 1.00 0.00 H ATOM 436 H LYS B 66 -0.422 -9.526 5.777 1.00 0.00 H ATOM 437 N ASN B 67 1.970 -6.848 5.252 1.00 27.91 N ATOM 438 CA ASN B 67 2.815 -5.680 5.259 1.00 26.74 C ATOM 439 C ASN B 67 4.176 -6.059 5.890 1.00 32.54 C ATOM 440 O ASN B 67 5.007 -5.171 6.143 1.00 38.12 O ATOM 441 CB ASN B 67 2.137 -4.469 5.982 1.00 30.71 C ATOM 442 CG ASN B 67 1.812 -4.726 7.465 1.00 31.21 C ATOM 443 OD1 ASN B 67 2.294 -5.666 8.085 1.00 31.97 O ATOM 444 ND2 ASN B 67 0.995 -3.849 8.052 1.00 36.11 N ATOM 445 HD22 ASN B 67 0.599 -3.059 7.503 1.00 0.00 H ATOM 446 HD21 ASN B 67 0.754 -3.955 9.058 1.00 0.00 H ATOM 447 H ASN B 67 1.302 -6.993 6.036 1.00 0.00 H ATOM 448 N GLY B 68 4.351 -7.361 6.180 1.00 31.73 N ATOM 449 CA GLY B 68 5.528 -7.937 6.894 1.00 30.07 C ATOM 450 C GLY B 68 5.609 -7.822 8.397 1.00 30.76 C ATOM 451 O GLY B 68 6.517 -8.398 8.994 1.00 30.32 O ATOM 452 H GLY B 68 3.604 -8.021 5.882 1.00 0.00 H ATOM 453 N GLN B 69 4.678 -7.098 9.058 1.00 28.79 N ATOM 454 CA GLN B 69 4.678 -7.075 10.489 1.00 28.67 C ATOM 455 C GLN B 69 4.320 -8.497 10.933 1.00 26.31 C ATOM 456 O GLN B 69 3.811 -9.348 10.164 1.00 27.63 O ATOM 457 CB GLN B 69 3.727 -6.025 11.137 1.00 28.12 C ATOM 458 CG GLN B 69 4.098 -4.546 10.909 1.00 34.60 C ATOM 459 CD GLN B 69 3.150 -3.561 11.587 1.00 44.79 C ATOM 460 OE1 GLN B 69 2.198 -3.972 12.272 1.00 49.09 O ATOM 461 NE2 GLN B 69 3.397 -2.251 11.396 1.00 44.73 N ATOM 462 HE22 GLN B 69 4.206 -1.954 10.814 1.00 0.00 H ATOM 463 HE21 GLN B 69 2.778 -1.537 11.830 1.00 0.00 H ATOM 464 H GLN B 69 3.964 -6.559 8.528 1.00 0.00 H ATOM 465 N THR B 70 4.540 -8.736 12.183 1.00 28.31 N ATOM 466 CA THR B 70 4.443 -10.057 12.637 1.00 26.89 C ATOM 467 C THR B 70 3.309 -10.257 13.652 1.00 24.15 C ATOM 468 O THR B 70 3.314 -11.169 14.466 1.00 25.48 O ATOM 469 CB THR B 70 5.840 -10.503 13.144 1.00 32.39 C ATOM 470 OG1 THR B 70 5.758 -11.903 13.432 1.00 45.49 O ATOM 471 CG2 THR B 70 6.322 -9.640 14.376 1.00 35.71 C ATOM 472 HG1 THR B 70 5.069 -12.056 14.127 1.00 0.00 H ATOM 473 H THR B 70 4.784 -7.965 12.837 1.00 0.00 H ATOM 474 N ASN B 71 2.320 -9.332 13.658 1.00 20.19 N ATOM 475 CA ASN B 71 1.232 -9.439 14.628 1.00 18.16 C ATOM 476 C ASN B 71 -0.029 -9.933 13.999 1.00 14.98 C ATOM 477 O ASN B 71 -1.182 -9.607 14.431 1.00 15.71 O ATOM 478 CB ASN B 71 0.893 -8.083 15.271 1.00 20.36 C ATOM 479 CG ASN B 71 0.456 -7.026 14.258 1.00 20.31 C ATOM 480 OD1 ASN B 71 1.023 -6.900 13.190 1.00 20.76 O ATOM 481 ND2 ASN B 71 -0.583 -6.280 14.590 1.00 19.90 N ATOM 482 HD22 ASN B 71 -1.045 -6.413 15.512 1.00 0.00 H ATOM 483 HD21 ASN B 71 -0.938 -5.560 13.929 1.00 0.00 H ATOM 484 H ASN B 71 2.335 -8.548 12.975 1.00 0.00 H ATOM 485 N CYS B 72 0.115 -10.774 12.991 1.00 15.15 N ATOM 486 CA CYS B 72 -1.033 -11.452 12.367 1.00 13.93 C ATOM 487 C CYS B 72 -1.243 -12.921 12.799 1.00 13.76 C ATOM 488 O CYS B 72 -0.261 -13.587 13.227 1.00 13.42 O ATOM 489 CB CYS B 72 -0.960 -11.395 10.862 1.00 15.89 C ATOM 490 SG CYS B 72 -1.445 -9.767 10.262 1.00 19.46 S ATOM 491 H CYS B 72 1.070 -10.963 12.626 1.00 0.00 H ATOM 492 N TYR B 73 -2.481 -13.416 12.734 1.00 15.24 N ATOM 493 CA TYR B 73 -2.859 -14.689 13.255 1.00 13.65 C ATOM 494 C TYR B 73 -3.841 -15.356 12.327 1.00 14.89 C ATOM 495 O TYR B 73 -4.829 -14.708 11.896 1.00 14.98 O ATOM 496 CB TYR B 73 -3.474 -14.616 14.685 1.00 13.98 C ATOM 497 CG TYR B 73 -2.462 -14.118 15.643 1.00 15.82 C ATOM 498 CD1 TYR B 73 -2.271 -12.764 15.769 1.00 14.67 C ATOM 499 CD2 TYR B 73 -1.645 -15.005 16.372 1.00 14.72 C ATOM 500 CE1 TYR B 73 -1.254 -12.241 16.551 1.00 16.26 C ATOM 501 CE2 TYR B 73 -0.633 -14.483 17.169 1.00 18.38 C ATOM 502 CZ TYR B 73 -0.457 -13.098 17.240 1.00 17.03 C ATOM 503 OH TYR B 73 0.519 -12.542 18.053 1.00 23.35 O ATOM 504 HH TYR B 73 1.409 -12.873 17.772 1.00 0.00 H ATOM 505 H TYR B 73 -3.214 -12.838 12.276 1.00 0.00 H ATOM 506 N GLN B 74 -3.610 -16.597 11.969 1.00 14.41 N ATOM 507 CA GLN B 74 -4.490 -17.323 11.101 1.00 13.55 C ATOM 508 C GLN B 74 -5.336 -18.293 11.840 1.00 13.58 C ATOM 509 O GLN B 74 -4.769 -19.022 12.734 1.00 15.39 O ATOM 510 CB GLN B 74 -3.642 -18.077 10.063 1.00 14.58 C ATOM 511 CG GLN B 74 -4.444 -18.902 9.091 1.00 15.99 C ATOM 512 CD GLN B 74 -3.626 -19.409 7.877 1.00 19.65 C ATOM 513 OE1 GLN B 74 -3.798 -20.550 7.468 1.00 24.31 O ATOM 514 NE2 GLN B 74 -2.881 -18.528 7.254 1.00 18.21 N ATOM 515 HE22 GLN B 74 -2.769 -17.571 7.646 1.00 0.00 H ATOM 516 HE21 GLN B 74 -2.402 -18.786 6.368 1.00 0.00 H ATOM 517 H GLN B 74 -2.757 -17.071 12.328 1.00 0.00 H ATOM 518 N SER B 75 -6.673 -18.375 11.673 1.00 11.89 N ATOM 519 CA SER B 75 -7.521 -19.332 12.335 1.00 11.45 C ATOM 520 C SER B 75 -7.146 -20.776 11.999 1.00 12.66 C ATOM 521 O SER B 75 -6.951 -21.148 10.837 1.00 13.28 O ATOM 522 CB SER B 75 -8.979 -18.979 12.012 1.00 12.11 C ATOM 523 OG SER B 75 -9.342 -19.105 10.652 1.00 11.33 O ATOM 524 HG SER B 75 -9.207 -20.042 10.361 1.00 0.00 H ATOM 525 H SER B 75 -7.122 -17.700 11.021 1.00 0.00 H ATOM 526 N TYR B 76 -7.181 -21.581 13.041 1.00 11.54 N ATOM 527 CA TYR B 76 -7.079 -23.039 12.786 1.00 12.81 C ATOM 528 C TYR B 76 -8.141 -23.548 11.853 1.00 12.96 C ATOM 529 O TYR B 76 -7.928 -24.426 10.986 1.00 15.11 O ATOM 530 CB TYR B 76 -7.163 -23.852 14.138 1.00 12.45 C ATOM 531 CG TYR B 76 -5.981 -23.683 15.076 1.00 14.21 C ATOM 532 CD1 TYR B 76 -4.706 -24.100 14.694 1.00 18.08 C ATOM 533 CD2 TYR B 76 -6.123 -23.070 16.323 1.00 13.44 C ATOM 534 CE1 TYR B 76 -3.640 -23.956 15.600 1.00 19.08 C ATOM 535 CE2 TYR B 76 -5.056 -22.878 17.192 1.00 15.29 C ATOM 536 CZ TYR B 76 -3.836 -23.225 16.782 1.00 17.58 C ATOM 537 OH TYR B 76 -2.802 -23.048 17.694 1.00 21.53 O ATOM 538 HH TYR B 76 -1.949 -23.337 17.284 1.00 0.00 H ATOM 539 H TYR B 76 -7.277 -21.208 14.007 1.00 0.00 H ATOM 540 N SER B 77 -9.393 -23.090 12.071 1.00 13.41 N ATOM 541 CA SER B 77 -10.553 -23.611 11.374 1.00 14.41 C ATOM 542 C SER B 77 -10.907 -22.651 10.218 1.00 12.02 C ATOM 543 O SER B 77 -10.566 -21.468 10.224 1.00 12.46 O ATOM 544 CB SER B 77 -11.858 -23.723 12.208 1.00 17.16 C ATOM 545 OG SER B 77 -12.276 -22.404 12.729 1.00 25.92 O ATOM 546 HG SER B 77 -11.561 -22.038 13.308 1.00 0.00 H ATOM 547 H SER B 77 -9.531 -22.331 12.769 1.00 0.00 H ATOM 548 N THR B 78 -11.622 -23.167 9.239 1.00 13.21 N ATOM 549 CA THR B 78 -12.273 -22.232 8.295 1.00 13.57 C ATOM 550 C THR B 78 -13.473 -21.681 9.056 1.00 15.58 C ATOM 551 O THR B 78 -14.066 -22.315 9.888 1.00 15.97 O ATOM 552 CB THR B 78 -12.788 -23.031 7.041 1.00 14.49 C ATOM 553 OG1 THR B 78 -13.689 -24.025 7.451 1.00 17.09 O ATOM 554 CG2 THR B 78 -11.618 -23.554 6.174 1.00 17.46 C ATOM 555 HG1 THR B 78 -14.010 -24.525 6.659 1.00 0.00 H ATOM 556 H THR B 78 -11.725 -24.196 9.133 1.00 0.00 H ATOM 557 N MET B 79 -13.846 -20.474 8.649 1.00 12.21 N ATOM 558 CA MET B 79 -15.073 -19.736 9.117 1.00 12.62 C ATOM 559 C MET B 79 -15.951 -19.328 7.978 1.00 11.18 C ATOM 560 O MET B 79 -15.481 -19.207 6.855 1.00 12.43 O ATOM 561 CB MET B 79 -14.549 -18.502 9.898 1.00 12.31 C ATOM 562 CG MET B 79 -13.847 -18.898 11.191 1.00 13.08 C ATOM 563 SD MET B 79 -13.367 -17.449 12.136 1.00 13.60 S ATOM 564 CE MET B 79 -12.809 -18.220 13.657 1.00 13.69 C ATOM 565 H MET B 79 -13.241 -19.998 7.949 1.00 0.00 H ATOM 566 N SER B 80 -17.252 -19.129 8.296 1.00 11.62 N ATOM 567 CA SER B 80 -18.202 -18.632 7.306 1.00 11.28 C ATOM 568 C SER B 80 -17.924 -17.151 7.004 1.00 10.68 C ATOM 569 O SER B 80 -17.940 -16.326 7.940 1.00 13.02 O ATOM 570 CB SER B 80 -19.545 -18.772 7.910 1.00 13.76 C ATOM 571 OG SER B 80 -20.475 -18.226 6.983 1.00 14.06 O ATOM 572 HG SER B 80 -21.390 -18.301 7.353 1.00 0.00 H ATOM 573 H SER B 80 -17.580 -19.334 9.262 1.00 0.00 H ATOM 574 N ILE B 81 -17.609 -16.848 5.778 1.00 10.99 N ATOM 575 CA ILE B 81 -17.302 -15.464 5.420 1.00 11.62 C ATOM 576 C ILE B 81 -18.017 -15.042 4.146 1.00 11.72 C ATOM 577 O ILE B 81 -18.289 -15.840 3.266 1.00 12.76 O ATOM 578 CB ILE B 81 -15.817 -15.179 5.320 1.00 14.77 C ATOM 579 CG1 ILE B 81 -15.239 -15.873 4.163 1.00 15.81 C ATOM 580 CG2 ILE B 81 -15.086 -15.532 6.612 1.00 15.72 C ATOM 581 CD1 ILE B 81 -13.965 -15.215 3.787 1.00 24.35 C ATOM 582 H ILE B 81 -17.576 -17.592 5.052 1.00 0.00 H ATOM 583 N THR B 82 -18.337 -13.746 4.042 1.00 10.64 N ATOM 584 CA THR B 82 -18.942 -13.165 2.838 1.00 11.19 C ATOM 585 C THR B 82 -17.951 -12.155 2.372 1.00 10.31 C ATOM 586 O THR B 82 -17.623 -11.157 3.081 1.00 11.57 O ATOM 587 CB THR B 82 -20.336 -12.521 3.044 1.00 11.36 C ATOM 588 OG1 THR B 82 -21.165 -13.498 3.610 1.00 11.43 O ATOM 589 CG2 THR B 82 -20.842 -12.089 1.701 1.00 11.35 C ATOM 590 HG1 THR B 82 -21.226 -14.273 2.997 1.00 0.00 H ATOM 591 H THR B 82 -18.148 -13.122 4.852 1.00 0.00 H ATOM 592 N ASP B 83 -17.494 -12.296 1.146 1.00 11.47 N ATOM 593 CA ASP B 83 -16.653 -11.299 0.509 1.00 12.50 C ATOM 594 C ASP B 83 -17.503 -10.363 -0.317 1.00 12.74 C ATOM 595 O ASP B 83 -18.355 -10.823 -1.105 1.00 12.92 O ATOM 596 CB ASP B 83 -15.637 -11.989 -0.435 1.00 15.41 C ATOM 597 CG ASP B 83 -14.839 -11.003 -1.253 1.00 19.69 C ATOM 598 OD1 ASP B 83 -13.701 -10.710 -0.839 1.00 21.93 O ATOM 599 OD2 ASP B 83 -15.301 -10.542 -2.321 1.00 20.25 O ATOM 600 H ASP B 83 -17.745 -13.154 0.614 1.00 0.00 H ATOM 601 N CYS B 84 -17.271 -9.076 -0.182 1.00 11.67 N ATOM 602 CA CYS B 84 -17.957 -8.061 -0.972 1.00 11.74 C ATOM 603 C CYS B 84 -16.921 -7.340 -1.800 1.00 13.43 C ATOM 604 O CYS B 84 -15.972 -6.812 -1.250 1.00 14.79 O ATOM 605 CB CYS B 84 -18.601 -7.072 -0.024 1.00 12.07 C ATOM 606 SG CYS B 84 -19.863 -7.817 1.057 1.00 11.41 S ATOM 607 H CYS B 84 -16.567 -8.769 0.519 1.00 0.00 H ATOM 608 N ARG B 85 -17.173 -7.242 -3.111 1.00 12.76 N ATOM 609 CA ARG B 85 -16.193 -6.559 -3.917 1.00 12.85 C ATOM 610 C ARG B 85 -16.945 -5.668 -4.913 1.00 11.71 C ATOM 611 O ARG B 85 -17.917 -6.156 -5.550 1.00 12.01 O ATOM 612 CB ARG B 85 -15.327 -7.573 -4.646 1.00 15.91 C ATOM 613 CG ARG B 85 -14.322 -6.817 -5.506 1.00 18.16 C ATOM 614 CD ARG B 85 -13.312 -7.776 -6.075 1.00 19.92 C ATOM 615 NE ARG B 85 -12.339 -8.239 -5.092 1.00 19.04 N ATOM 616 CZ ARG B 85 -11.036 -7.941 -5.082 1.00 18.42 C ATOM 617 NH1 ARG B 85 -10.529 -7.059 -5.915 1.00 19.00 N ATOM 618 NH2 ARG B 85 -10.283 -8.546 -4.167 1.00 20.90 N ATOM 619 HE ARG B 85 -12.690 -8.856 -4.332 1.00 0.00 H ATOM 620 HH12 ARG B 85 -9.512 -6.843 -5.889 1.00 0.00 H ATOM 621 HH11 ARG B 85 -11.145 -6.577 -6.600 1.00 0.00 H ATOM 622 HH22 ARG B 85 -9.263 -8.347 -4.119 1.00 0.00 H ATOM 623 HH21 ARG B 85 -10.714 -9.218 -3.500 1.00 0.00 H ATOM 624 H ARG B 85 -18.038 -7.641 -3.529 1.00 0.00 H ATOM 625 N GLU B 86 -16.465 -4.428 -5.092 1.00 11.47 N ATOM 626 CA GLU B 86 -17.189 -3.544 -6.029 1.00 12.69 C ATOM 627 C GLU B 86 -17.176 -4.120 -7.467 1.00 13.95 C ATOM 628 O GLU B 86 -16.139 -4.659 -7.911 1.00 13.47 O ATOM 629 CB GLU B 86 -16.575 -2.140 -6.090 1.00 14.04 C ATOM 630 CG GLU B 86 -17.050 -1.139 -5.087 1.00 17.54 C ATOM 631 CD GLU B 86 -16.400 0.141 -5.341 1.00 16.67 C ATOM 632 OE1 GLU B 86 -15.218 0.286 -5.068 1.00 19.47 O ATOM 633 OE2 GLU B 86 -17.088 1.030 -5.875 1.00 13.88 O ATOM 634 H GLU B 86 -15.615 -4.101 -4.590 1.00 0.00 H ATOM 635 N THR B 87 -18.245 -3.813 -8.176 1.00 14.58 N ATOM 636 CA THR B 87 -18.247 -4.101 -9.599 1.00 16.21 C ATOM 637 C THR B 87 -17.359 -3.086 -10.317 1.00 17.11 C ATOM 638 O THR B 87 -16.944 -2.065 -9.771 1.00 17.13 O ATOM 639 CB THR B 87 -19.639 -3.945 -10.207 1.00 18.90 C ATOM 640 OG1 THR B 87 -20.018 -2.567 -10.157 1.00 20.58 O ATOM 641 CG2 THR B 87 -20.640 -4.865 -9.494 1.00 21.33 C ATOM 642 HG1 THR B 87 -20.920 -2.460 -10.550 1.00 0.00 H ATOM 643 H THR B 87 -19.072 -3.373 -7.724 1.00 0.00 H ATOM 644 N GLY B 88 -17.109 -3.360 -11.601 1.00 19.05 N ATOM 645 CA GLY B 88 -16.312 -2.473 -12.456 1.00 21.06 C ATOM 646 C GLY B 88 -16.874 -1.079 -12.659 1.00 19.57 C ATOM 647 O GLY B 88 -16.061 -0.115 -12.697 1.00 23.47 O ATOM 648 H GLY B 88 -17.494 -4.235 -12.010 1.00 0.00 H ATOM 649 N SER B 89 -18.182 -0.960 -12.683 1.00 20.98 N ATOM 650 CA SER B 89 -18.809 0.343 -12.957 1.00 21.65 C ATOM 651 C SER B 89 -19.188 1.075 -11.668 1.00 22.70 C ATOM 652 O SER B 89 -19.529 2.245 -11.692 1.00 24.09 O ATOM 653 CB SER B 89 -20.049 0.139 -13.818 1.00 23.24 C ATOM 654 OG SER B 89 -21.017 -0.601 -13.089 1.00 23.56 O ATOM 655 HG SER B 89 -20.639 -1.482 -12.841 1.00 0.00 H ATOM 656 H SER B 89 -18.779 -1.793 -12.507 1.00 0.00 H ATOM 657 N SER B 90 -19.101 0.395 -10.530 1.00 18.36 N ATOM 658 CA SER B 90 -19.614 0.976 -9.271 1.00 15.51 C ATOM 659 C SER B 90 -18.969 2.324 -8.987 1.00 15.06 C ATOM 660 O SER B 90 -17.772 2.464 -9.008 1.00 15.48 O ATOM 661 CB SER B 90 -19.305 0.012 -8.137 1.00 13.95 C ATOM 662 OG SER B 90 -19.577 0.583 -6.841 1.00 13.61 O ATOM 663 HG SER B 90 -19.021 1.392 -6.715 1.00 0.00 H ATOM 664 H SER B 90 -18.670 -0.551 -10.525 1.00 0.00 H ATOM 665 N LYS B 91 -19.778 3.344 -8.602 1.00 15.14 N ATOM 666 CA LYS B 91 -19.215 4.599 -8.139 1.00 15.74 C ATOM 667 C LYS B 91 -20.201 5.295 -7.221 1.00 13.05 C ATOM 668 O LYS B 91 -21.433 5.128 -7.375 1.00 15.33 O ATOM 669 CB LYS B 91 -18.627 5.522 -9.254 1.00 17.68 C ATOM 670 CG LYS B 91 -19.684 6.241 -10.051 1.00 18.84 C ATOM 671 CD LYS B 91 -19.360 6.829 -11.484 1.00 20.55 C ATOM 672 CE LYS B 91 -18.624 8.165 -11.449 1.00 19.29 C ATOM 673 NZ LYS B 91 -19.563 9.270 -11.090 1.00 15.16 N ATOM 674 HZ1 LYS B 91 -20.323 9.321 -11.798 1.00 0.00 H ATOM 675 HZ2 LYS B 91 -19.972 9.084 -10.152 1.00 0.00 H ATOM 676 HZ3 LYS B 91 -19.045 10.171 -11.071 1.00 0.00 H ATOM 677 H LYS B 91 -20.810 3.225 -8.639 1.00 0.00 H ATOM 678 N TYR B 92 -19.675 6.117 -6.357 1.00 13.11 N ATOM 679 CA TYR B 92 -20.516 6.769 -5.313 1.00 12.53 C ATOM 680 C TYR B 92 -21.522 7.730 -6.001 1.00 12.18 C ATOM 681 O TYR B 92 -21.135 8.398 -6.929 1.00 13.46 O ATOM 682 CB TYR B 92 -19.638 7.504 -4.334 1.00 13.50 C ATOM 683 CG TYR B 92 -20.391 8.037 -3.200 1.00 13.84 C ATOM 684 CD1 TYR B 92 -20.764 7.232 -2.135 1.00 13.48 C ATOM 685 CD2 TYR B 92 -20.846 9.390 -3.207 1.00 12.90 C ATOM 686 CE1 TYR B 92 -21.488 7.727 -1.050 1.00 14.46 C ATOM 687 CE2 TYR B 92 -21.602 9.886 -2.150 1.00 13.86 C ATOM 688 CZ TYR B 92 -21.928 9.076 -1.069 1.00 13.27 C ATOM 689 OH TYR B 92 -22.726 9.540 -0.038 1.00 15.04 O ATOM 690 HH TYR B 92 -22.845 8.823 0.634 1.00 0.00 H ATOM 691 H TYR B 92 -18.656 6.321 -6.396 1.00 0.00 H ATOM 692 N PRO B 93 -22.733 7.777 -5.551 1.00 12.32 N ATOM 693 CA PRO B 93 -23.361 7.107 -4.368 1.00 12.85 C ATOM 694 C PRO B 93 -23.908 5.713 -4.600 1.00 14.94 C ATOM 695 O PRO B 93 -24.180 5.027 -3.593 1.00 16.35 O ATOM 696 CB PRO B 93 -24.510 8.043 -4.025 1.00 14.66 C ATOM 697 CG PRO B 93 -24.934 8.582 -5.393 1.00 14.12 C ATOM 698 CD PRO B 93 -23.612 8.853 -6.116 1.00 13.88 C ATOM 699 N ASN B 94 -24.024 5.271 -5.837 1.00 13.92 N ATOM 700 CA ASN B 94 -24.694 4.016 -6.162 1.00 14.91 C ATOM 701 C ASN B 94 -23.649 2.880 -6.181 1.00 14.78 C ATOM 702 O ASN B 94 -23.315 2.271 -7.247 1.00 15.99 O ATOM 703 CB ASN B 94 -25.249 4.130 -7.556 1.00 20.29 C ATOM 704 CG ASN B 94 -26.243 5.249 -7.656 1.00 27.56 C ATOM 705 OD1 ASN B 94 -26.001 6.250 -8.323 1.00 33.58 O ATOM 706 ND2 ASN B 94 -27.275 5.142 -6.899 1.00 26.07 N ATOM 707 HD22 ASN B 94 -27.432 4.270 -6.354 1.00 0.00 H ATOM 708 HD21 ASN B 94 -27.953 5.927 -6.831 1.00 0.00 H ATOM 709 H ASN B 94 -23.623 5.839 -6.611 1.00 0.00 H ATOM 710 N CYS B 95 -23.091 2.616 -4.983 1.00 15.48 N ATOM 711 CA CYS B 95 -22.052 1.579 -4.916 1.00 13.64 C ATOM 712 C CYS B 95 -22.764 0.272 -5.260 1.00 17.62 C ATOM 713 O CYS B 95 -23.984 0.040 -4.961 1.00 19.05 O ATOM 714 CB CYS B 95 -21.536 1.464 -3.502 1.00 14.63 C ATOM 715 SG CYS B 95 -20.952 2.972 -2.764 1.00 16.08 S ATOM 716 H CYS B 95 -23.387 3.132 -4.130 1.00 0.00 H ATOM 717 N ALA B 96 -22.028 -0.591 -5.904 1.00 15.13 N ATOM 718 CA ALA B 96 -22.545 -1.871 -6.366 1.00 16.72 C ATOM 719 C ALA B 96 -21.514 -2.949 -6.041 1.00 13.22 C ATOM 720 O ALA B 96 -20.355 -2.826 -6.447 1.00 14.63 O ATOM 721 CB ALA B 96 -22.826 -1.844 -7.840 1.00 20.99 C ATOM 722 H ALA B 96 -21.033 -0.356 -6.095 1.00 0.00 H ATOM 723 N TYR B 97 -21.970 -4.026 -5.385 1.00 13.40 N ATOM 724 CA TYR B 97 -21.073 -5.126 -4.965 1.00 13.99 C ATOM 725 C TYR B 97 -21.500 -6.449 -5.506 1.00 14.32 C ATOM 726 O TYR B 97 -22.674 -6.692 -5.641 1.00 16.00 O ATOM 727 CB TYR B 97 -21.079 -5.243 -3.371 1.00 12.39 C ATOM 728 CG TYR B 97 -20.397 -4.046 -2.811 1.00 10.74 C ATOM 729 CD1 TYR B 97 -21.092 -2.836 -2.433 1.00 12.14 C ATOM 730 CD2 TYR B 97 -19.008 -4.030 -2.665 1.00 11.78 C ATOM 731 CE1 TYR B 97 -20.382 -1.723 -2.050 1.00 11.37 C ATOM 732 CE2 TYR B 97 -18.278 -2.888 -2.286 1.00 13.03 C ATOM 733 CZ TYR B 97 -18.981 -1.728 -1.988 1.00 12.78 C ATOM 734 OH TYR B 97 -18.258 -0.607 -1.659 1.00 12.78 O ATOM 735 HH TYR B 97 -17.665 -0.365 -2.414 1.00 0.00 H ATOM 736 H TYR B 97 -22.984 -4.090 -5.165 1.00 0.00 H ATOM 737 N LYS B 98 -20.514 -7.297 -5.751 1.00 13.35 N ATOM 738 CA LYS B 98 -20.655 -8.735 -5.957 1.00 15.20 C ATOM 739 C LYS B 98 -20.429 -9.399 -4.642 1.00 13.87 C ATOM 740 O LYS B 98 -19.480 -9.081 -3.949 1.00 14.70 O ATOM 741 CB LYS B 98 -19.527 -9.083 -6.929 1.00 19.23 C ATOM 742 CG LYS B 98 -19.603 -10.563 -7.298 1.00 23.76 C ATOM 743 CD LYS B 98 -18.697 -10.958 -8.455 1.00 29.68 C ATOM 744 CE LYS B 98 -18.779 -12.487 -8.591 1.00 30.68 C ATOM 745 NZ LYS B 98 -20.206 -12.981 -8.814 1.00 35.17 N ATOM 746 HZ1 LYS B 98 -20.799 -12.699 -8.007 1.00 0.00 H ATOM 747 HZ2 LYS B 98 -20.584 -12.561 -9.687 1.00 0.00 H ATOM 748 HZ3 LYS B 98 -20.203 -14.018 -8.899 1.00 0.00 H ATOM 749 H LYS B 98 -19.553 -6.904 -5.801 1.00 0.00 H ATOM 750 N THR B 99 -21.307 -10.319 -4.276 1.00 13.10 N ATOM 751 CA THR B 99 -21.328 -11.058 -3.023 1.00 13.43 C ATOM 752 C THR B 99 -20.797 -12.464 -3.255 1.00 14.60 C ATOM 753 O THR B 99 -21.365 -13.163 -4.145 1.00 16.01 O ATOM 754 CB THR B 99 -22.783 -11.046 -2.483 1.00 14.97 C ATOM 755 OG1 THR B 99 -23.246 -9.691 -2.297 1.00 14.12 O ATOM 756 CG2 THR B 99 -22.939 -11.821 -1.147 1.00 13.16 C ATOM 757 HG1 THR B 99 -23.221 -9.213 -3.164 1.00 0.00 H ATOM 758 H THR B 99 -22.063 -10.537 -4.957 1.00 0.00 H ATOM 759 N THR B 100 -19.766 -12.886 -2.528 1.00 12.99 N ATOM 760 CA THR B 100 -19.309 -14.293 -2.661 1.00 15.63 C ATOM 761 C THR B 100 -19.215 -14.912 -1.315 1.00 14.74 C ATOM 762 O THR B 100 -18.547 -14.362 -0.431 1.00 15.33 O ATOM 763 CB THR B 100 -17.958 -14.305 -3.293 1.00 16.13 C ATOM 764 OG1 THR B 100 -18.007 -13.657 -4.581 1.00 21.53 O ATOM 765 CG2 THR B 100 -17.569 -15.832 -3.564 1.00 20.68 C ATOM 766 HG1 THR B 100 -18.304 -12.720 -4.466 1.00 0.00 H ATOM 767 H THR B 100 -19.285 -12.237 -1.873 1.00 0.00 H ATOM 768 N GLN B 101 -19.856 -16.012 -1.062 1.00 14.81 N ATOM 769 CA GLN B 101 -19.888 -16.641 0.243 1.00 16.26 C ATOM 770 C GLN B 101 -18.960 -17.830 0.206 1.00 18.57 C ATOM 771 O GLN B 101 -18.959 -18.631 -0.779 1.00 19.92 O ATOM 772 CB GLN B 101 -21.335 -17.123 0.598 1.00 18.14 C ATOM 773 CG GLN B 101 -21.508 -17.972 1.881 1.00 15.95 C ATOM 774 CD GLN B 101 -21.186 -17.232 3.143 1.00 18.97 C ATOM 775 OE1 GLN B 101 -21.416 -16.027 3.205 1.00 18.20 O ATOM 776 NE2 GLN B 101 -20.557 -17.914 4.122 1.00 15.86 N ATOM 777 HE22 GLN B 101 -20.387 -18.935 4.018 1.00 0.00 H ATOM 778 HE21 GLN B 101 -20.242 -17.419 4.981 1.00 0.00 H ATOM 779 H GLN B 101 -20.376 -16.467 -1.839 1.00 0.00 H ATOM 780 N ALA B 102 -18.217 -18.038 1.307 1.00 15.27 N ATOM 781 CA ALA B 102 -17.223 -19.132 1.338 1.00 16.99 C ATOM 782 C ALA B 102 -16.885 -19.494 2.758 1.00 15.21 C ATOM 783 O ALA B 102 -17.195 -18.767 3.669 1.00 14.03 O ATOM 784 CB ALA B 102 -15.986 -18.666 0.673 1.00 16.89 C ATOM 785 H ALA B 102 -18.342 -17.427 2.140 1.00 0.00 H ATOM 786 N ASN B 103 -16.354 -20.700 2.948 1.00 15.09 N ATOM 787 CA ASN B 103 -15.750 -21.101 4.248 1.00 13.17 C ATOM 788 C ASN B 103 -14.253 -21.067 4.117 1.00 15.59 C ATOM 789 O ASN B 103 -13.698 -21.875 3.293 1.00 19.84 O ATOM 790 CB ASN B 103 -16.196 -22.527 4.674 1.00 18.45 C ATOM 791 CG ASN B 103 -17.631 -22.595 5.100 1.00 23.55 C ATOM 792 OD1 ASN B 103 -18.135 -21.738 5.814 1.00 22.34 O ATOM 793 ND2 ASN B 103 -18.319 -23.682 4.715 1.00 26.66 N ATOM 794 HD22 ASN B 103 -17.867 -24.395 4.108 1.00 0.00 H ATOM 795 HD21 ASN B 103 -19.304 -23.810 5.024 1.00 0.00 H ATOM 796 H ASN B 103 -16.361 -21.383 2.164 1.00 0.00 H ATOM 797 N LYS B 104 -13.587 -20.178 4.780 1.00 14.77 N ATOM 798 CA LYS B 104 -12.171 -19.987 4.662 1.00 14.65 C ATOM 799 C LYS B 104 -11.524 -19.626 5.996 1.00 14.83 C ATOM 800 O LYS B 104 -12.186 -19.155 6.914 1.00 13.82 O ATOM 801 CB LYS B 104 -11.859 -18.842 3.749 1.00 20.67 C ATOM 802 CG LYS B 104 -12.161 -19.128 2.265 1.00 25.23 C ATOM 803 CD LYS B 104 -11.743 -17.884 1.479 1.00 28.85 C ATOM 804 CE LYS B 104 -12.905 -16.930 1.512 1.00 29.06 C ATOM 805 NZ LYS B 104 -12.883 -15.782 0.570 1.00 30.89 N ATOM 806 HZ1 LYS B 104 -12.044 -15.197 0.757 1.00 0.00 H ATOM 807 HZ2 LYS B 104 -12.848 -16.137 -0.407 1.00 0.00 H ATOM 808 HZ3 LYS B 104 -13.742 -15.210 0.702 1.00 0.00 H ATOM 809 H LYS B 104 -14.110 -19.565 5.438 1.00 0.00 H ATOM 810 N HIS B 105 -10.216 -19.882 6.161 1.00 13.13 N ATOM 811 CA HIS B 105 -9.517 -19.505 7.383 1.00 12.22 C ATOM 812 C HIS B 105 -9.413 -18.008 7.338 1.00 12.16 C ATOM 813 O HIS B 105 -9.234 -17.512 6.216 1.00 15.30 O ATOM 814 CB HIS B 105 -8.111 -20.137 7.396 1.00 14.40 C ATOM 815 CG HIS B 105 -8.111 -21.626 7.275 1.00 15.21 C ATOM 816 ND1 HIS B 105 -8.108 -22.289 6.045 1.00 16.47 N ATOM 817 CD2 HIS B 105 -8.143 -22.592 8.232 1.00 14.93 C ATOM 818 CE1 HIS B 105 -8.084 -23.603 6.289 1.00 17.92 C ATOM 819 NE2 HIS B 105 -8.151 -23.806 7.588 1.00 18.08 N ATOM 820 H HIS B 105 -9.691 -20.359 5.401 1.00 0.00 H ATOM 821 N ILE B 106 -9.419 -17.309 8.450 1.00 13.02 N ATOM 822 CA ILE B 106 -9.224 -15.904 8.425 1.00 12.58 C ATOM 823 C ILE B 106 -7.844 -15.495 9.000 1.00 12.37 C ATOM 824 O ILE B 106 -7.291 -16.273 9.830 1.00 12.19 O ATOM 825 CB ILE B 106 -10.339 -15.095 9.212 1.00 12.64 C ATOM 826 CG1 ILE B 106 -10.319 -15.379 10.722 1.00 12.59 C ATOM 827 CG2 ILE B 106 -11.733 -15.425 8.616 1.00 13.24 C ATOM 828 CD1 ILE B 106 -11.257 -14.378 11.554 1.00 12.39 C ATOM 829 H ILE B 106 -9.568 -17.791 9.359 1.00 0.00 H ATOM 830 N ILE B 107 -7.270 -14.398 8.567 1.00 11.74 N ATOM 831 CA ILE B 107 -6.051 -13.882 9.118 1.00 12.56 C ATOM 832 C ILE B 107 -6.348 -12.451 9.583 1.00 12.52 C ATOM 833 O ILE B 107 -6.835 -11.598 8.753 1.00 12.55 O ATOM 834 CB ILE B 107 -4.960 -13.937 8.071 1.00 12.40 C ATOM 835 CG1 ILE B 107 -4.742 -15.397 7.654 1.00 12.63 C ATOM 836 CG2 ILE B 107 -3.656 -13.406 8.607 1.00 12.28 C ATOM 837 CD1 ILE B 107 -3.961 -15.461 6.370 1.00 12.65 C ATOM 838 H ILE B 107 -7.720 -13.878 7.787 1.00 0.00 H ATOM 839 N VAL B 108 -6.099 -12.215 10.862 1.00 11.85 N ATOM 840 CA VAL B 108 -6.355 -10.904 11.490 1.00 12.47 C ATOM 841 C VAL B 108 -5.092 -10.360 12.084 1.00 13.99 C ATOM 842 O VAL B 108 -4.200 -11.180 12.519 1.00 15.85 O ATOM 843 CB VAL B 108 -7.483 -10.986 12.557 1.00 14.72 C ATOM 844 CG1 VAL B 108 -8.816 -11.333 11.893 1.00 15.38 C ATOM 845 CG2 VAL B 108 -7.102 -11.979 13.660 1.00 13.97 C ATOM 846 H VAL B 108 -5.708 -12.982 11.446 1.00 0.00 H ATOM 847 N ALA B 109 -4.926 -9.042 12.117 1.00 14.67 N ATOM 848 CA ALA B 109 -3.884 -8.383 12.917 1.00 14.86 C ATOM 849 C ALA B 109 -4.381 -8.053 14.258 1.00 14.83 C ATOM 850 O ALA B 109 -5.560 -7.567 14.346 1.00 14.62 O ATOM 851 CB ALA B 109 -3.489 -7.120 12.221 1.00 16.94 C ATOM 852 H ALA B 109 -5.564 -8.448 11.550 1.00 0.00 H ATOM 853 N CYS B 110 -3.610 -8.341 15.306 1.00 14.85 N ATOM 854 CA CYS B 110 -4.064 -8.050 16.674 1.00 14.32 C ATOM 855 C CYS B 110 -3.180 -7.032 17.369 1.00 17.03 C ATOM 856 O CYS B 110 -1.988 -6.946 17.123 1.00 18.50 O ATOM 857 CB CYS B 110 -4.141 -9.392 17.502 1.00 14.64 C ATOM 858 SG CYS B 110 -5.255 -10.594 16.620 1.00 14.85 S ATOM 859 H CYS B 110 -2.678 -8.776 15.155 1.00 0.00 H ATOM 860 N GLU B 111 -3.829 -6.336 18.304 1.00 17.50 N ATOM 861 CA GLU B 111 -3.150 -5.305 19.080 1.00 20.62 C ATOM 862 C GLU B 111 -3.886 -5.076 20.389 1.00 19.87 C ATOM 863 O GLU B 111 -5.120 -5.208 20.473 1.00 18.17 O ATOM 864 CB GLU B 111 -3.138 -3.971 18.299 1.00 21.88 C ATOM 865 CG GLU B 111 -2.392 -3.941 16.967 1.00 25.86 C ATOM 866 CD GLU B 111 -2.203 -2.533 16.381 1.00 27.59 C ATOM 867 OE1 GLU B 111 -2.465 -1.564 17.118 1.00 30.76 O ATOM 868 OE2 GLU B 111 -1.794 -2.393 15.183 1.00 32.54 O ATOM 869 H GLU B 111 -4.835 -6.532 18.482 1.00 0.00 H ATOM 870 N GLY B 112 -3.130 -4.625 21.397 1.00 23.28 N ATOM 871 CA GLY B 112 -3.747 -4.090 22.586 1.00 25.50 C ATOM 872 C GLY B 112 -3.715 -4.964 23.810 1.00 28.68 C ATOM 873 O GLY B 112 -3.298 -6.111 23.759 1.00 25.94 O ATOM 874 H GLY B 112 -2.093 -4.660 21.323 1.00 0.00 H ATOM 875 N ASN B 113 -4.245 -4.402 24.896 1.00 25.83 N ATOM 876 CA ASN B 113 -4.564 -5.095 26.095 1.00 27.80 C ATOM 877 C ASN B 113 -5.998 -4.722 26.452 1.00 25.64 C ATOM 878 O ASN B 113 -6.253 -3.576 26.968 1.00 28.89 O ATOM 879 CB ASN B 113 -3.632 -4.628 27.221 1.00 29.57 C ATOM 880 CG ASN B 113 -3.961 -5.291 28.547 1.00 40.22 C ATOM 881 OD1 ASN B 113 -4.214 -6.488 28.601 1.00 41.89 O ATOM 882 ND2 ASN B 113 -3.999 -4.493 29.629 1.00 48.71 N ATOM 883 HD22 ASN B 113 -3.777 -3.481 29.537 1.00 0.00 H ATOM 884 HD21 ASN B 113 -4.251 -4.888 30.558 1.00 0.00 H ATOM 885 H ASN B 113 -4.440 -3.381 24.864 1.00 0.00 H ATOM 886 N PRO B 114 -6.967 -5.611 26.188 1.00 22.35 N ATOM 887 CA PRO B 114 -6.777 -6.999 25.738 1.00 20.67 C ATOM 888 C PRO B 114 -6.321 -7.066 24.266 1.00 19.91 C ATOM 889 O PRO B 114 -6.455 -6.089 23.492 1.00 20.44 O ATOM 890 CB PRO B 114 -8.137 -7.612 25.880 1.00 20.16 C ATOM 891 CG PRO B 114 -9.097 -6.470 25.743 1.00 21.78 C ATOM 892 CD PRO B 114 -8.398 -5.302 26.407 1.00 22.08 C ATOM 893 N TYR B 115 -5.769 -8.217 23.883 1.00 19.09 N ATOM 894 CA TYR B 115 -5.080 -8.372 22.574 1.00 18.82 C ATOM 895 C TYR B 115 -6.131 -8.886 21.619 1.00 16.94 C ATOM 896 O TYR B 115 -6.587 -10.022 21.736 1.00 15.63 O ATOM 897 CB TYR B 115 -3.951 -9.375 22.687 1.00 17.54 C ATOM 898 CG TYR B 115 -2.974 -9.471 21.554 1.00 16.27 C ATOM 899 CD1 TYR B 115 -2.195 -8.388 21.141 1.00 15.56 C ATOM 900 CD2 TYR B 115 -2.772 -10.728 20.882 1.00 16.18 C ATOM 901 CE1 TYR B 115 -1.255 -8.502 20.138 1.00 18.47 C ATOM 902 CE2 TYR B 115 -1.801 -10.853 19.914 1.00 15.65 C ATOM 903 CZ TYR B 115 -1.060 -9.764 19.509 1.00 17.37 C ATOM 904 OH TYR B 115 -0.082 -9.733 18.603 1.00 21.02 O ATOM 905 HH TYR B 115 0.649 -10.337 18.887 1.00 0.00 H ATOM 906 H TYR B 115 -5.822 -9.036 24.522 1.00 0.00 H ATOM 907 N VAL B 116 -6.616 -7.952 20.782 1.00 15.85 N ATOM 908 CA VAL B 116 -7.821 -8.180 20.023 1.00 14.26 C ATOM 909 C VAL B 116 -7.628 -7.825 18.527 1.00 11.67 C ATOM 910 O VAL B 116 -6.703 -7.166 18.158 1.00 13.58 O ATOM 911 CB VAL B 116 -8.976 -7.361 20.640 1.00 15.57 C ATOM 912 CG1 VAL B 116 -9.347 -7.876 22.036 1.00 17.01 C ATOM 913 CG2 VAL B 116 -8.716 -5.832 20.579 1.00 15.79 C ATOM 914 H VAL B 116 -6.112 -7.048 20.680 1.00 0.00 H ATOM 915 N PRO B 117 -8.584 -8.276 17.693 1.00 12.53 N ATOM 916 CA PRO B 117 -8.415 -8.037 16.245 1.00 13.59 C ATOM 917 C PRO B 117 -8.563 -6.504 15.940 1.00 13.02 C ATOM 918 O PRO B 117 -9.571 -5.855 16.423 1.00 13.43 O ATOM 919 CB PRO B 117 -9.528 -8.870 15.593 1.00 13.54 C ATOM 920 CG PRO B 117 -9.958 -9.872 16.650 1.00 13.40 C ATOM 921 CD PRO B 117 -9.669 -9.175 17.980 1.00 12.98 C ATOM 922 N VAL B 118 -7.629 -5.983 15.134 1.00 14.22 N ATOM 923 CA VAL B 118 -7.773 -4.556 14.695 1.00 14.93 C ATOM 924 C VAL B 118 -7.754 -4.413 13.199 1.00 19.32 C ATOM 925 O VAL B 118 -8.047 -3.321 12.673 1.00 18.94 O ATOM 926 CB VAL B 118 -6.707 -3.680 15.401 1.00 16.42 C ATOM 927 CG1 VAL B 118 -7.010 -3.549 16.894 1.00 17.30 C ATOM 928 CG2 VAL B 118 -5.269 -4.197 15.137 1.00 16.84 C ATOM 929 H VAL B 118 -6.820 -6.556 14.819 1.00 0.00 H ATOM 930 N HIS B 119 -7.447 -5.460 12.429 1.00 17.26 N ATOM 931 CA HIS B 119 -7.496 -5.399 10.973 1.00 17.13 C ATOM 932 C HIS B 119 -7.739 -6.744 10.448 1.00 15.93 C ATOM 933 O HIS B 119 -7.396 -7.775 11.072 1.00 13.88 O ATOM 934 CB HIS B 119 -6.169 -4.973 10.337 1.00 18.18 C ATOM 935 CG HIS B 119 -5.751 -3.606 10.693 1.00 21.73 C ATOM 936 ND1 HIS B 119 -6.512 -2.480 10.372 1.00 22.30 N ATOM 937 CD2 HIS B 119 -4.616 -3.149 11.291 1.00 28.29 C ATOM 938 CE1 HIS B 119 -5.889 -1.410 10.846 1.00 28.69 C ATOM 939 NE2 HIS B 119 -4.739 -1.784 11.388 1.00 28.30 N ATOM 940 H HIS B 119 -7.163 -6.351 12.884 1.00 0.00 H ATOM 941 N PHE B 120 -8.480 -6.771 9.356 1.00 15.62 N ATOM 942 CA PHE B 120 -8.742 -8.040 8.661 1.00 15.31 C ATOM 943 C PHE B 120 -7.766 -8.179 7.512 1.00 17.47 C ATOM 944 O PHE B 120 -7.804 -7.362 6.561 1.00 20.09 O ATOM 945 CB PHE B 120 -10.205 -8.103 8.176 1.00 13.99 C ATOM 946 CG PHE B 120 -10.606 -9.462 7.632 1.00 14.04 C ATOM 947 CD1 PHE B 120 -11.211 -10.412 8.433 1.00 14.67 C ATOM 948 CD2 PHE B 120 -10.294 -9.817 6.318 1.00 15.60 C ATOM 949 CE1 PHE B 120 -11.494 -11.662 7.925 1.00 17.73 C ATOM 950 CE2 PHE B 120 -10.570 -11.072 5.800 1.00 15.22 C ATOM 951 CZ PHE B 120 -11.169 -11.984 6.599 1.00 16.72 C ATOM 952 H PHE B 120 -8.882 -5.887 8.984 1.00 0.00 H ATOM 953 N ASP B 121 -6.756 -9.064 7.639 1.00 16.37 N ATOM 954 CA ASP B 121 -5.660 -9.120 6.673 1.00 18.82 C ATOM 955 C ASP B 121 -6.043 -9.862 5.428 1.00 20.21 C ATOM 956 O ASP B 121 -5.791 -9.346 4.340 1.00 21.06 O ATOM 957 CB ASP B 121 -4.397 -9.773 7.285 1.00 19.06 C ATOM 958 CG ASP B 121 -3.047 -9.328 6.583 1.00 25.09 C ATOM 959 OD1 ASP B 121 -2.710 -8.138 6.558 1.00 32.00 O ATOM 960 OD2 ASP B 121 -2.277 -10.174 6.095 1.00 26.13 O ATOM 961 H ASP B 121 -6.757 -9.723 8.444 1.00 0.00 H ATOM 962 N ALA B 122 -6.663 -11.031 5.542 1.00 17.30 N ATOM 963 CA ALA B 122 -6.924 -11.924 4.428 1.00 16.02 C ATOM 964 C ALA B 122 -7.754 -13.109 4.850 1.00 14.97 C ATOM 965 O ALA B 122 -7.976 -13.310 6.020 1.00 14.26 O ATOM 966 CB ALA B 122 -5.601 -12.412 3.835 1.00 18.47 C ATOM 967 H ALA B 122 -6.981 -11.325 6.488 1.00 0.00 H ATOM 968 N SER B 123 -8.248 -13.876 3.906 1.00 17.40 N ATOM 969 CA SER B 123 -8.730 -15.201 4.172 1.00 18.14 C ATOM 970 C SER B 123 -8.147 -16.169 3.177 1.00 20.90 C ATOM 971 O SER B 123 -7.763 -15.783 2.076 1.00 26.94 O ATOM 972 CB SER B 123 -10.274 -15.256 4.201 1.00 17.02 C ATOM 973 OG SER B 123 -10.768 -14.930 2.956 1.00 20.07 O ATOM 974 HG SER B 123 -10.474 -14.016 2.715 1.00 0.00 H ATOM 975 H SER B 123 -8.291 -13.511 2.933 1.00 0.00 H ATOM 976 N VAL B 124 -8.038 -17.434 3.603 1.00 21.58 N ATOM 977 CA VAL B 124 -7.429 -18.435 2.755 1.00 21.36 C ATOM 978 C VAL B 124 -8.236 -19.701 2.909 1.00 24.33 C ATOM 979 O VAL B 124 -8.472 -20.202 4.016 1.00 18.64 O ATOM 980 CB VAL B 124 -5.911 -18.673 3.110 1.00 22.53 C ATOM 981 CG1 VAL B 124 -5.036 -17.480 2.718 1.00 24.08 C ATOM 982 CG2 VAL B 124 -5.729 -18.964 4.593 1.00 20.91 C ATOM 983 OXT VAL B 124 -8.612 -20.289 1.890 1.00 28.42 O ATOM 984 H VAL B 124 -8.392 -17.697 4.545 1.00 0.00 H TER 985 VAL B 124 HETATM 986 O HOH 1 -18.211 -1.078 16.372 1.00 18.27 O HETATM 987 O HOH 2 -15.103 2.794 20.079 1.00 20.24 O HETATM 988 O HOH 3 -8.657 -0.828 19.882 1.00 18.00 O HETATM 989 O HOH 4 -15.414 5.273 21.376 1.00 19.75 O HETATM 990 O HOH 5 -18.518 1.684 16.082 1.00 17.21 O HETATM 991 O HOH 6 -24.408 -8.851 13.101 1.00 19.10 O HETATM 992 O HOH 7 -22.201 -16.921 14.477 1.00 25.98 O HETATM 993 O HOH 8 -11.280 6.112 21.601 1.00 35.51 O HETATM 994 O HOH 9 -25.365 -10.880 14.668 1.00 23.65 O HETATM 995 O HOH 10 -16.341 8.655 18.506 1.00 28.19 O HETATM 996 O HOH 11 -24.430 -16.483 11.470 1.00 36.70 O HETATM 997 O HOH 12 -26.364 -14.908 14.333 1.00 32.14 O HETATM 998 O HOH 13 -26.838 -8.797 10.697 1.00 27.59 O HETATM 999 O HOH 14 -14.013 7.975 22.693 1.00 42.74 O HETATM 1000 O HOH 15 -22.835 -16.190 17.159 1.00 34.12 O HETATM 1001 O HOH 16 -10.324 -0.874 22.271 1.00 26.52 O HETATM 1002 O HOH 17 -21.177 -12.174 18.517 1.00 23.16 O HETATM 1003 O HOH 18 -23.131 -14.281 18.616 1.00 21.93 O HETATM 1004 O HOH 19 -13.004 -0.707 21.861 1.00 26.31 O HETATM 1005 O HOH 20 -19.333 -18.035 20.938 1.00 27.90 O HETATM 1006 O HOH 21 -24.721 3.437 9.481 1.00 14.29 O HETATM 1007 O HOH 22 -9.486 -27.280 10.651 1.00 25.72 O HETATM 1008 O HOH 23 -15.404 -21.127 13.706 1.00 30.20 O HETATM 1009 O HOH 24 -19.396 -13.646 21.248 1.00 16.85 O HETATM 1010 O HOH 25 -12.344 -7.162 19.974 1.00 15.05 O HETATM 1011 O HOH 26 -12.098 -6.155 17.431 1.00 12.63 O HETATM 1012 O HOH 27 -17.357 -11.037 -4.149 1.00 18.02 O HETATM 1013 O HOH 28 -18.626 9.156 -8.153 1.00 14.26 O HETATM 1014 O HOH 29 -16.329 8.408 -7.120 1.00 22.02 O HETATM 1015 O HOH 30 -18.885 -18.871 16.062 1.00 19.31 O HETATM 1016 O HOH 31 -14.068 2.443 -5.453 1.00 21.27 O HETATM 1017 O HOH 32 -11.767 -19.393 16.933 1.00 13.20 O HETATM 1018 O HOH 33 1.656 -19.179 16.969 1.00 22.58 O HETATM 1019 O HOH 34 -19.691 5.275 5.066 1.00 15.52 O HETATM 1020 O HOH 35 -24.089 -9.202 -4.933 1.00 18.94 O HETATM 1021 O HOH 36 -16.850 5.947 -5.826 1.00 17.26 O HETATM 1022 O HOH 37 -15.930 3.761 -7.188 1.00 20.37 O HETATM 1023 O HOH 38 -0.744 -6.320 6.467 1.00 25.49 O HETATM 1024 O HOH 39 -10.057 -21.451 14.343 1.00 16.45 O HETATM 1025 O HOH 40 -23.438 -0.277 -0.361 1.00 17.84 O HETATM 1026 O HOH 41 -5.077 -22.377 9.169 1.00 23.95 O HETATM 1027 O HOH 42 -11.278 -1.765 0.180 1.00 18.83 O HETATM 1028 O HOH 43 -5.575 -24.922 9.583 1.00 20.34 O HETATM 1029 O HOH 44 -21.278 -17.193 -3.283 1.00 23.14 O HETATM 1030 O HOH 45 -6.894 -2.827 20.636 1.00 22.19 O HETATM 1031 O HOH 46 -21.918 9.112 -9.514 1.00 18.84 O HETATM 1032 O HOH 47 -28.256 -0.431 -2.937 1.00 40.42 O HETATM 1033 O HOH 48 -21.103 8.333 7.096 1.00 20.98 O HETATM 1034 O HOH 49 -8.870 -11.234 21.315 1.00 22.39 O HETATM 1035 O HOH 50 -9.454 -1.120 12.829 1.00 22.45 O HETATM 1036 O HOH 51 -27.525 -1.137 10.820 1.00 19.95 O HETATM 1037 O HOH 52 -16.453 -10.843 23.317 1.00 23.39 O HETATM 1038 O HOH 53 -12.567 -3.209 4.490 1.00 28.53 O HETATM 1039 O HOH 54 -7.682 -3.627 23.209 1.00 20.13 O HETATM 1040 O HOH 55 -1.559 -3.927 5.178 1.00 43.42 O HETATM 1041 O HOH 56 -26.017 -3.591 -7.091 1.00 28.24 O HETATM 1042 O HOH 57 -28.391 -7.415 5.716 1.00 34.18 O HETATM 1043 O HOH 58 -15.704 0.539 -9.318 1.00 23.29 O HETATM 1044 O HOH 59 -10.652 -3.470 10.733 1.00 19.51 O HETATM 1045 O HOH 60 -22.466 2.624 -9.724 1.00 25.89 O HETATM 1046 O HOH 61 -29.298 -8.106 2.977 1.00 28.67 O HETATM 1047 O HOH 62 -16.028 6.335 -3.166 1.00 21.42 O HETATM 1048 O HOH 63 -28.310 -4.566 6.820 1.00 34.78 O HETATM 1049 O HOH 64 -3.713 -21.900 11.405 1.00 26.83 O HETATM 1050 O HOH 65 -18.898 -12.031 23.045 1.00 33.26 O HETATM 1051 O HOH 66 -15.673 -24.584 9.784 1.00 29.88 O HETATM 1052 O HOH 67 2.495 -8.560 0.944 1.00 33.89 O HETATM 1053 O HOH 68 -24.665 1.550 -2.043 1.00 34.45 O HETATM 1054 O HOH 69 -31.131 -7.555 1.404 1.00 32.36 O HETATM 1055 O HOH 70 -12.068 3.134 0.326 1.00 29.98 O HETATM 1056 O HOH 71 -17.433 10.698 6.825 1.00 32.87 O HETATM 1057 O HOH 72 -5.536 -10.252 26.055 1.00 32.20 O HETATM 1058 O HOH 73 -28.697 -0.786 4.151 1.00 30.53 O HETATM 1059 O HOH 74 -3.128 -25.315 10.160 1.00 27.69 O HETATM 1060 O HOH 75 -24.419 -5.374 -7.533 1.00 32.72 O HETATM 1061 O HOH 76 -13.957 -10.116 25.281 1.00 24.58 O HETATM 1062 O HOH 77 -20.068 -20.836 3.688 1.00 29.11 O HETATM 1063 O HOH 78 -12.275 -26.062 9.653 1.00 15.86 O HETATM 1064 O HOH 79 2.436 -14.047 18.747 1.00 33.70 O HETATM 1065 O HOH 80 -27.063 4.016 -3.046 1.00 41.64 O HETATM 1066 O HOH 81 -20.609 -3.663 -13.890 1.00 45.73 O HETATM 1067 O HOH 82 -16.806 4.678 6.776 1.00 36.54 O HETATM 1068 O HOH 83 -12.509 -21.665 0.000 1.00 36.22 O HETATM 1069 O HOH 84 -22.699 -2.647 -11.103 1.00 37.98 O HETATM 1070 O HOH 85 -14.358 -10.782 -4.631 1.00 26.68 O HETATM 1071 O HOH 86 -9.977 -5.717 5.096 1.00 33.42 O HETATM 1072 O HOH 87 -11.925 4.144 2.900 1.00 37.49 O HETATM 1073 O HOH 88 -23.306 6.255 -8.927 1.00 33.70 O HETATM 1074 O HOH 89 -15.768 3.359 4.818 1.00 31.08 O HETATM 1075 O HOH 90 -8.643 -22.985 2.962 1.00 37.17 O HETATM 1076 O HOH 91 -11.398 -12.494 2.485 1.00 29.13 O HETATM 1077 O HOH 92 -21.619 3.664 -12.991 1.00 36.26 O HETATM 1078 O HOH 93 -7.299 -1.428 24.789 1.00 41.13 O HETATM 1079 O HOH 94 -13.248 2.786 4.678 1.00 39.84 O HETATM 1080 O HOH 95 -1.633 -5.357 9.114 1.00 37.31 O HETATM 1081 O HOH 96 -8.680 1.074 12.101 1.00 39.11 O HETATM 1082 O HOH 97 -2.274 -2.540 8.433 1.00 34.23 O HETATM 1083 O HOH 98 -9.372 0.861 24.112 1.00 39.11 O HETATM 1084 O HOH 99 -14.205 -25.802 5.469 1.00 37.90 O HETATM 1085 O HOH 100 -12.557 -10.274 -2.997 1.00 41.16 O HETATM 1086 O HOH 101 6.170 -16.504 15.933 1.00 28.89 O HETATM 1087 O HOH 102 -0.203 -5.362 11.064 1.00 31.15 O HETATM 1088 O HOH 103 2.282 -16.955 18.773 1.00 30.43 O HETATM 1089 O HOH 104 -23.922 5.056 -11.409 1.00 46.18 O HETATM 1090 O HOH 105 -24.084 4.883 -0.878 1.00 26.69 O HETATM 1091 O HOH 106 -26.796 4.658 -11.020 1.00 50.25 O HETATM 1092 O HOH 107 -11.993 -6.931 4.390 1.00 17.09 O HETATM 1093 O HOH 108 -29.765 -1.091 9.567 1.00 23.95 O HETATM 1094 O HOH 109 7.588 -10.933 7.812 1.00 36.58 O HETATM 1095 O HOH 110 -1.334 -14.538 20.975 1.00 26.63 O HETATM 1096 O HOH 111 5.920 -5.635 13.450 1.00 34.22 O HETATM 1097 O HOH 112 -22.895 -11.445 -6.631 1.00 33.22 O HETATM 1098 O HOH 113 -23.354 0.532 -11.016 1.00 36.86 O HETATM 1099 O HOH 114 -11.050 2.342 5.695 1.00 38.30 O HETATM 1100 O HOH 115 -25.487 8.085 2.196 1.00 29.78 O HETATM 1101 O HOH 116 -12.566 -27.093 6.938 1.00 34.28 O HETATM 1102 O HOH 117 4.309 -19.157 12.786 1.00 36.09 O HETATM 1103 O HOH 118 -3.971 -6.319 8.214 1.00 31.18 O HETATM 1104 O HOH 119 -2.430 -24.016 12.234 1.00 27.92 O HETATM 1105 O HOH 120 -12.209 -5.192 22.122 1.00 20.47 O HETATM 1106 O HOH 121 -12.516 -6.862 24.340 1.00 20.37 O HETATM 1107 O HOH 122 -11.253 -9.190 25.033 1.00 29.19 O HETATM 1108 O HOH 123 -10.138 -11.364 23.923 1.00 24.16 O HETATM 1109 O HOH 124 -27.155 7.259 4.133 1.00 34.10 O HETATM 1110 O HOH 125 -11.434 -3.744 25.699 1.00 35.03 O HETATM 1111 O HOH 126 -10.328 -3.459 23.233 1.00 21.83 O HETATM 1112 O HOH 127 -0.478 -17.626 19.203 1.00 34.12 O HETATM 1113 O HOH 128 -20.194 -15.977 22.293 1.00 33.56 O HETATM 1114 O HOH 129 -22.397 -20.645 6.064 1.00 46.02 O HETATM 1115 O HOH 130 -19.091 -20.541 19.908 1.00 33.42 O HETATM 1116 O HOH 131 -12.035 -27.484 10.798 1.00 25.25 O HETATM 1117 O HOH 132 -11.112 -26.072 8.553 1.00 20.09 O HETATM 1118 O HOH 133 -9.955 -26.632 5.039 1.00 40.83 O HETATM 1119 O HOH 134 -21.362 -19.896 17.081 1.00 45.54 O HETATM 1120 O HOH 135 4.699 -20.003 17.391 1.00 41.15 O HETATM 1121 O HOH 136 -1.699 -3.834 13.140 1.00 30.38 O HETATM 1122 O HOH 137 -29.740 0.305 7.187 1.00 43.51 O HETATM 1123 O HOH 138 -22.329 -18.980 10.709 1.00 27.90 O HETATM 1124 O HOH 139 -22.841 -19.101 8.137 1.00 31.18 O HETATM 1125 N LYS A 140 -13.915 9.362 19.484 1.00 0.24 N HETATM 1126 CA LYS A 140 -13.105 8.521 18.572 1.00 0.07 C HETATM 1127 C LYS A 140 -13.524 7.014 18.677 1.00 0.23 C HETATM 1128 O LYS A 140 -13.696 6.460 19.778 1.00 -0.39 O HETATM 1129 N LYS A 140 -13.758 6.406 17.530 1.00 -0.26 N HETATM 1130 CA LYS A 140 -13.992 4.961 17.485 1.00 0.13 C HETATM 1131 C LYS A 140 -12.636 4.283 17.673 1.00 0.20 C HETATM 1132 O LYS A 140 -11.682 4.690 17.046 1.00 -0.39 O HETATM 1133 N LYS A 140 -12.570 3.254 18.515 1.00 -0.26 N HETATM 1134 CA LYS A 140 -11.276 2.572 18.665 1.00 0.16 C HETATM 1135 C LYS A 140 -11.008 1.670 17.447 1.00 0.21 C HETATM 1136 O LYS A 140 -11.919 1.332 16.682 1.00 -0.39 O HETATM 1137 N LYS A 140 -9.781 1.202 17.308 1.00 -0.26 N HETATM 1138 CA LYS A 140 -9.421 0.242 16.189 1.00 0.13 C HETATM 1139 C LYS A 140 -10.177 -1.069 16.392 1.00 0.20 C HETATM 1140 O LYS A 140 -10.715 -1.617 15.411 1.00 -0.39 O HETATM 1141 N LYS A 140 -10.394 -1.501 17.622 1.00 -0.26 N HETATM 1142 CA LYS A 140 -11.118 -2.754 17.814 1.00 0.13 C HETATM 1143 C LYS A 140 -12.555 -2.609 17.403 1.00 0.20 C HETATM 1144 O LYS A 140 -13.212 -3.502 16.862 1.00 -0.39 O HETATM 1145 N LYS A 140 -13.155 -1.445 17.737 1.00 -0.26 N HETATM 1146 CA LYS A 140 -14.547 -1.228 17.334 1.00 0.13 C HETATM 1147 C LYS A 140 -14.719 -1.059 15.821 1.00 0.20 C HETATM 1148 O LYS A 140 -15.677 -1.583 15.261 1.00 -0.39 O HETATM 1149 N LYS A 140 -13.741 -0.389 15.230 1.00 -0.26 N HETATM 1150 CA LYS A 140 -13.760 -0.291 13.767 1.00 0.14 C HETATM 1151 C LYS A 140 -13.849 -1.666 13.079 1.00 0.21 C HETATM 1152 O LYS A 140 -14.554 -1.976 12.145 1.00 -0.39 O HETATM 1153 N LYS A 140 -12.858 -2.544 13.621 1.00 -0.26 N HETATM 1154 CA LYS A 140 -12.827 -3.918 13.010 1.00 0.14 C HETATM 1155 C LYS A 140 -14.175 -4.590 13.171 1.00 0.21 C HETATM 1156 O LYS A 140 -14.631 -5.266 12.275 1.00 -0.39 O HETATM 1157 N LYS A 140 -14.812 -4.460 14.329 1.00 -0.26 N HETATM 1158 CA LYS A 140 -16.090 -5.132 14.544 1.00 0.13 C HETATM 1159 C LYS A 140 -17.193 -4.630 13.612 1.00 0.20 C HETATM 1160 O LYS A 140 -17.967 -5.362 12.960 1.00 -0.39 O HETATM 1161 N LYS A 140 -17.254 -3.293 13.524 1.00 -0.26 N HETATM 1162 CA LYS A 140 -18.289 -2.732 12.662 1.00 0.13 C HETATM 1163 C LYS A 140 -18.089 -3.136 11.155 1.00 0.20 C HETATM 1164 O LYS A 140 -19.045 -3.357 10.470 1.00 -0.39 O HETATM 1165 N LYS A 140 -16.787 -3.067 10.790 1.00 -0.26 N HETATM 1166 CA LYS A 140 -16.475 -3.517 9.377 1.00 0.14 C HETATM 1167 C LYS A 140 -16.600 -4.994 9.093 1.00 0.21 C HETATM 1168 O LYS A 140 -16.939 -5.414 7.973 1.00 -0.39 O HETATM 1169 N LYS A 140 -16.298 -5.848 10.139 1.00 -0.26 N HETATM 1170 CA LYS A 140 -16.074 -7.292 9.770 1.00 0.14 C HETATM 1171 C LYS A 140 -16.881 -8.269 10.522 1.00 0.21 C HETATM 1172 O LYS A 140 -16.744 -9.460 10.117 1.00 -0.39 O HETATM 1173 N LYS A 140 -17.642 -7.947 11.563 1.00 -0.26 N HETATM 1174 CA LYS A 140 -18.363 -8.968 12.247 1.00 0.13 C HETATM 1175 C LYS A 140 -19.780 -9.025 11.867 1.00 0.20 C HETATM 1176 O LYS A 140 -20.483 -7.950 11.891 1.00 -0.39 O HETATM 1177 N LYS A 140 -20.354 -10.169 11.548 1.00 -0.26 N HETATM 1178 CA LYS A 140 -21.789 -10.328 11.373 1.00 0.14 C HETATM 1179 C LYS A 140 -22.185 -11.693 11.876 1.00 0.21 C HETATM 1180 O LYS A 140 -22.481 -12.572 11.062 1.00 -0.39 O HETATM 1181 N LYS A 140 -22.215 -11.870 13.180 1.00 -0.27 N HETATM 1182 CA LYS A 140 -22.404 -13.156 13.789 1.00 0.12 C HETATM 1183 C LYS A 140 -23.701 -13.741 13.427 1.00 0.06 C HETATM 1184 O LYS A 140 -24.745 -13.046 13.424 1.00 -0.57 O HETATM 1185 OXT LYS A 140 -23.634 -15.005 13.119 1.00 -0.57 O HETATM 1186 CB LYS A 140 -22.261 -12.994 15.327 1.00 0.08 C HETATM 1187 OG LYS A 140 -21.028 -12.399 15.712 1.00 -0.39 O HETATM 1188 H LYS A 140 -20.308 -12.941 15.411 1.00 0.21 H HETATM 1189 H LYS A 140 -22.330 -13.989 15.792 1.00 0.06 H HETATM 1190 H LYS A 140 -23.084 -12.361 15.691 1.00 0.06 H HETATM 1191 H LYS A 140 -21.614 -13.833 13.432 1.00 0.07 H HETATM 1192 H LYS A 140 -22.101 -11.073 13.773 1.00 0.19 H HETATM 1193 CB LYS A 140 -22.213 -10.120 9.894 1.00 0.04 C HETATM 1194 CG LYS A 140 -23.730 -10.212 9.674 1.00 0.04 C HETATM 1195 OD1 LYS A 140 -24.441 -10.014 10.625 1.00 -0.57 O HETATM 1196 OD2 LYS A 140 -24.060 -10.521 8.525 1.00 -0.57 O HETATM 1197 H LYS A 140 -21.725 -10.891 9.280 1.00 0.05 H HETATM 1198 H LYS A 140 -21.874 -9.125 9.571 1.00 0.05 H HETATM 1199 H LYS A 140 -22.301 -9.569 11.982 1.00 0.08 H HETATM 1200 H LYS A 140 -19.770 -10.971 11.419 1.00 0.19 H HETATM 1201 CB LYS A 140 -18.324 -8.702 13.793 1.00 -0.01 C HETATM 1202 CG LYS A 140 -16.999 -8.951 14.477 1.00 -0.05 C HETATM 1203 CD LYS A 140 -16.579 -10.411 14.325 1.00 -0.06 C HETATM 1204 CE LYS A 140 -17.666 -11.398 14.688 1.00 -0.07 C HETATM 1205 H LYS A 140 -17.290 -12.423 14.554 1.00 0.02 H HETATM 1206 H LYS A 140 -18.538 -11.239 14.037 1.00 0.02 H HETATM 1207 H LYS A 140 -17.960 -11.250 15.738 1.00 0.02 H HETATM 1208 H LYS A 140 -15.713 -10.593 14.978 1.00 0.03 H HETATM 1209 H LYS A 140 -16.291 -10.582 13.277 1.00 0.03 H HETATM 1210 H LYS A 140 -17.094 -8.712 15.546 1.00 0.03 H HETATM 1211 H LYS A 140 -16.232 -8.306 14.024 1.00 0.03 H HETATM 1212 H LYS A 140 -19.074 -9.354 14.265 1.00 0.03 H HETATM 1213 H LYS A 140 -18.596 -7.649 13.960 1.00 0.03 H HETATM 1214 H LYS A 140 -17.892 -9.937 12.024 1.00 0.08 H HETATM 1215 H LYS A 140 -17.708 -6.996 11.864 1.00 0.19 H HETATM 1216 CB LYS A 140 -14.581 -7.608 9.893 1.00 0.01 C HETATM 1217 CG LYS A 140 -13.708 -6.744 9.079 1.00 -0.00 C HETATM 1218 ND1 LYS A 140 -13.726 -6.764 7.703 1.00 -0.33 N HETATM 1219 CE1 LYS A 140 -12.872 -5.861 7.238 1.00 0.09 C HETATM 1220 NE2 LYS A 140 -12.262 -5.286 8.273 1.00 -0.28 N HETATM 1221 CD2 LYS A 140 -12.797 -5.795 9.431 1.00 0.03 C HETATM 1222 H LYS A 140 -12.540 -5.495 10.446 1.00 0.07 H HETATM 1223 H LYS A 140 -11.515 -4.579 8.215 1.00 0.24 H HETATM 1224 H LYS A 140 -12.699 -5.629 6.188 1.00 0.12 H HETATM 1225 H LYS A 140 -14.423 -8.650 9.579 1.00 0.04 H HETATM 1226 H LYS A 140 -14.291 -7.494 10.948 1.00 0.04 H HETATM 1227 H LYS A 140 -16.356 -7.400 8.712 1.00 0.08 H HETATM 1228 H LYS A 140 -16.232 -5.526 11.084 1.00 0.19 H HETATM 1229 CB LYS A 140 -15.018 -3.142 9.023 1.00 0.03 C HETATM 1230 C6 LYS A 140 -14.952 -1.713 8.557 1.00 -0.01 C HETATM 1231 C7 LYS A 140 -14.311 -1.551 7.364 1.00 0.01 C HETATM 1232 N8 LYS A 140 -14.207 -0.307 6.797 1.00 -0.30 N HETATM 1233 C9 LYS A 140 -14.619 0.811 7.453 1.00 0.00 C HETATM 1234 C10 LYS A 140 -15.222 0.649 8.719 1.00 -0.04 C HETATM 1235 C11 LYS A 140 -15.426 -0.642 9.320 1.00 -0.04 C HETATM 1236 H LYS A 140 -15.906 -0.773 10.283 1.00 0.07 H HETATM 1237 H LYS A 140 -15.544 1.532 9.259 1.00 0.07 H HETATM 1238 H LYS A 140 -14.489 1.795 7.018 1.00 0.08 H HETATM 1239 H LYS A 140 -13.882 -2.410 6.862 1.00 0.08 H HETATM 1240 H LYS A 140 -14.656 -3.803 8.222 1.00 0.05 H HETATM 1241 H LYS A 140 -14.384 -3.264 9.914 1.00 0.05 H HETATM 1242 H LYS A 140 -17.163 -2.983 8.705 1.00 0.08 H HETATM 1243 H LYS A 140 -16.076 -2.740 11.413 1.00 0.19 H HETATM 1244 CB LYS A 140 -18.212 -1.181 12.856 1.00 -0.01 C HETATM 1245 CG LYS A 140 -19.174 -0.440 11.954 1.00 -0.02 C HETATM 1246 CD LYS A 140 -19.152 1.084 12.236 1.00 0.06 C HETATM 1247 NE LYS A 140 -17.857 1.734 12.141 1.00 -0.27 N HETATM 1248 CZ LYS A 140 -17.399 2.365 11.076 1.00 0.29 C HETATM 1249 NH1 LYS A 140 -18.162 2.367 9.967 1.00 -0.28 N HETATM 1250 H LYS A 140 -17.835 2.850 9.118 1.00 0.26 H HETATM 1251 H LYS A 140 -19.073 1.886 9.967 1.00 0.26 H HETATM 1252 NH2 LYS A 140 -16.246 3.029 11.081 1.00 -0.28 N HETATM 1253 H LYS A 140 -15.657 3.032 11.926 1.00 0.26 H HETATM 1254 H LYS A 140 -15.942 3.540 10.240 1.00 0.26 H HETATM 1255 H LYS A 140 -17.247 1.700 12.971 1.00 0.26 H HETATM 1256 H LYS A 140 -19.533 1.242 13.256 1.00 0.07 H HETATM 1257 H LYS A 140 -19.825 1.569 11.514 1.00 0.07 H HETATM 1258 H LYS A 140 -20.192 -0.821 12.125 1.00 0.03 H HETATM 1259 H LYS A 140 -18.889 -0.614 10.906 1.00 0.03 H HETATM 1260 H LYS A 140 -17.188 -0.847 12.631 1.00 0.03 H HETATM 1261 H LYS A 140 -18.454 -0.943 13.902 1.00 0.03 H HETATM 1262 H LYS A 140 -19.274 -3.095 12.989 1.00 0.08 H HETATM 1263 H LYS A 140 -16.619 -2.707 14.027 1.00 0.19 H HETATM 1264 CB LYS A 140 -16.579 -5.021 16.015 1.00 -0.00 C HETATM 1265 CG LYS A 140 -15.640 -5.787 16.940 1.00 0.00 C HETATM 1266 CD LYS A 140 -15.767 -5.336 18.371 1.00 0.04 C HETATM 1267 OE1 LYS A 140 -16.209 -4.194 18.678 1.00 -0.57 O HETATM 1268 OE2 LYS A 140 -15.201 -6.066 19.219 1.00 -0.57 O HETATM 1269 H LYS A 140 -14.604 -5.626 16.607 1.00 0.04 H HETATM 1270 H LYS A 140 -15.881 -6.859 16.883 1.00 0.04 H HETATM 1271 H LYS A 140 -17.592 -5.443 16.094 1.00 0.03 H HETATM 1272 H LYS A 140 -16.599 -3.962 16.313 1.00 0.03 H HETATM 1273 H LYS A 140 -15.931 -6.198 14.325 1.00 0.08 H HETATM 1274 H LYS A 140 -14.415 -3.900 15.056 1.00 0.19 H HETATM 1275 CB LYS A 140 -11.752 -4.712 13.811 1.00 0.02 C HETATM 1276 CG LYS A 140 -11.732 -6.206 13.436 1.00 -0.04 C HETATM 1277 CD1 LYS A 140 -12.591 -7.066 14.074 1.00 -0.06 C HETATM 1278 CE1 LYS A 140 -12.649 -8.427 13.700 1.00 -0.07 C HETATM 1279 CZ LYS A 140 -11.803 -8.872 12.676 1.00 -0.07 C HETATM 1280 CE2 LYS A 140 -10.942 -8.013 12.049 1.00 -0.07 C HETATM 1281 CD2 LYS A 140 -10.883 -6.659 12.395 1.00 -0.06 C HETATM 1282 H LYS A 140 -10.211 -5.979 11.884 1.00 0.06 H HETATM 1283 H LYS A 140 -10.292 -8.390 11.268 1.00 0.06 H HETATM 1284 H LYS A 140 -11.831 -9.913 12.376 1.00 0.06 H HETATM 1285 H LYS A 140 -13.331 -9.110 14.193 1.00 0.06 H HETATM 1286 H LYS A 140 -13.229 -6.698 14.870 1.00 0.06 H HETATM 1287 H LYS A 140 -11.971 -4.619 14.885 1.00 0.05 H HETATM 1288 H LYS A 140 -10.762 -4.281 13.600 1.00 0.05 H HETATM 1289 H LYS A 140 -12.560 -3.864 11.944 1.00 0.08 H HETATM 1290 H LYS A 140 -12.233 -2.265 14.351 1.00 0.19 H HETATM 1291 CB LYS A 140 -12.614 0.563 13.334 1.00 0.03 C HETATM 1292 C6 LYS A 140 -12.398 0.797 11.867 1.00 -0.01 C HETATM 1293 C7 LYS A 140 -11.910 -0.233 11.025 1.00 0.01 C HETATM 1294 N8 LYS A 140 -11.729 -0.029 9.720 1.00 -0.30 N HETATM 1295 C9 LYS A 140 -11.965 1.219 9.124 1.00 0.00 C HETATM 1296 C10 LYS A 140 -12.435 2.227 9.951 1.00 -0.04 C HETATM 1297 C11 LYS A 140 -12.680 2.046 11.303 1.00 -0.04 C HETATM 1298 H LYS A 140 -13.080 2.852 11.908 1.00 0.07 H HETATM 1299 H LYS A 140 -12.620 3.204 9.520 1.00 0.07 H HETATM 1300 H LYS A 140 -11.788 1.387 8.068 1.00 0.08 H HETATM 1301 H LYS A 140 -11.680 -1.204 11.449 1.00 0.08 H HETATM 1302 H LYS A 140 -11.698 0.096 13.725 1.00 0.05 H HETATM 1303 H LYS A 140 -12.751 1.549 13.802 1.00 0.05 H HETATM 1304 H LYS A 140 -14.679 0.246 13.488 1.00 0.08 H HETATM 1305 H LYS A 140 -13.012 0.037 15.765 1.00 0.19 H HETATM 1306 CB LYS A 140 -15.066 0.074 18.047 1.00 -0.02 C HETATM 1307 H LYS A 140 -16.112 0.258 17.759 1.00 0.03 H HETATM 1308 H LYS A 140 -14.446 0.930 17.743 1.00 0.03 H HETATM 1309 H LYS A 140 -15.004 -0.055 19.138 1.00 0.03 H HETATM 1310 H LYS A 140 -15.146 -2.091 17.660 1.00 0.08 H HETATM 1311 H LYS A 140 -12.658 -0.745 18.250 1.00 0.19 H HETATM 1312 CB LYS A 140 -11.057 -3.203 19.280 1.00 -0.02 C HETATM 1313 H LYS A 140 -11.609 -4.147 19.398 1.00 0.03 H HETATM 1314 H LYS A 140 -11.511 -2.431 19.919 1.00 0.03 H HETATM 1315 H LYS A 140 -10.008 -3.353 19.574 1.00 0.03 H HETATM 1316 H LYS A 140 -10.647 -3.526 17.188 1.00 0.08 H HETATM 1317 H LYS A 140 -10.067 -0.978 18.409 1.00 0.19 H HETATM 1318 CB LYS A 140 -7.920 -0.016 16.122 1.00 -0.02 C HETATM 1319 H LYS A 140 -7.704 -0.715 15.300 1.00 0.03 H HETATM 1320 H LYS A 140 -7.580 -0.453 17.073 1.00 0.03 H HETATM 1321 H LYS A 140 -7.392 0.933 15.945 1.00 0.03 H HETATM 1322 H LYS A 140 -9.736 0.687 15.234 1.00 0.08 H HETATM 1323 H LYS A 140 -9.073 1.486 17.955 1.00 0.19 H HETATM 1324 CB LYS A 140 -11.291 1.644 19.890 1.00 0.09 C HETATM 1325 OG1 LYS A 140 -12.283 0.625 19.693 1.00 -0.39 O HETATM 1326 H LYS A 140 -12.297 0.048 20.448 1.00 0.21 H HETATM 1327 CG2 LYS A 140 -11.593 2.458 21.163 1.00 -0.03 C HETATM 1328 H LYS A 140 -11.602 1.786 22.034 1.00 0.03 H HETATM 1329 H LYS A 140 -12.575 2.943 21.064 1.00 0.03 H HETATM 1330 H LYS A 140 -10.817 3.226 21.300 1.00 0.03 H HETATM 1331 H LYS A 140 -10.304 1.169 19.997 1.00 0.06 H HETATM 1332 H LYS A 140 -10.478 3.322 18.767 1.00 0.08 H HETATM 1333 H LYS A 140 -13.374 2.955 19.029 1.00 0.19 H HETATM 1334 CB LYS A 140 -14.551 4.643 16.116 1.00 -0.00 C HETATM 1335 CG LYS A 140 -14.854 3.170 15.957 1.00 0.00 C HETATM 1336 CD LYS A 140 -15.426 2.818 14.557 1.00 0.04 C HETATM 1337 OE1 LYS A 140 -14.937 3.303 13.551 1.00 -0.57 O HETATM 1338 OE2 LYS A 140 -16.404 2.034 14.491 1.00 -0.57 O HETATM 1339 H LYS A 140 -15.591 2.879 16.720 1.00 0.04 H HETATM 1340 H LYS A 140 -13.924 2.602 16.109 1.00 0.04 H HETATM 1341 H LYS A 140 -13.815 4.939 15.354 1.00 0.03 H HETATM 1342 H LYS A 140 -15.479 5.215 15.970 1.00 0.03 H HETATM 1343 H LYS A 140 -14.694 4.647 18.271 1.00 0.08 H HETATM 1344 H LYS A 140 -13.776 6.937 16.683 1.00 0.19 H HETATM 1345 CB LYS A 140 -11.624 8.655 18.913 1.00 0.01 C HETATM 1346 CG LYS A 140 -10.749 8.921 17.704 1.00 -0.04 C HETATM 1347 CD LYS A 140 -9.277 8.633 18.032 1.00 -0.01 C HETATM 1348 CE LYS A 140 -8.545 9.831 18.663 1.00 -0.04 C HETATM 1349 NZ LYS A 140 -7.096 9.566 18.955 1.00 0.22 N HETATM 1350 H LYS A 140 -6.680 10.388 19.365 1.00 0.20 H HETATM 1351 H LYS A 140 -6.617 9.339 18.098 1.00 0.20 H HETATM 1352 H LYS A 140 -7.019 8.794 19.598 1.00 0.20 H HETATM 1353 H LYS A 140 -9.048 10.088 19.607 1.00 0.08 H HETATM 1354 H LYS A 140 -8.610 10.682 17.969 1.00 0.08 H HETATM 1355 H LYS A 140 -8.759 8.360 17.101 1.00 0.03 H HETATM 1356 H LYS A 140 -9.235 7.789 18.736 1.00 0.03 H HETATM 1357 H LYS A 140 -10.854 9.975 17.406 1.00 0.03 H HETATM 1358 H LYS A 140 -11.069 8.272 16.876 1.00 0.03 H HETATM 1359 H LYS A 140 -11.289 7.720 19.387 1.00 0.03 H HETATM 1360 H LYS A 140 -11.503 9.488 19.621 1.00 0.03 H HETATM 1361 H LYS A 140 -13.268 8.864 17.540 1.00 0.11 H HETATM 1362 H LYS A 140 -13.627 10.324 19.398 1.00 0.20 H HETATM 1363 H LYS A 140 -13.779 9.054 20.434 1.00 0.20 H HETATM 1364 H LYS A 140 -14.890 9.280 19.240 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 41 40 606 CONECT 195 194 715 CONECT 357 356 858 CONECT 422 421 490 CONECT 490 422 489 CONECT 606 41 605 CONECT 715 195 714 CONECT 858 357 857 CONECT 1125 1126 1362 1363 1364 CONECT 1126 1125 1127 1345 1361 CONECT 1127 1126 1128 1129 CONECT 1128 1127 CONECT 1129 1127 1130 1344 CONECT 1130 1129 1131 1334 1343 CONECT 1131 1130 1132 1133 CONECT 1132 1131 CONECT 1133 1131 1134 1333 CONECT 1134 1133 1135 1324 1332 CONECT 1135 1134 1136 1137 CONECT 1136 1135 CONECT 1137 1135 1138 1323 CONECT 1138 1137 1139 1318 1322 CONECT 1139 1138 1140 1141 CONECT 1140 1139 CONECT 1141 1139 1142 1317 CONECT 1142 1141 1143 1312 1316 CONECT 1143 1142 1144 1145 CONECT 1144 1143 CONECT 1145 1143 1146 1311 CONECT 1146 1145 1147 1306 1310 CONECT 1147 1146 1148 1149 CONECT 1148 1147 CONECT 1149 1147 1150 1305 CONECT 1150 1149 1151 1291 1304 CONECT 1151 1150 1152 1153 CONECT 1152 1151 CONECT 1153 1151 1154 1290 CONECT 1154 1153 1155 1275 1289 CONECT 1155 1154 1156 1157 CONECT 1156 1155 CONECT 1157 1155 1158 1274 CONECT 1158 1157 1159 1264 1273 CONECT 1159 1158 1160 1161 CONECT 1160 1159 CONECT 1161 1159 1162 1263 CONECT 1162 1161 1163 1244 1262 CONECT 1163 1162 1164 1165 CONECT 1164 1163 CONECT 1165 1163 1166 1243 CONECT 1166 1165 1167 1229 1242 CONECT 1167 1166 1168 1169 CONECT 1168 1167 CONECT 1169 1167 1170 1228 CONECT 1170 1169 1171 1216 1227 CONECT 1171 1170 1172 1173 CONECT 1172 1171 CONECT 1173 1171 1174 1215 CONECT 1174 1173 1175 1201 1214 CONECT 1175 1174 1176 1177 CONECT 1176 1175 CONECT 1177 1175 1178 1200 CONECT 1178 1177 1179 1193 1199 CONECT 1179 1178 1180 1181 CONECT 1180 1179 CONECT 1181 1179 1182 1192 CONECT 1182 1181 1183 1186 1191 CONECT 1183 1182 1184 1185 CONECT 1184 1183 CONECT 1185 1183 CONECT 1186 1182 1187 1189 1190 CONECT 1187 1186 1188 CONECT 1188 1187 CONECT 1189 1186 CONECT 1190 1186 CONECT 1191 1182 CONECT 1192 1181 CONECT 1193 1178 1194 1197 1198 CONECT 1194 1193 1195 1196 CONECT 1195 1194 CONECT 1196 1194 CONECT 1197 1193 CONECT 1198 1193 CONECT 1199 1178 CONECT 1200 1177 CONECT 1201 1174 1202 1212 1213 CONECT 1202 1201 1203 1210 1211 CONECT 1203 1202 1204 1208 1209 CONECT 1204 1203 1205 1206 1207 CONECT 1205 1204 CONECT 1206 1204 CONECT 1207 1204 CONECT 1208 1203 CONECT 1209 1203 CONECT 1210 1202 CONECT 1211 1202 CONECT 1212 1201 CONECT 1213 1201 CONECT 1214 1174 CONECT 1215 1173 CONECT 1216 1170 1217 1225 1226 CONECT 1217 1216 1218 1221 CONECT 1218 1217 1219 CONECT 1219 1218 1220 1224 CONECT 1220 1219 1221 1223 CONECT 1221 1217 1220 1222 CONECT 1222 1221 CONECT 1223 1220 CONECT 1224 1219 CONECT 1225 1216 CONECT 1226 1216 CONECT 1227 1170 CONECT 1228 1169 CONECT 1229 1166 1230 1240 1241 CONECT 1230 1229 1231 1235 CONECT 1231 1230 1232 1239 CONECT 1232 1231 1233 CONECT 1233 1232 1234 1238 CONECT 1234 1233 1235 1237 CONECT 1235 1230 1234 1236 CONECT 1236 1235 CONECT 1237 1234 CONECT 1238 1233 CONECT 1239 1231 CONECT 1240 1229 CONECT 1241 1229 CONECT 1242 1166 CONECT 1243 1165 CONECT 1244 1162 1245 1260 1261 CONECT 1245 1244 1246 1258 1259 CONECT 1246 1245 1247 1256 1257 CONECT 1247 1246 1248 1255 CONECT 1248 1247 1249 1252 CONECT 1249 1248 1250 1251 CONECT 1250 1249 CONECT 1251 1249 CONECT 1252 1248 1253 1254 CONECT 1253 1252 CONECT 1254 1252 CONECT 1255 1247 CONECT 1256 1246 CONECT 1257 1246 CONECT 1258 1245 CONECT 1259 1245 CONECT 1260 1244 CONECT 1261 1244 CONECT 1262 1162 CONECT 1263 1161 CONECT 1264 1158 1265 1271 1272 CONECT 1265 1264 1266 1269 1270 CONECT 1266 1265 1267 1268 CONECT 1267 1266 CONECT 1268 1266 CONECT 1269 1265 CONECT 1270 1265 CONECT 1271 1264 CONECT 1272 1264 CONECT 1273 1158 CONECT 1274 1157 CONECT 1275 1154 1276 1287 1288 CONECT 1276 1275 1277 1281 CONECT 1277 1276 1278 1286 CONECT 1278 1277 1279 1285 CONECT 1279 1278 1280 1284 CONECT 1280 1279 1281 1283 CONECT 1281 1276 1280 1282 CONECT 1282 1281 CONECT 1283 1280 CONECT 1284 1279 CONECT 1285 1278 CONECT 1286 1277 CONECT 1287 1275 CONECT 1288 1275 CONECT 1289 1154 CONECT 1290 1153 CONECT 1291 1150 1292 1302 1303 CONECT 1292 1291 1293 1297 CONECT 1293 1292 1294 1301 CONECT 1294 1293 1295 CONECT 1295 1294 1296 1300 CONECT 1296 1295 1297 1299 CONECT 1297 1292 1296 1298 CONECT 1298 1297 CONECT 1299 1296 CONECT 1300 1295 CONECT 1301 1293 CONECT 1302 1291 CONECT 1303 1291 CONECT 1304 1150 CONECT 1305 1149 CONECT 1306 1146 1307 1308 1309 CONECT 1307 1306 CONECT 1308 1306 CONECT 1309 1306 CONECT 1310 1146 CONECT 1311 1145 CONECT 1312 1142 1313 1314 1315 CONECT 1313 1312 CONECT 1314 1312 CONECT 1315 1312 CONECT 1316 1142 CONECT 1317 1141 CONECT 1318 1138 1319 1320 1321 CONECT 1319 1318 CONECT 1320 1318 CONECT 1321 1318 CONECT 1322 1138 CONECT 1323 1137 CONECT 1324 1134 1325 1327 1331 CONECT 1325 1324 1326 CONECT 1326 1325 CONECT 1327 1324 1328 1329 1330 CONECT 1328 1327 CONECT 1329 1327 CONECT 1330 1327 CONECT 1331 1324 CONECT 1332 1134 CONECT 1333 1133 CONECT 1334 1130 1335 1341 1342 CONECT 1335 1334 1336 1339 1340 CONECT 1336 1335 1337 1338 CONECT 1337 1336 CONECT 1338 1336 CONECT 1339 1335 CONECT 1340 1335 CONECT 1341 1334 CONECT 1342 1334 CONECT 1343 1130 CONECT 1344 1129 CONECT 1345 1126 1346 1359 1360 CONECT 1346 1345 1347 1357 1358 CONECT 1347 1346 1348 1355 1356 CONECT 1348 1347 1349 1353 1354 CONECT 1349 1348 1350 1351 1352 CONECT 1350 1349 CONECT 1351 1349 CONECT 1352 1349 CONECT 1353 1348 CONECT 1354 1348 CONECT 1355 1347 CONECT 1356 1347 CONECT 1357 1346 CONECT 1358 1346 CONECT 1359 1345 CONECT 1360 1345 CONECT 1361 1126 CONECT 1362 1125 CONECT 1363 1125 CONECT 1364 1125 MASTER 0 0 0 0 0 0 0 0 1363 1 252 8 END
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5svz
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5t1i
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5twg
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PDBbind
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5u66
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5ul6
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5uwj
RCSB PDB
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5v4b
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5vb9
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15-mer
5vzy
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15-mer
5wir
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15-mer
5ypo
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PDBbind
15-mer
5znp
RCSB PDB
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5zuj
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6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
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15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
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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
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15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
4o37
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Ribonuclease pancreatic, S-peptide
Ligand Name
15-mer
EC.Number
E.C.3.1.27.5
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=694nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) ChemCatChem. Vol. 6: pp. 736-740
Ligand Properties
Formula
C
7
9
H
1
1
8
N
2
3
O
2
4
Molecular Weight
1773.920
Exact Mass
1772.870
No. of atoms
244
No. of bonds
247
Polar Surface Area
772.81
LOGP Value
-2.68 (
Computed with XLOGP3
)
-3.80 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 19
No. of Hydrogen Bond Acceptors: 27
No. of Rotatable Bonds: 70
No. of Nitrogen and Oxygen Atoms: 47
No. of Rings: 4
Canonical SMILES
CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](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)Cc1cccnc1)Cc1ccccc1)CCC(=O)O)CCC[NH+]=C(N)N)Cc1cccnc1)Cc1c[nH]cn1
InChI String
InChI=1S/C79H115N23O24/c1-6-7-21-50(68(115)100-58(35-62(109)110)76(123)101-59(39-103)78(125)126)94-75(122)57(34-48-38-86-40-88-48)99-74(121)56(33-47-19-14-29-85-37-47)97-69(116)51(22-15-30-87-79(82)83)93-70(117)52(23-25-60(105)106)95-72(119)54(31-45-16-9-8-10-17-45)98-73(120)55(32-46-18-13-28-84-36-46)96-66(113)43(4)90-64(111)41(2)89-65(112)42(3)91-77(124)63(44(5)104)102-71(118)53(24-26-61(107)108)92-67(114)49(81)20-11-12-27-80/h8-10,13-14,16-19,28-29,36-38,40-44,49-59,63,103-104H,6-7,11-12,15,20-27,30-35,39,80-81H2,1-5H3,(H,86,88)(H,89,112)(H,90,111)(H,91,124)(H,92,114)(H,93,117)(H,94,122)(H,95,119)(H,96,113)(H,97,116)(H,98,120)(H,99,121)(H,100,115)(H,101,123)(H,102,118)(H,105,106)(H,107,108)(H,109,110)(H,125,126)(H4,82,83,87)/p+3/t41-,42-,43-,44+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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