Browse entries in the PDBbind-CN Database
HEADER 4QBM_COMPLEX COMPND 4QBM_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 106 SER MET HIS SER ASP LEU THR PHE CYS GLU ILE ILE LEU SEQRES 2 A 106 MET GLU MET GLU SER HIS ASP ALA ALA TRP PRO PHE LEU SEQRES 3 A 106 GLU PRO VAL ASN PRO ARG LEU VAL SER GLY TYR ARG ARG SEQRES 4 A 106 ILE ILE LYS ASN PRO MET ASP PHE SER THR MET ARG GLU SEQRES 5 A 106 ARG LEU LEU ARG GLY GLY TYR THR SER SER GLU GLU PHE SEQRES 6 A 106 ALA ALA ASP ALA LEU LEU VAL PHE ASP ASN CYS GLN THR SEQRES 7 A 106 PHE ASN GLU ASP ASP SER GLU VAL GLY LYS ALA GLY HIS SEQRES 8 A 106 ILE MET ARG ARG PHE PHE GLU SER ARG TRP GLU GLU PHE SEQRES 9 A 106 TYR GLN HET GLY A 225 172 ATOM 1 N SER A1794 -10.791 8.687 -61.742 1.00 37.46 N ATOM 2 CA SER A1794 -10.290 10.078 -61.957 1.00 36.86 C ATOM 3 C SER A1794 -8.773 10.147 -61.788 1.00 35.61 C ATOM 4 O SER A1794 -8.159 9.226 -61.240 1.00 32.98 O ATOM 5 CB SER A1794 -10.968 11.045 -60.978 1.00 36.46 C ATOM 6 OG SER A1794 -10.595 10.786 -59.632 1.00 36.91 O ATOM 7 HG SER A1794 -10.859 9.863 -59.389 1.00 0.00 H ATOM 8 HN3 SER A1794 -10.548 8.377 -60.779 1.00 0.00 H ATOM 9 HN2 SER A1794 -10.349 8.050 -62.435 1.00 0.00 H ATOM 10 HN1 SER A1794 -11.824 8.669 -61.863 1.00 0.00 H ATOM 11 N MET A1795 -8.183 11.244 -62.254 1.00 33.34 N ATOM 12 CA MET A1795 -6.766 11.499 -62.056 1.00 32.13 C ATOM 13 C MET A1795 -6.484 11.455 -60.561 1.00 30.63 C ATOM 14 O MET A1795 -5.561 10.798 -60.125 1.00 27.90 O ATOM 15 CB MET A1795 -6.346 12.865 -62.628 1.00 33.15 C ATOM 16 CG MET A1795 -4.830 13.126 -62.561 1.00 34.90 C ATOM 17 SD MET A1795 -4.266 14.845 -62.833 1.00 36.95 S ATOM 18 CE MET A1795 -4.918 15.693 -61.388 1.00 37.51 C ATOM 19 H MET A1795 -8.753 11.940 -62.776 1.00 0.00 H ATOM 20 N HIS A1796 -7.311 12.141 -59.780 1.00 29.61 N ATOM 21 CA HIS A1796 -7.091 12.233 -58.350 1.00 29.48 C ATOM 22 C HIS A1796 -7.146 10.856 -57.677 1.00 27.73 C ATOM 23 O HIS A1796 -6.266 10.538 -56.880 1.00 25.16 O ATOM 24 CB HIS A1796 -8.099 13.189 -57.694 1.00 32.79 C ATOM 25 CG HIS A1796 -7.906 13.347 -56.215 1.00 37.14 C ATOM 26 ND1 HIS A1796 -6.884 14.101 -55.672 1.00 39.91 N ATOM 27 CD2 HIS A1796 -8.607 12.854 -55.168 1.00 38.81 C ATOM 28 CE1 HIS A1796 -6.960 14.059 -54.353 1.00 40.39 C ATOM 29 NE2 HIS A1796 -7.996 13.307 -54.021 1.00 42.22 N ATOM 30 H HIS A1796 -8.131 12.621 -60.202 1.00 0.00 H ATOM 31 N SER A1797 -8.164 10.052 -57.989 1.00 24.40 N ATOM 32 CA SER A1797 -8.286 8.713 -57.368 1.00 24.12 C ATOM 33 C SER A1797 -7.139 7.781 -57.793 1.00 22.89 C ATOM 34 O SER A1797 -6.626 6.991 -56.970 1.00 22.33 O ATOM 35 CB SER A1797 -9.670 8.065 -57.617 1.00 25.55 C ATOM 36 OG SER A1797 -9.852 7.671 -58.958 1.00 28.84 O ATOM 37 HG SER A1797 -9.158 7.009 -59.203 1.00 0.00 H ATOM 38 H SER A1797 -8.879 10.369 -58.675 1.00 0.00 H ATOM 39 N ASP A1798 -6.714 7.882 -59.056 1.00 21.79 N ATOM 40 CA ASP A1798 -5.575 7.106 -59.540 1.00 21.85 C ATOM 41 C ASP A1798 -4.305 7.504 -58.805 1.00 19.35 C ATOM 42 O ASP A1798 -3.536 6.644 -58.402 1.00 16.68 O ATOM 43 CB ASP A1798 -5.314 7.302 -61.030 1.00 23.67 C ATOM 44 CG ASP A1798 -6.414 6.738 -61.930 1.00 27.07 C ATOM 45 OD1 ASP A1798 -7.236 5.917 -61.483 1.00 27.90 O ATOM 46 OD2 ASP A1798 -6.424 7.140 -63.126 1.00 29.26 O ATOM 47 H ASP A1798 -7.205 8.527 -59.708 1.00 0.00 H ATOM 48 N LEU A1799 -4.065 8.797 -58.689 1.00 19.75 N ATOM 49 CA LEU A1799 -2.861 9.272 -58.030 1.00 19.88 C ATOM 50 C LEU A1799 -2.900 8.984 -56.549 1.00 18.51 C ATOM 51 O LEU A1799 -1.846 8.760 -55.962 1.00 17.76 O ATOM 52 CB LEU A1799 -2.617 10.764 -58.268 1.00 21.51 C ATOM 53 CG LEU A1799 -2.339 11.149 -59.701 1.00 23.00 C ATOM 54 CD1 LEU A1799 -2.309 12.671 -59.858 1.00 24.98 C ATOM 55 CD2 LEU A1799 -1.059 10.525 -60.210 1.00 22.27 C ATOM 56 H LEU A1799 -4.745 9.483 -59.074 1.00 0.00 H ATOM 57 N THR A1800 -4.093 9.030 -55.931 1.00 17.53 N ATOM 58 CA THR A1800 -4.204 8.587 -54.536 1.00 17.94 C ATOM 59 C THR A1800 -3.713 7.160 -54.375 1.00 16.37 C ATOM 60 O THR A1800 -2.997 6.854 -53.422 1.00 15.69 O ATOM 61 CB THR A1800 -5.644 8.749 -54.028 1.00 19.36 C ATOM 62 OG1 THR A1800 -5.915 10.159 -53.914 1.00 21.93 O ATOM 63 CG2 THR A1800 -5.815 8.086 -52.666 1.00 20.63 C ATOM 64 HG1 THR A1800 -5.813 10.586 -54.801 1.00 0.00 H ATOM 65 H THR A1800 -4.932 9.377 -56.438 1.00 0.00 H ATOM 66 N PHE A1801 -4.111 6.279 -55.307 1.00 15.63 N ATOM 67 CA PHE A1801 -3.707 4.888 -55.224 1.00 15.99 C ATOM 68 C PHE A1801 -2.202 4.742 -55.504 1.00 15.75 C ATOM 69 O PHE A1801 -1.483 4.002 -54.807 1.00 15.43 O ATOM 70 CB PHE A1801 -4.526 4.006 -56.179 1.00 17.36 C ATOM 71 CG PHE A1801 -4.232 2.541 -56.045 1.00 18.88 C ATOM 72 CD1 PHE A1801 -4.331 1.916 -54.803 1.00 19.69 C ATOM 73 CD2 PHE A1801 -3.821 1.782 -57.129 1.00 20.68 C ATOM 74 CE1 PHE A1801 -4.032 0.577 -54.657 1.00 20.94 C ATOM 75 CE2 PHE A1801 -3.554 0.433 -56.989 1.00 20.40 C ATOM 76 CZ PHE A1801 -3.629 -0.164 -55.747 1.00 21.06 C ATOM 77 H PHE A1801 -4.713 6.596 -56.094 1.00 0.00 H ATOM 78 N CYS A1802 -1.681 5.519 -56.457 1.00 15.73 N ATOM 79 CA CYS A1802 -0.234 5.506 -56.664 1.00 15.04 C ATOM 80 C CYS A1802 0.538 5.867 -55.407 1.00 14.64 C ATOM 81 O CYS A1802 1.541 5.243 -55.099 1.00 14.77 O ATOM 82 CB CYS A1802 0.196 6.460 -57.767 1.00 15.46 C ATOM 83 SG CYS A1802 -0.347 5.946 -59.422 1.00 17.41 S ATOM 84 H CYS A1802 -2.294 6.123 -57.042 1.00 0.00 H ATOM 85 N GLU A1803 0.055 6.874 -54.682 1.00 15.26 N ATOM 86 CA GLU A1803 0.698 7.282 -53.442 1.00 15.15 C ATOM 87 C GLU A1803 0.713 6.142 -52.431 1.00 14.99 C ATOM 88 O GLU A1803 1.715 5.934 -51.706 1.00 14.99 O ATOM 89 CB GLU A1803 0.073 8.553 -52.846 1.00 17.04 C ATOM 90 CG GLU A1803 0.886 9.017 -51.666 1.00 18.47 C ATOM 91 CD GLU A1803 0.337 10.237 -50.996 1.00 20.10 C ATOM 92 OE1 GLU A1803 -0.850 10.521 -51.164 1.00 25.69 O ATOM 93 OE2 GLU A1803 1.117 10.883 -50.272 1.00 25.09 O ATOM 94 H GLU A1803 -0.795 7.377 -55.007 1.00 0.00 H ATOM 95 N ILE A1804 -0.409 5.447 -52.345 1.00 14.32 N ATOM 96 CA ILE A1804 -0.520 4.268 -51.484 1.00 15.23 C ATOM 97 C ILE A1804 0.475 3.170 -51.899 1.00 15.05 C ATOM 98 O ILE A1804 1.160 2.618 -51.046 1.00 14.82 O ATOM 99 CB ILE A1804 -1.970 3.743 -51.464 1.00 16.97 C ATOM 100 CG1 ILE A1804 -2.848 4.752 -50.695 1.00 18.33 C ATOM 101 CG2 ILE A1804 -2.036 2.354 -50.828 1.00 17.52 C ATOM 102 CD1 ILE A1804 -4.340 4.574 -50.923 1.00 19.77 C ATOM 103 H ILE A1804 -1.234 5.746 -52.903 1.00 0.00 H ATOM 104 N ILE A1805 0.585 2.882 -53.192 1.00 15.12 N ATOM 105 CA ILE A1805 1.543 1.879 -53.628 1.00 15.51 C ATOM 106 C ILE A1805 2.957 2.302 -53.207 1.00 14.47 C ATOM 107 O ILE A1805 3.752 1.486 -52.731 1.00 16.28 O ATOM 108 CB ILE A1805 1.519 1.674 -55.162 1.00 16.08 C ATOM 109 CG1 ILE A1805 0.176 1.105 -55.626 1.00 17.45 C ATOM 110 CG2 ILE A1805 2.654 0.753 -55.584 1.00 17.64 C ATOM 111 CD1 ILE A1805 0.080 0.981 -57.134 1.00 17.83 C ATOM 112 H ILE A1805 -0.012 3.372 -53.889 1.00 0.00 H ATOM 113 N LEU A1806 3.282 3.573 -53.398 1.00 13.87 N ATOM 114 CA LEU A1806 4.608 4.064 -53.032 1.00 15.03 C ATOM 115 C LEU A1806 4.863 3.903 -51.529 1.00 15.16 C ATOM 116 O LEU A1806 5.894 3.409 -51.133 1.00 15.14 O ATOM 117 CB LEU A1806 4.814 5.513 -53.490 1.00 15.46 C ATOM 118 CG LEU A1806 6.211 6.088 -53.209 1.00 16.33 C ATOM 119 CD1 LEU A1806 7.274 5.322 -53.962 1.00 17.46 C ATOM 120 CD2 LEU A1806 6.187 7.528 -53.678 1.00 16.35 C ATOM 121 H LEU A1806 2.587 4.226 -53.812 1.00 0.00 H ATOM 122 N MET A1807 3.893 4.300 -50.706 1.00 15.72 N ATOM 123 CA MET A1807 3.997 4.043 -49.263 1.00 16.08 C ATOM 124 C MET A1807 4.198 2.566 -48.913 1.00 16.64 C ATOM 125 O MET A1807 5.027 2.204 -48.052 1.00 16.29 O ATOM 126 CB MET A1807 2.740 4.559 -48.558 1.00 16.71 C ATOM 127 CG MET A1807 2.773 4.408 -47.052 1.00 18.23 C ATOM 128 SD MET A1807 2.197 2.833 -46.416 1.00 19.53 S ATOM 129 CE MET A1807 0.475 2.799 -46.856 1.00 18.79 C ATOM 130 H MET A1807 3.060 4.793 -51.086 1.00 0.00 H ATOM 131 N GLU A1808 3.456 1.695 -49.586 1.00 16.35 N ATOM 132 CA GLU A1808 3.521 0.265 -49.288 1.00 16.86 C ATOM 133 C GLU A1808 4.869 -0.307 -49.713 1.00 17.55 C ATOM 134 O GLU A1808 5.456 -1.125 -48.980 1.00 17.67 O ATOM 135 CB GLU A1808 2.369 -0.490 -49.985 1.00 17.86 C ATOM 136 CG GLU A1808 1.022 -0.140 -49.382 1.00 19.43 C ATOM 137 CD GLU A1808 -0.184 -0.803 -50.006 1.00 22.78 C ATOM 138 OE1 GLU A1808 -0.131 -1.286 -51.145 1.00 24.88 O ATOM 139 OE2 GLU A1808 -1.252 -0.770 -49.329 1.00 27.65 O ATOM 140 H GLU A1808 2.820 2.034 -50.335 1.00 0.00 H ATOM 141 N MET A1809 5.412 0.172 -50.839 1.00 17.39 N ATOM 142 CA MET A1809 6.761 -0.227 -51.257 1.00 18.59 C ATOM 143 C MET A1809 7.780 0.188 -50.196 1.00 19.71 C ATOM 144 O MET A1809 8.605 -0.623 -49.766 1.00 19.17 O ATOM 145 CB MET A1809 7.125 0.415 -52.600 1.00 19.58 C ATOM 146 CG MET A1809 6.450 -0.271 -53.745 1.00 19.46 C ATOM 147 SD MET A1809 7.251 0.019 -55.350 1.00 19.78 S ATOM 148 CE MET A1809 6.923 1.778 -55.582 1.00 20.13 C ATOM 149 H MET A1809 4.870 0.837 -51.426 1.00 0.00 H ATOM 150 N GLU A1810 7.670 1.433 -49.742 1.00 19.46 N ATOM 151 CA GLU A1810 8.582 2.020 -48.750 1.00 22.30 C ATOM 152 C GLU A1810 8.508 1.312 -47.427 1.00 22.04 C ATOM 153 O GLU A1810 9.497 1.253 -46.678 1.00 24.04 O ATOM 154 CB GLU A1810 8.253 3.492 -48.534 1.00 24.44 C ATOM 155 CG GLU A1810 8.674 4.386 -49.673 1.00 28.00 C ATOM 156 CD GLU A1810 8.562 5.853 -49.309 1.00 33.37 C ATOM 157 OE1 GLU A1810 7.891 6.183 -48.286 1.00 36.38 O ATOM 158 OE2 GLU A1810 9.148 6.682 -50.052 1.00 39.57 O ATOM 159 H GLU A1810 6.897 2.024 -50.109 1.00 0.00 H ATOM 160 N SER A1811 7.357 0.735 -47.125 1.00 21.16 N ATOM 161 CA SER A1811 7.196 -0.007 -45.873 1.00 20.77 C ATOM 162 C SER A1811 7.899 -1.364 -45.888 1.00 21.14 C ATOM 163 O SER A1811 8.125 -1.954 -44.824 1.00 22.26 O ATOM 164 CB SER A1811 5.720 -0.171 -45.502 1.00 20.83 C ATOM 165 OG SER A1811 5.116 -1.217 -46.225 1.00 20.04 O ATOM 166 HG SER A1811 5.175 -1.024 -47.194 1.00 0.00 H ATOM 167 H SER A1811 6.556 0.809 -47.785 1.00 0.00 H ATOM 168 N HIS A1812 8.287 -1.867 -47.066 1.00 18.65 N ATOM 169 CA HIS A1812 8.989 -3.154 -47.125 1.00 18.88 C ATOM 170 C HIS A1812 10.444 -3.042 -46.707 1.00 19.35 C ATOM 171 O HIS A1812 11.118 -2.043 -46.988 1.00 17.86 O ATOM 172 CB HIS A1812 9.028 -3.706 -48.538 1.00 18.84 C ATOM 173 CG HIS A1812 7.764 -4.374 -48.969 1.00 19.52 C ATOM 174 ND1 HIS A1812 6.608 -3.671 -49.244 1.00 19.05 N ATOM 175 CD2 HIS A1812 7.500 -5.675 -49.259 1.00 21.24 C ATOM 176 CE1 HIS A1812 5.679 -4.519 -49.663 1.00 20.00 C ATOM 177 NE2 HIS A1812 6.185 -5.741 -49.653 1.00 21.35 N ATOM 178 H HIS A1812 8.090 -1.344 -47.943 1.00 0.00 H ATOM 179 N ASP A1813 10.921 -4.090 -46.040 1.00 21.05 N ATOM 180 CA ASP A1813 12.321 -4.174 -45.683 1.00 23.15 C ATOM 181 C ASP A1813 13.229 -4.004 -46.882 1.00 22.82 C ATOM 182 O ASP A1813 14.253 -3.324 -46.759 1.00 25.04 O ATOM 183 CB ASP A1813 12.617 -5.515 -44.997 1.00 26.41 C ATOM 184 CG ASP A1813 12.027 -5.605 -43.594 1.00 30.63 C ATOM 185 OD1 ASP A1813 11.609 -4.569 -43.023 1.00 33.63 O ATOM 186 OD2 ASP A1813 11.988 -6.736 -43.063 1.00 34.92 O ATOM 187 H ASP A1813 10.277 -4.861 -45.771 1.00 0.00 H ATOM 188 N ALA A1814 12.866 -4.603 -48.020 1.00 20.73 N ATOM 189 CA ALA A1814 13.652 -4.545 -49.249 1.00 20.62 C ATOM 190 C ALA A1814 13.655 -3.198 -49.968 1.00 19.11 C ATOM 191 O ALA A1814 14.321 -3.054 -50.969 1.00 19.52 O ATOM 192 CB ALA A1814 13.205 -5.634 -50.230 1.00 20.83 C ATOM 193 H ALA A1814 11.975 -5.140 -48.031 1.00 0.00 H ATOM 194 N ALA A1815 12.950 -2.201 -49.454 1.00 17.96 N ATOM 195 CA ALA A1815 12.955 -0.896 -50.121 1.00 17.89 C ATOM 196 C ALA A1815 14.231 -0.110 -49.834 1.00 17.52 C ATOM 197 O ALA A1815 14.456 0.919 -50.470 1.00 17.57 O ATOM 198 CB ALA A1815 11.754 -0.076 -49.699 1.00 18.96 C ATOM 199 H ALA A1815 12.398 -2.343 -48.584 1.00 0.00 H ATOM 200 N TRP A1816 15.087 -0.577 -48.913 1.00 17.35 N ATOM 201 CA TRP A1816 16.177 0.248 -48.404 1.00 18.11 C ATOM 202 C TRP A1816 17.107 0.832 -49.486 1.00 17.62 C ATOM 203 O TRP A1816 17.491 1.999 -49.367 1.00 20.91 O ATOM 204 CB TRP A1816 16.965 -0.457 -47.265 1.00 18.35 C ATOM 205 CG TRP A1816 17.715 -1.619 -47.685 1.00 19.33 C ATOM 206 CD1 TRP A1816 17.299 -2.913 -47.700 1.00 20.60 C ATOM 207 CD2 TRP A1816 19.017 -1.611 -48.255 1.00 20.81 C ATOM 208 NE1 TRP A1816 18.285 -3.731 -48.213 1.00 22.87 N ATOM 209 CE2 TRP A1816 19.360 -2.944 -48.547 1.00 21.95 C ATOM 210 CE3 TRP A1816 19.941 -0.600 -48.513 1.00 22.19 C ATOM 211 CZ2 TRP A1816 20.597 -3.296 -49.106 1.00 23.37 C ATOM 212 CZ3 TRP A1816 21.152 -0.953 -49.084 1.00 21.49 C ATOM 213 CH2 TRP A1816 21.471 -2.257 -49.360 1.00 21.68 C ATOM 214 HE1 TRP A1816 18.225 -4.763 -48.327 1.00 0.00 H ATOM 215 H TRP A1816 14.971 -1.546 -48.555 1.00 0.00 H ATOM 216 N PRO A1817 17.390 0.095 -50.585 1.00 16.32 N ATOM 217 CA PRO A1817 18.298 0.715 -51.548 1.00 15.33 C ATOM 218 C PRO A1817 17.695 1.845 -52.343 1.00 15.60 C ATOM 219 O PRO A1817 18.447 2.539 -53.042 1.00 14.80 O ATOM 220 CB PRO A1817 18.598 -0.421 -52.531 1.00 15.01 C ATOM 221 CG PRO A1817 18.257 -1.667 -51.826 1.00 15.38 C ATOM 222 CD PRO A1817 17.094 -1.301 -50.964 1.00 16.07 C ATOM 223 N PHE A1818 16.371 1.974 -52.307 1.00 14.86 N ATOM 224 CA PHE A1818 15.637 2.872 -53.247 1.00 14.68 C ATOM 225 C PHE A1818 15.016 4.100 -52.591 1.00 15.27 C ATOM 226 O PHE A1818 14.358 4.927 -53.240 1.00 16.38 O ATOM 227 CB PHE A1818 14.536 2.072 -53.952 1.00 15.36 C ATOM 228 CG PHE A1818 15.020 0.764 -54.452 1.00 14.71 C ATOM 229 CD1 PHE A1818 15.977 0.725 -55.461 1.00 14.61 C ATOM 230 CD2 PHE A1818 14.628 -0.420 -53.844 1.00 14.77 C ATOM 231 CE1 PHE A1818 16.493 -0.497 -55.912 1.00 15.07 C ATOM 232 CE2 PHE A1818 15.135 -1.630 -54.286 1.00 14.83 C ATOM 233 CZ PHE A1818 16.100 -1.666 -55.289 1.00 14.87 C ATOM 234 H PHE A1818 15.831 1.433 -51.602 1.00 0.00 H ATOM 235 N LEU A1819 15.242 4.242 -51.297 1.00 16.05 N ATOM 236 CA LEU A1819 14.600 5.327 -50.553 1.00 17.89 C ATOM 237 C LEU A1819 15.094 6.706 -50.939 1.00 19.83 C ATOM 238 O LEU A1819 14.306 7.657 -50.885 1.00 20.92 O ATOM 239 CB LEU A1819 14.800 5.132 -49.047 1.00 17.89 C ATOM 240 CG LEU A1819 14.192 3.835 -48.474 1.00 19.31 C ATOM 241 CD1 LEU A1819 14.494 3.715 -46.994 1.00 20.33 C ATOM 242 CD2 LEU A1819 12.706 3.706 -48.721 1.00 19.22 C ATOM 243 H LEU A1819 15.878 3.581 -50.806 1.00 0.00 H ATOM 244 N GLU A1820 16.386 6.821 -51.274 1.00 18.63 N ATOM 245 CA GLU A1820 17.007 8.109 -51.553 1.00 19.80 C ATOM 246 C GLU A1820 17.849 7.954 -52.794 1.00 17.65 C ATOM 247 O GLU A1820 18.199 6.834 -53.178 1.00 17.51 O ATOM 248 CB GLU A1820 17.934 8.559 -50.400 1.00 21.20 C ATOM 249 CG GLU A1820 17.221 8.842 -49.096 1.00 24.70 C ATOM 250 CD GLU A1820 16.248 9.996 -49.155 1.00 25.97 C ATOM 251 OE1 GLU A1820 16.379 10.873 -50.047 1.00 27.98 O ATOM 252 OE2 GLU A1820 15.335 10.040 -48.286 1.00 29.84 O ATOM 253 H GLU A1820 16.966 5.960 -51.337 1.00 0.00 H ATOM 254 N PRO A1821 18.201 9.075 -53.425 1.00 17.73 N ATOM 255 CA PRO A1821 19.065 8.951 -54.581 1.00 18.34 C ATOM 256 C PRO A1821 20.389 8.280 -54.277 1.00 17.93 C ATOM 257 O PRO A1821 20.997 8.531 -53.210 1.00 18.66 O ATOM 258 CB PRO A1821 19.291 10.382 -55.020 1.00 18.79 C ATOM 259 CG PRO A1821 18.145 11.155 -54.476 1.00 19.72 C ATOM 260 CD PRO A1821 17.773 10.470 -53.196 1.00 18.71 C ATOM 261 N VAL A1822 20.856 7.480 -55.229 1.00 18.13 N ATOM 262 CA VAL A1822 22.178 6.878 -55.110 1.00 18.98 C ATOM 263 C VAL A1822 23.255 7.974 -55.147 1.00 19.75 C ATOM 264 O VAL A1822 23.166 8.928 -55.920 1.00 20.52 O ATOM 265 CB VAL A1822 22.453 5.811 -56.203 1.00 19.22 C ATOM 266 CG1 VAL A1822 23.895 5.311 -56.110 1.00 19.60 C ATOM 267 CG2 VAL A1822 21.439 4.669 -56.094 1.00 20.10 C ATOM 268 H VAL A1822 20.273 7.281 -56.067 1.00 0.00 H ATOM 269 N ASN A1823 24.213 7.866 -54.228 1.00 21.14 N ATOM 270 CA ASN A1823 25.361 8.750 -54.180 1.00 21.44 C ATOM 271 C ASN A1823 26.539 8.029 -54.827 1.00 21.84 C ATOM 272 O ASN A1823 27.031 7.054 -54.294 1.00 21.76 O ATOM 273 CB ASN A1823 25.680 9.039 -52.727 1.00 23.07 C ATOM 274 CG ASN A1823 26.824 9.990 -52.572 1.00 25.06 C ATOM 275 OD1 ASN A1823 27.417 10.427 -53.556 1.00 23.00 O ATOM 276 ND2 ASN A1823 27.113 10.359 -51.320 1.00 29.33 N ATOM 277 HD22 ASN A1823 26.579 9.957 -50.523 1.00 0.00 H ATOM 278 HD21 ASN A1823 27.872 11.048 -51.143 1.00 0.00 H ATOM 279 H ASN A1823 24.134 7.114 -53.513 1.00 0.00 H ATOM 280 N PRO A1824 26.976 8.495 -55.971 1.00 22.20 N ATOM 281 CA PRO A1824 28.095 7.832 -56.594 1.00 23.38 C ATOM 282 C PRO A1824 29.448 7.888 -55.847 1.00 23.74 C ATOM 283 O PRO A1824 30.367 7.205 -56.244 1.00 24.22 O ATOM 284 CB PRO A1824 28.182 8.496 -57.986 1.00 22.95 C ATOM 285 CG PRO A1824 26.888 9.111 -58.200 1.00 24.13 C ATOM 286 CD PRO A1824 26.394 9.520 -56.848 1.00 23.16 C ATOM 287 N ARG A1825 29.546 8.701 -54.800 1.00 24.08 N ATOM 288 CA ARG A1825 30.691 8.695 -53.937 1.00 26.44 C ATOM 289 C ARG A1825 30.692 7.453 -53.027 1.00 25.64 C ATOM 290 O ARG A1825 31.731 7.077 -52.502 1.00 27.49 O ATOM 291 CB ARG A1825 30.734 9.992 -53.099 1.00 27.42 C ATOM 292 CG ARG A1825 31.020 11.258 -53.916 1.00 28.45 C ATOM 293 CD ARG A1825 31.084 12.536 -53.063 1.00 28.64 C ATOM 294 NE ARG A1825 32.115 12.424 -52.016 1.00 28.61 N ATOM 295 CZ ARG A1825 32.133 13.087 -50.865 1.00 30.52 C ATOM 296 NH1 ARG A1825 31.186 13.972 -50.549 1.00 33.06 N ATOM 297 NH2 ARG A1825 33.132 12.878 -50.014 1.00 31.76 N ATOM 298 HE ARG A1825 32.900 11.766 -52.195 1.00 0.00 H ATOM 299 HH12 ARG A1825 31.227 14.476 -49.640 1.00 0.00 H ATOM 300 HH11 ARG A1825 30.406 14.158 -51.212 1.00 0.00 H ATOM 301 HH22 ARG A1825 33.160 13.390 -49.109 1.00 0.00 H ATOM 302 HH21 ARG A1825 33.886 12.203 -50.253 1.00 0.00 H ATOM 303 H ARG A1825 28.768 9.362 -54.601 1.00 0.00 H ATOM 304 N LEU A1826 29.529 6.862 -52.795 1.00 25.12 N ATOM 305 CA LEU A1826 29.463 5.571 -52.094 1.00 26.74 C ATOM 306 C LEU A1826 29.447 4.403 -53.052 1.00 27.49 C ATOM 307 O LEU A1826 29.916 3.315 -52.700 1.00 29.48 O ATOM 308 CB LEU A1826 28.212 5.502 -51.221 1.00 27.08 C ATOM 309 CG LEU A1826 28.082 6.620 -50.194 1.00 28.19 C ATOM 310 CD1 LEU A1826 26.917 6.311 -49.263 1.00 29.14 C ATOM 311 CD2 LEU A1826 29.377 6.776 -49.420 1.00 29.23 C ATOM 312 H LEU A1826 28.650 7.318 -53.113 1.00 0.00 H ATOM 313 N VAL A1827 28.871 4.621 -54.236 1.00 26.41 N ATOM 314 CA VAL A1827 28.633 3.568 -55.219 1.00 27.71 C ATOM 315 C VAL A1827 29.366 3.859 -56.535 1.00 26.71 C ATOM 316 O VAL A1827 28.873 4.583 -57.390 1.00 28.45 O ATOM 317 CB VAL A1827 27.127 3.400 -55.454 1.00 26.89 C ATOM 318 CG1 VAL A1827 26.884 2.219 -56.385 1.00 27.15 C ATOM 319 CG2 VAL A1827 26.402 3.186 -54.119 1.00 27.79 C ATOM 320 H VAL A1827 28.577 5.591 -54.470 1.00 0.00 H ATOM 321 N SER A1828 30.531 3.226 -56.704 1.00 27.16 N ATOM 322 CA SER A1828 31.436 3.504 -57.821 1.00 26.49 C ATOM 323 C SER A1828 30.828 3.201 -59.197 1.00 27.07 C ATOM 324 O SER A1828 30.276 2.127 -59.412 1.00 24.79 O ATOM 325 CB SER A1828 32.723 2.683 -57.666 1.00 28.56 C ATOM 326 OG SER A1828 33.695 3.093 -58.601 1.00 29.54 O ATOM 327 HG SER A1828 34.515 2.551 -58.482 1.00 0.00 H ATOM 328 H SER A1828 30.808 2.502 -56.010 1.00 0.00 H ATOM 329 N GLY A1829 30.956 4.146 -60.137 1.00 26.91 N ATOM 330 CA GLY A1829 30.526 3.955 -61.514 1.00 25.99 C ATOM 331 C GLY A1829 29.048 4.186 -61.795 1.00 23.38 C ATOM 332 O GLY A1829 28.615 4.047 -62.934 1.00 23.91 O ATOM 333 H GLY A1829 31.382 5.057 -59.871 1.00 0.00 H ATOM 334 N TYR A1830 28.288 4.557 -60.761 1.00 23.34 N ATOM 335 CA TYR A1830 26.843 4.696 -60.904 1.00 21.31 C ATOM 336 C TYR A1830 26.500 5.750 -61.967 1.00 23.31 C ATOM 337 O TYR A1830 25.681 5.492 -62.844 1.00 23.92 O ATOM 338 CB TYR A1830 26.163 4.967 -59.557 1.00 21.13 C ATOM 339 CG TYR A1830 24.686 4.724 -59.621 1.00 19.75 C ATOM 340 CD1 TYR A1830 24.178 3.449 -59.459 1.00 19.16 C ATOM 341 CD2 TYR A1830 23.802 5.748 -59.955 1.00 19.20 C ATOM 342 CE1 TYR A1830 22.829 3.180 -59.548 1.00 18.41 C ATOM 343 CE2 TYR A1830 22.450 5.494 -60.060 1.00 18.72 C ATOM 344 CZ TYR A1830 21.958 4.217 -59.848 1.00 18.48 C ATOM 345 OH TYR A1830 20.612 3.948 -59.983 1.00 19.52 O ATOM 346 HH TYR A1830 20.448 2.990 -59.794 1.00 0.00 H ATOM 347 H TYR A1830 28.733 4.749 -59.841 1.00 0.00 H ATOM 348 N ARG A1831 27.167 6.913 -61.919 1.00 25.38 N ATOM 349 CA ARG A1831 26.927 7.985 -62.892 1.00 27.43 C ATOM 350 C ARG A1831 27.299 7.579 -64.332 1.00 27.74 C ATOM 351 O ARG A1831 26.594 7.929 -65.294 1.00 26.62 O ATOM 352 CB ARG A1831 27.679 9.256 -62.453 1.00 29.88 C ATOM 353 CG ARG A1831 27.289 10.532 -63.169 1.00 32.46 C ATOM 354 CD ARG A1831 28.055 11.728 -62.603 1.00 32.09 C ATOM 355 NE ARG A1831 27.566 12.134 -61.282 1.00 33.57 N ATOM 356 CZ ARG A1831 28.266 12.128 -60.140 1.00 33.63 C ATOM 357 NH1 ARG A1831 29.551 11.752 -60.079 1.00 35.32 N ATOM 358 NH2 ARG A1831 27.668 12.512 -59.021 1.00 33.80 N ATOM 359 HE ARG A1831 26.579 12.458 -61.226 1.00 0.00 H ATOM 360 HH12 ARG A1831 30.054 11.764 -59.169 1.00 0.00 H ATOM 361 HH11 ARG A1831 30.045 11.448 -60.942 1.00 0.00 H ATOM 362 HH22 ARG A1831 28.195 12.514 -58.124 1.00 0.00 H ATOM 363 HH21 ARG A1831 26.672 12.811 -59.040 1.00 0.00 H ATOM 364 H ARG A1831 27.874 7.059 -61.171 1.00 0.00 H ATOM 365 N ARG A1832 28.378 6.807 -64.491 1.00 27.72 N ATOM 366 CA ARG A1832 28.769 6.332 -65.813 1.00 28.31 C ATOM 367 C ARG A1832 27.753 5.360 -66.411 1.00 27.42 C ATOM 368 O ARG A1832 27.480 5.390 -67.604 1.00 28.84 O ATOM 369 CB ARG A1832 30.158 5.680 -65.784 1.00 30.94 C ATOM 370 CG ARG A1832 30.527 4.954 -67.070 1.00 33.00 C ATOM 371 CD ARG A1832 31.958 4.447 -67.060 1.00 35.25 C ATOM 372 NE ARG A1832 32.246 3.569 -65.926 1.00 34.75 N ATOM 373 CZ ARG A1832 31.991 2.255 -65.886 1.00 34.12 C ATOM 374 NH1 ARG A1832 31.413 1.632 -66.906 1.00 35.15 N ATOM 375 NH2 ARG A1832 32.317 1.557 -64.810 1.00 34.03 N ATOM 376 HE ARG A1832 32.683 3.999 -65.086 1.00 0.00 H ATOM 377 HH12 ARG A1832 31.225 0.611 -66.852 1.00 0.00 H ATOM 378 HH11 ARG A1832 31.148 2.165 -67.759 1.00 0.00 H ATOM 379 HH22 ARG A1832 32.121 0.536 -64.773 1.00 0.00 H ATOM 380 HH21 ARG A1832 32.769 2.029 -64.001 1.00 0.00 H ATOM 381 H ARG A1832 28.946 6.542 -63.661 1.00 0.00 H ATOM 382 N ILE A1833 27.172 4.512 -65.572 1.00 23.64 N ATOM 383 CA ILE A1833 26.356 3.402 -66.045 1.00 21.94 C ATOM 384 C ILE A1833 24.877 3.761 -66.153 1.00 22.43 C ATOM 385 O ILE A1833 24.189 3.324 -67.085 1.00 22.30 O ATOM 386 CB ILE A1833 26.558 2.172 -65.139 1.00 21.53 C ATOM 387 CG1 ILE A1833 27.963 1.588 -65.358 1.00 22.58 C ATOM 388 CG2 ILE A1833 25.515 1.080 -65.386 1.00 21.38 C ATOM 389 CD1 ILE A1833 28.478 0.788 -64.167 1.00 22.70 C ATOM 390 H ILE A1833 27.303 4.643 -64.549 1.00 0.00 H ATOM 391 N ILE A1834 24.382 4.553 -65.201 1.00 20.21 N ATOM 392 CA ILE A1834 22.953 4.880 -65.135 1.00 19.73 C ATOM 393 C ILE A1834 22.702 6.324 -65.602 1.00 21.76 C ATOM 394 O ILE A1834 23.076 7.276 -64.920 1.00 22.86 O ATOM 395 CB ILE A1834 22.383 4.632 -63.717 1.00 18.98 C ATOM 396 CG1 ILE A1834 22.489 3.135 -63.347 1.00 18.68 C ATOM 397 CG2 ILE A1834 20.952 5.150 -63.560 1.00 20.36 C ATOM 398 CD1 ILE A1834 21.729 2.202 -64.244 1.00 18.40 C ATOM 399 H ILE A1834 25.026 4.949 -64.487 1.00 0.00 H ATOM 400 N LYS A1835 22.050 6.453 -66.757 1.00 22.41 N ATOM 401 CA LYS A1835 21.847 7.767 -67.377 1.00 25.59 C ATOM 402 C LYS A1835 20.753 8.581 -66.700 1.00 22.47 C ATOM 403 O LYS A1835 20.853 9.809 -66.604 1.00 22.47 O ATOM 404 CB LYS A1835 21.531 7.577 -68.859 1.00 29.09 C ATOM 405 CG LYS A1835 22.734 7.157 -69.679 1.00 33.58 C ATOM 406 CD LYS A1835 23.790 8.260 -69.680 1.00 36.68 C ATOM 407 CE LYS A1835 24.955 7.942 -68.763 1.00 39.48 C ATOM 408 NZ LYS A1835 25.884 6.985 -69.424 1.00 42.52 N ATOM 409 HZ1 LYS A1835 25.374 6.106 -69.645 1.00 0.00 H ATOM 410 HZ2 LYS A1835 26.247 7.407 -70.302 1.00 0.00 H ATOM 411 HZ3 LYS A1835 26.677 6.776 -68.785 1.00 0.00 H ATOM 412 H LYS A1835 21.677 5.604 -67.229 1.00 0.00 H ATOM 413 N ASN A1836 19.724 7.897 -66.200 1.00 19.92 N ATOM 414 CA ASN A1836 18.519 8.533 -65.697 1.00 19.25 C ATOM 415 C ASN A1836 18.156 7.988 -64.309 1.00 17.18 C ATOM 416 O ASN A1836 17.343 7.110 -64.166 1.00 17.74 O ATOM 417 CB ASN A1836 17.346 8.344 -66.663 1.00 20.58 C ATOM 418 CG ASN A1836 17.572 9.015 -68.013 1.00 23.74 C ATOM 419 OD1 ASN A1836 17.509 8.355 -69.066 1.00 30.48 O ATOM 420 ND2 ASN A1836 17.780 10.318 -68.005 1.00 23.37 N ATOM 421 HD22 ASN A1836 17.826 10.832 -67.102 1.00 0.00 H ATOM 422 HD21 ASN A1836 17.898 10.831 -68.902 1.00 0.00 H ATOM 423 H ASN A1836 19.787 6.859 -66.169 1.00 0.00 H ATOM 424 N PRO A1837 18.819 8.493 -63.264 1.00 18.35 N ATOM 425 CA PRO A1837 18.541 8.022 -61.905 1.00 17.23 C ATOM 426 C PRO A1837 17.122 8.317 -61.413 1.00 16.68 C ATOM 427 O PRO A1837 16.506 9.303 -61.830 1.00 17.62 O ATOM 428 CB PRO A1837 19.572 8.775 -61.054 1.00 18.30 C ATOM 429 CG PRO A1837 19.969 9.947 -61.873 1.00 20.09 C ATOM 430 CD PRO A1837 19.795 9.595 -63.306 1.00 19.73 C ATOM 431 N MET A1838 16.594 7.422 -60.575 1.00 15.58 N ATOM 432 CA MET A1838 15.283 7.671 -59.974 1.00 14.99 C ATOM 433 C MET A1838 15.227 6.926 -58.658 1.00 15.12 C ATOM 434 O MET A1838 15.865 5.881 -58.522 1.00 15.60 O ATOM 435 CB MET A1838 14.181 7.222 -60.938 1.00 14.33 C ATOM 436 CG MET A1838 12.753 7.490 -60.490 1.00 14.46 C ATOM 437 SD MET A1838 12.425 9.199 -60.005 1.00 17.76 S ATOM 438 CE MET A1838 13.096 10.110 -61.396 1.00 17.76 C ATOM 439 H MET A1838 17.113 6.550 -60.350 1.00 0.00 H ATOM 440 N ASP A1839 14.467 7.464 -57.699 1.00 15.62 N ATOM 441 CA ASP A1839 14.321 6.829 -56.373 1.00 15.86 C ATOM 442 C ASP A1839 13.003 7.214 -55.747 1.00 15.25 C ATOM 443 O ASP A1839 12.298 8.088 -56.251 1.00 15.65 O ATOM 444 CB ASP A1839 15.451 7.301 -55.465 1.00 16.85 C ATOM 445 CG ASP A1839 15.324 8.779 -55.143 1.00 18.68 C ATOM 446 OD1 ASP A1839 15.705 9.590 -56.008 1.00 22.19 O ATOM 447 OD2 ASP A1839 14.741 9.151 -54.085 1.00 21.10 O ATOM 448 H ASP A1839 13.965 8.354 -57.892 1.00 0.00 H ATOM 449 N PHE A1840 12.650 6.563 -54.661 1.00 14.99 N ATOM 450 CA PHE A1840 11.332 6.786 -54.074 1.00 15.63 C ATOM 451 C PHE A1840 11.146 8.166 -53.483 1.00 17.03 C ATOM 452 O PHE A1840 10.041 8.638 -53.423 1.00 15.69 O ATOM 453 CB PHE A1840 11.009 5.716 -53.023 1.00 15.69 C ATOM 454 CG PHE A1840 10.899 4.319 -53.559 1.00 15.47 C ATOM 455 CD1 PHE A1840 10.648 4.037 -54.902 1.00 15.52 C ATOM 456 CD2 PHE A1840 10.987 3.248 -52.684 1.00 15.61 C ATOM 457 CE1 PHE A1840 10.577 2.729 -55.365 1.00 15.81 C ATOM 458 CE2 PHE A1840 10.855 1.955 -53.138 1.00 15.69 C ATOM 459 CZ PHE A1840 10.642 1.695 -54.477 1.00 15.03 C ATOM 460 H PHE A1840 13.309 5.890 -54.220 1.00 0.00 H ATOM 461 N SER A1841 12.218 8.788 -52.992 1.00 17.53 N ATOM 462 CA SER A1841 12.056 10.104 -52.369 1.00 18.74 C ATOM 463 C SER A1841 11.720 11.076 -53.468 1.00 17.74 C ATOM 464 O SER A1841 10.898 11.934 -53.289 1.00 17.58 O ATOM 465 CB SER A1841 13.309 10.568 -51.634 1.00 20.34 C ATOM 466 OG SER A1841 14.398 10.767 -52.533 1.00 25.84 O ATOM 467 HG SER A1841 14.602 9.916 -52.996 1.00 0.00 H ATOM 468 H SER A1841 13.157 8.345 -53.050 1.00 0.00 H ATOM 469 N THR A1842 12.357 10.938 -54.631 1.00 16.99 N ATOM 470 CA THR A1842 12.082 11.829 -55.734 1.00 17.69 C ATOM 471 C THR A1842 10.637 11.681 -56.229 1.00 16.72 C ATOM 472 O THR A1842 9.945 12.644 -56.572 1.00 16.61 O ATOM 473 CB THR A1842 13.111 11.570 -56.853 1.00 18.25 C ATOM 474 OG1 THR A1842 14.422 11.855 -56.327 1.00 21.69 O ATOM 475 CG2 THR A1842 12.840 12.429 -58.049 1.00 19.65 C ATOM 476 HG1 THR A1842 14.601 11.264 -55.553 1.00 0.00 H ATOM 477 H THR A1842 13.060 10.180 -54.745 1.00 0.00 H ATOM 478 N MET A1843 10.152 10.449 -56.208 1.00 15.36 N ATOM 479 CA MET A1843 8.751 10.164 -56.614 1.00 14.37 C ATOM 480 C MET A1843 7.769 10.776 -55.610 1.00 14.65 C ATOM 481 O MET A1843 6.731 11.289 -55.990 1.00 14.10 O ATOM 482 CB MET A1843 8.528 8.656 -56.727 1.00 15.58 C ATOM 483 CG MET A1843 9.330 8.106 -57.874 1.00 15.81 C ATOM 484 SD MET A1843 9.354 6.308 -58.022 1.00 16.39 S ATOM 485 CE MET A1843 7.636 5.909 -58.185 1.00 17.11 C ATOM 486 H MET A1843 10.763 9.666 -55.901 1.00 0.00 H ATOM 487 N ARG A1844 8.097 10.662 -54.337 1.00 14.78 N ATOM 488 CA ARG A1844 7.230 11.193 -53.272 1.00 16.82 C ATOM 489 C ARG A1844 7.141 12.708 -53.422 1.00 16.92 C ATOM 490 O ARG A1844 6.055 13.287 -53.267 1.00 17.56 O ATOM 491 CB ARG A1844 7.765 10.849 -51.878 1.00 20.39 C ATOM 492 CG ARG A1844 6.948 11.376 -50.721 1.00 26.32 C ATOM 493 CD ARG A1844 7.204 10.600 -49.410 1.00 30.75 C ATOM 494 NE ARG A1844 8.559 10.800 -48.901 1.00 38.03 N ATOM 495 CZ ARG A1844 9.600 10.007 -49.146 1.00 39.03 C ATOM 496 NH1 ARG A1844 9.462 8.919 -49.911 1.00 44.57 N ATOM 497 NH2 ARG A1844 10.795 10.301 -48.626 1.00 38.94 N ATOM 498 HE ARG A1844 8.724 11.631 -48.297 1.00 0.00 H ATOM 499 HH12 ARG A1844 10.282 8.306 -50.096 1.00 0.00 H ATOM 500 HH11 ARG A1844 8.535 8.686 -50.321 1.00 0.00 H ATOM 501 HH22 ARG A1844 11.610 9.684 -48.815 1.00 0.00 H ATOM 502 HH21 ARG A1844 10.910 11.147 -48.032 1.00 0.00 H ATOM 503 H ARG A1844 8.986 10.187 -54.081 1.00 0.00 H ATOM 504 N GLU A1845 8.285 13.340 -53.671 1.00 16.81 N ATOM 505 CA GLU A1845 8.322 14.838 -53.810 1.00 18.41 C ATOM 506 C GLU A1845 7.511 15.252 -55.053 1.00 18.54 C ATOM 507 O GLU A1845 6.768 16.245 -55.067 1.00 18.41 O ATOM 508 CB GLU A1845 9.771 15.365 -53.926 1.00 21.94 C ATOM 509 CG GLU A1845 10.616 15.178 -52.673 1.00 27.09 C ATOM 510 CD GLU A1845 12.129 15.286 -52.893 1.00 34.20 C ATOM 511 OE1 GLU A1845 12.610 15.324 -54.053 1.00 38.85 O ATOM 512 OE2 GLU A1845 12.854 15.327 -51.876 1.00 41.19 O ATOM 513 H GLU A1845 9.164 12.793 -53.771 1.00 0.00 H ATOM 514 N ARG A1846 7.614 14.470 -56.116 1.00 17.65 N ATOM 515 CA ARG A1846 6.856 14.780 -57.321 1.00 17.95 C ATOM 516 C ARG A1846 5.341 14.658 -57.092 1.00 17.69 C ATOM 517 O ARG A1846 4.560 15.487 -57.546 1.00 18.76 O ATOM 518 CB ARG A1846 7.365 13.925 -58.494 1.00 19.32 C ATOM 519 CG ARG A1846 6.732 14.326 -59.798 1.00 21.25 C ATOM 520 CD ARG A1846 7.567 13.895 -60.990 1.00 23.06 C ATOM 521 NE ARG A1846 6.778 14.108 -62.203 1.00 24.48 N ATOM 522 CZ ARG A1846 6.927 13.449 -63.352 1.00 26.33 C ATOM 523 NH1 ARG A1846 7.857 12.509 -63.512 1.00 25.77 N ATOM 524 NH2 ARG A1846 6.100 13.701 -64.348 1.00 27.37 N ATOM 525 HE ARG A1846 6.037 14.837 -62.166 1.00 0.00 H ATOM 526 HH12 ARG A1846 7.945 12.015 -64.423 1.00 0.00 H ATOM 527 HH11 ARG A1846 8.495 12.270 -62.726 1.00 0.00 H ATOM 528 HH22 ARG A1846 6.204 13.195 -65.251 1.00 0.00 H ATOM 529 HH21 ARG A1846 5.344 14.406 -64.231 1.00 0.00 H ATOM 530 H ARG A1846 8.235 13.636 -56.091 1.00 0.00 H ATOM 531 N LEU A1847 4.912 13.642 -56.353 1.00 16.61 N ATOM 532 CA LEU A1847 3.502 13.494 -56.013 1.00 16.79 C ATOM 533 C LEU A1847 3.035 14.667 -55.171 1.00 15.79 C ATOM 534 O LEU A1847 1.970 15.218 -55.446 1.00 15.80 O ATOM 535 CB LEU A1847 3.212 12.197 -55.225 1.00 18.03 C ATOM 536 CG LEU A1847 3.063 10.921 -56.043 1.00 18.70 C ATOM 537 CD1 LEU A1847 3.229 9.684 -55.183 1.00 19.33 C ATOM 538 CD2 LEU A1847 1.741 10.842 -56.775 1.00 19.84 C ATOM 539 H LEU A1847 5.596 12.937 -56.010 1.00 0.00 H ATOM 540 N LEU A1848 3.838 15.039 -54.164 1.00 16.73 N ATOM 541 CA LEU A1848 3.428 16.098 -53.220 1.00 16.65 C ATOM 542 C LEU A1848 3.247 17.417 -53.989 1.00 17.91 C ATOM 543 O LEU A1848 2.316 18.188 -53.692 1.00 18.30 O ATOM 544 CB LEU A1848 4.410 16.224 -52.048 1.00 18.70 C ATOM 545 CG LEU A1848 3.888 17.121 -50.896 1.00 21.48 C ATOM 546 CD1 LEU A1848 2.748 16.422 -50.197 1.00 22.21 C ATOM 547 CD2 LEU A1848 4.999 17.409 -49.897 1.00 24.17 C ATOM 548 H LEU A1848 4.762 14.576 -54.046 1.00 0.00 H ATOM 549 N ARG A1849 4.101 17.645 -54.994 1.00 16.94 N ATOM 550 CA ARG A1849 4.053 18.904 -55.763 1.00 19.62 C ATOM 551 C ARG A1849 3.060 18.859 -56.893 1.00 19.12 C ATOM 552 O ARG A1849 2.885 19.845 -57.626 1.00 19.31 O ATOM 553 CB ARG A1849 5.435 19.268 -56.290 1.00 20.91 C ATOM 554 CG ARG A1849 6.440 19.656 -55.221 1.00 24.86 C ATOM 555 CD ARG A1849 7.729 20.156 -55.877 1.00 28.92 C ATOM 556 NE ARG A1849 8.250 19.179 -56.850 1.00 29.62 N ATOM 557 CZ ARG A1849 9.409 18.509 -56.757 1.00 31.57 C ATOM 558 NH1 ARG A1849 10.276 18.725 -55.757 1.00 32.15 N ATOM 559 NH2 ARG A1849 9.715 17.629 -57.701 1.00 29.59 N ATOM 560 HE ARG A1849 7.664 18.991 -57.688 1.00 0.00 H ATOM 561 HH12 ARG A1849 11.166 18.188 -55.715 1.00 0.00 H ATOM 562 HH11 ARG A1849 10.059 19.429 -55.023 1.00 0.00 H ATOM 563 HH22 ARG A1849 10.608 17.099 -57.648 1.00 0.00 H ATOM 564 HH21 ARG A1849 9.062 17.469 -58.494 1.00 0.00 H ATOM 565 H ARG A1849 4.810 16.924 -55.237 1.00 0.00 H ATOM 566 N GLY A1850 2.386 17.731 -57.072 1.00 18.93 N ATOM 567 CA GLY A1850 1.456 17.581 -58.181 1.00 19.73 C ATOM 568 C GLY A1850 2.080 17.398 -59.558 1.00 19.49 C ATOM 569 O GLY A1850 1.445 17.685 -60.576 1.00 22.36 O ATOM 570 H GLY A1850 2.524 16.941 -56.409 1.00 0.00 H ATOM 571 N GLY A1851 3.301 16.876 -59.621 1.00 18.52 N ATOM 572 CA GLY A1851 4.041 16.742 -60.860 1.00 18.74 C ATOM 573 C GLY A1851 3.697 15.563 -61.756 1.00 20.29 C ATOM 574 O GLY A1851 4.197 15.474 -62.872 1.00 22.78 O ATOM 575 H GLY A1851 3.746 16.548 -58.740 1.00 0.00 H ATOM 576 N TYR A1852 2.892 14.638 -61.257 1.00 19.46 N ATOM 577 CA TYR A1852 2.362 13.551 -62.084 1.00 20.33 C ATOM 578 C TYR A1852 0.946 13.912 -62.511 1.00 21.63 C ATOM 579 O TYR A1852 0.098 14.206 -61.662 1.00 22.65 O ATOM 580 CB TYR A1852 2.296 12.255 -61.293 1.00 19.39 C ATOM 581 CG TYR A1852 3.632 11.702 -60.905 1.00 18.08 C ATOM 582 CD1 TYR A1852 4.574 11.349 -61.872 1.00 18.14 C ATOM 583 CD2 TYR A1852 3.976 11.514 -59.559 1.00 17.68 C ATOM 584 CE1 TYR A1852 5.787 10.829 -61.515 1.00 17.38 C ATOM 585 CE2 TYR A1852 5.209 10.998 -59.190 1.00 17.87 C ATOM 586 CZ TYR A1852 6.112 10.641 -60.169 1.00 17.79 C ATOM 587 OH TYR A1852 7.338 10.126 -59.805 1.00 18.34 O ATOM 588 HH TYR A1852 7.864 9.922 -60.619 1.00 0.00 H ATOM 589 H TYR A1852 2.629 14.684 -60.252 1.00 0.00 H ATOM 590 N THR A1853 0.687 13.856 -63.813 1.00 21.97 N ATOM 591 CA THR A1853 -0.638 14.171 -64.334 1.00 24.39 C ATOM 592 C THR A1853 -1.437 12.905 -64.633 1.00 23.04 C ATOM 593 O THR A1853 -2.605 12.966 -65.025 1.00 24.59 O ATOM 594 CB THR A1853 -0.520 15.012 -65.607 1.00 25.54 C ATOM 595 OG1 THR A1853 0.203 14.299 -66.603 1.00 27.59 O ATOM 596 CG2 THR A1853 0.214 16.310 -65.321 1.00 29.44 C ATOM 597 HG1 THR A1853 1.111 14.092 -66.266 1.00 0.00 H ATOM 598 H THR A1853 1.443 13.582 -64.473 1.00 0.00 H ATOM 599 N SER A1854 -0.800 11.750 -64.450 1.00 20.83 N ATOM 600 CA SER A1854 -1.468 10.485 -64.637 1.00 18.95 C ATOM 601 C SER A1854 -0.742 9.398 -63.912 1.00 16.68 C ATOM 602 O SER A1854 0.437 9.557 -63.573 1.00 16.48 O ATOM 603 CB SER A1854 -1.488 10.125 -66.107 1.00 19.74 C ATOM 604 OG SER A1854 -0.184 9.796 -66.586 1.00 20.15 O ATOM 605 HG SER A1854 -0.235 9.567 -67.548 1.00 0.00 H ATOM 606 H SER A1854 0.200 11.760 -64.166 1.00 0.00 H ATOM 607 N SER A1855 -1.436 8.283 -63.695 1.00 16.31 N ATOM 608 CA SER A1855 -0.797 7.141 -63.057 1.00 15.98 C ATOM 609 C SER A1855 0.257 6.554 -64.004 1.00 16.21 C ATOM 610 O SER A1855 1.220 6.002 -63.538 1.00 15.31 O ATOM 611 CB SER A1855 -1.821 6.084 -62.664 1.00 18.16 C ATOM 612 OG SER A1855 -2.592 5.749 -63.782 1.00 22.38 O ATOM 613 HG SER A1855 -3.059 6.557 -64.113 1.00 0.00 H ATOM 614 H SER A1855 -2.434 8.228 -63.981 1.00 0.00 H ATOM 615 N GLU A1856 0.108 6.745 -65.313 1.00 16.79 N ATOM 616 CA GLU A1856 1.152 6.309 -66.237 1.00 17.57 C ATOM 617 C GLU A1856 2.477 7.025 -66.053 1.00 16.40 C ATOM 618 O GLU A1856 3.530 6.397 -66.145 1.00 16.91 O ATOM 619 CB GLU A1856 0.674 6.361 -67.676 1.00 21.60 C ATOM 620 CG GLU A1856 -0.232 5.176 -67.952 1.00 25.21 C ATOM 621 CD GLU A1856 -0.936 5.226 -69.296 1.00 30.46 C ATOM 622 OE1 GLU A1856 -0.723 6.194 -70.088 1.00 33.90 O ATOM 623 OE2 GLU A1856 -1.678 4.253 -69.555 1.00 37.64 O ATOM 624 H GLU A1856 -0.751 7.204 -65.677 1.00 0.00 H ATOM 625 N GLU A1857 2.453 8.330 -65.780 1.00 15.75 N ATOM 626 CA GLU A1857 3.708 9.012 -65.496 1.00 15.87 C ATOM 627 C GLU A1857 4.403 8.484 -64.245 1.00 14.59 C ATOM 628 O GLU A1857 5.631 8.365 -64.186 1.00 14.86 O ATOM 629 CB GLU A1857 3.476 10.522 -65.373 1.00 17.14 C ATOM 630 CG GLU A1857 3.126 11.201 -66.682 1.00 20.39 C ATOM 631 CD GLU A1857 3.059 12.704 -66.537 1.00 24.14 C ATOM 632 OE1 GLU A1857 3.117 13.419 -67.582 1.00 28.49 O ATOM 633 OE2 GLU A1857 2.931 13.178 -65.391 1.00 24.93 O ATOM 634 H GLU A1857 1.553 8.852 -65.770 1.00 0.00 H ATOM 635 N PHE A1858 3.607 8.157 -63.236 1.00 13.76 N ATOM 636 CA PHE A1858 4.132 7.564 -62.013 1.00 13.91 C ATOM 637 C PHE A1858 4.752 6.214 -62.303 1.00 13.12 C ATOM 638 O PHE A1858 5.839 5.904 -61.827 1.00 13.65 O ATOM 639 CB PHE A1858 2.994 7.438 -61.005 1.00 13.66 C ATOM 640 CG PHE A1858 3.344 6.675 -59.782 1.00 14.13 C ATOM 641 CD1 PHE A1858 4.005 7.290 -58.742 1.00 14.90 C ATOM 642 CD2 PHE A1858 3.017 5.331 -59.658 1.00 14.43 C ATOM 643 CE1 PHE A1858 4.292 6.589 -57.570 1.00 15.39 C ATOM 644 CE2 PHE A1858 3.310 4.636 -58.513 1.00 14.65 C ATOM 645 CZ PHE A1858 3.953 5.256 -57.468 1.00 14.98 C ATOM 646 H PHE A1858 2.585 8.328 -63.320 1.00 0.00 H ATOM 647 N ALA A1859 4.048 5.398 -63.066 1.00 13.28 N ATOM 648 CA ALA A1859 4.539 4.071 -63.444 1.00 13.48 C ATOM 649 C ALA A1859 5.887 4.186 -64.171 1.00 12.71 C ATOM 650 O ALA A1859 6.755 3.373 -63.949 1.00 13.99 O ATOM 651 CB ALA A1859 3.569 3.369 -64.334 1.00 13.84 C ATOM 652 H ALA A1859 3.116 5.707 -63.409 1.00 0.00 H ATOM 653 N ALA A1860 6.053 5.166 -65.054 1.00 12.85 N ATOM 654 CA ALA A1860 7.310 5.310 -65.755 1.00 13.07 C ATOM 655 C ALA A1860 8.462 5.502 -64.773 1.00 13.14 C ATOM 656 O ALA A1860 9.552 5.003 -64.992 1.00 14.29 O ATOM 657 CB ALA A1860 7.258 6.467 -66.724 1.00 13.82 C ATOM 658 H ALA A1860 5.276 5.832 -65.241 1.00 0.00 H ATOM 659 N ASP A1861 8.248 6.282 -63.704 1.00 12.79 N ATOM 660 CA ASP A1861 9.327 6.455 -62.747 1.00 13.21 C ATOM 661 C ASP A1861 9.601 5.205 -61.938 1.00 12.44 C ATOM 662 O ASP A1861 10.755 4.879 -61.667 1.00 13.13 O ATOM 663 CB ASP A1861 9.037 7.648 -61.808 1.00 14.25 C ATOM 664 CG ASP A1861 9.391 8.982 -62.419 1.00 16.79 C ATOM 665 OD1 ASP A1861 10.016 9.064 -63.507 1.00 19.67 O ATOM 666 OD2 ASP A1861 9.006 9.984 -61.803 1.00 18.53 O ATOM 667 H ASP A1861 7.331 6.752 -63.563 1.00 0.00 H ATOM 668 N ALA A1862 8.554 4.502 -61.531 1.00 12.51 N ATOM 669 CA ALA A1862 8.740 3.243 -60.794 1.00 12.65 C ATOM 670 C ALA A1862 9.559 2.275 -61.636 1.00 12.85 C ATOM 671 O ALA A1862 10.515 1.654 -61.133 1.00 13.15 O ATOM 672 CB ALA A1862 7.403 2.641 -60.480 1.00 13.43 C ATOM 673 H ALA A1862 7.593 4.843 -61.734 1.00 0.00 H ATOM 674 N LEU A1863 9.190 2.148 -62.918 1.00 13.41 N ATOM 675 CA LEU A1863 9.912 1.255 -63.829 1.00 13.90 C ATOM 676 C LEU A1863 11.377 1.659 -63.991 1.00 14.13 C ATOM 677 O LEU A1863 12.249 0.782 -64.108 1.00 14.54 O ATOM 678 CB LEU A1863 9.220 1.126 -65.185 1.00 15.79 C ATOM 679 CG LEU A1863 7.922 0.326 -65.189 1.00 17.61 C ATOM 680 CD1 LEU A1863 7.067 0.615 -66.396 1.00 17.90 C ATOM 681 CD2 LEU A1863 8.194 -1.172 -65.152 1.00 19.61 C ATOM 682 H LEU A1863 8.378 2.692 -63.273 1.00 0.00 H ATOM 683 N LEU A1864 11.668 2.951 -64.012 1.00 13.57 N ATOM 684 CA LEU A1864 13.053 3.405 -64.065 1.00 14.59 C ATOM 685 C LEU A1864 13.841 2.943 -62.832 1.00 14.34 C ATOM 686 O LEU A1864 14.970 2.491 -62.942 1.00 13.82 O ATOM 687 CB LEU A1864 13.065 4.921 -64.201 1.00 17.09 C ATOM 688 CG LEU A1864 14.326 5.640 -64.519 1.00 19.04 C ATOM 689 CD1 LEU A1864 14.966 5.060 -65.754 1.00 18.80 C ATOM 690 CD2 LEU A1864 13.955 7.112 -64.726 1.00 18.72 C ATOM 691 H LEU A1864 10.899 3.651 -63.990 1.00 0.00 H ATOM 692 N VAL A1865 13.233 3.025 -61.654 1.00 12.80 N ATOM 693 CA VAL A1865 13.861 2.502 -60.464 1.00 13.86 C ATOM 694 C VAL A1865 14.254 1.035 -60.629 1.00 14.12 C ATOM 695 O VAL A1865 15.394 0.650 -60.343 1.00 14.96 O ATOM 696 CB VAL A1865 12.974 2.622 -59.214 1.00 13.76 C ATOM 697 CG1 VAL A1865 13.628 1.985 -58.002 1.00 14.42 C ATOM 698 CG2 VAL A1865 12.657 4.067 -58.895 1.00 13.98 C ATOM 699 H VAL A1865 12.295 3.470 -61.588 1.00 0.00 H ATOM 700 N PHE A1866 13.309 0.240 -61.100 1.00 13.89 N ATOM 701 CA PHE A1866 13.507 -1.196 -61.181 1.00 13.81 C ATOM 702 C PHE A1866 14.489 -1.546 -62.292 1.00 14.38 C ATOM 703 O PHE A1866 15.321 -2.458 -62.134 1.00 14.57 O ATOM 704 CB PHE A1866 12.179 -1.933 -61.455 1.00 14.75 C ATOM 705 CG PHE A1866 11.003 -1.554 -60.540 1.00 16.33 C ATOM 706 CD1 PHE A1866 11.189 -1.241 -59.229 1.00 17.23 C ATOM 707 CD2 PHE A1866 9.714 -1.579 -61.045 1.00 16.88 C ATOM 708 CE1 PHE A1866 10.118 -0.896 -58.405 1.00 17.17 C ATOM 709 CE2 PHE A1866 8.643 -1.241 -60.238 1.00 17.57 C ATOM 710 CZ PHE A1866 8.854 -0.911 -58.924 1.00 17.36 C ATOM 711 H PHE A1866 12.408 0.650 -61.418 1.00 0.00 H ATOM 712 N ASP A1867 14.371 -0.855 -63.428 1.00 13.29 N ATOM 713 CA ASP A1867 15.268 -1.098 -64.568 1.00 14.40 C ATOM 714 C ASP A1867 16.707 -0.658 -64.290 1.00 13.67 C ATOM 715 O ASP A1867 17.638 -1.339 -64.684 1.00 13.94 O ATOM 716 CB ASP A1867 14.765 -0.361 -65.792 1.00 15.30 C ATOM 717 CG ASP A1867 13.447 -0.906 -66.314 1.00 17.87 C ATOM 718 OD1 ASP A1867 12.992 -2.005 -65.908 1.00 20.29 O ATOM 719 OD2 ASP A1867 12.872 -0.184 -67.187 1.00 20.76 O ATOM 720 H ASP A1867 13.630 -0.130 -63.509 1.00 0.00 H ATOM 721 N ASN A1868 16.883 0.481 -63.623 1.00 13.58 N ATOM 722 CA ASN A1868 18.216 0.916 -63.237 1.00 13.65 C ATOM 723 C ASN A1868 18.838 -0.123 -62.327 1.00 13.62 C ATOM 724 O ASN A1868 20.014 -0.483 -62.497 1.00 14.12 O ATOM 725 CB ASN A1868 18.165 2.250 -62.512 1.00 14.03 C ATOM 726 CG ASN A1868 17.885 3.429 -63.440 1.00 14.41 C ATOM 727 OD1 ASN A1868 17.955 3.319 -64.660 1.00 15.70 O ATOM 728 ND2 ASN A1868 17.587 4.582 -62.830 1.00 14.22 N ATOM 729 HD22 ASN A1868 17.540 4.624 -61.792 1.00 0.00 H ATOM 730 HD21 ASN A1868 17.403 5.436 -63.394 1.00 0.00 H ATOM 731 H ASN A1868 16.059 1.065 -63.376 1.00 0.00 H ATOM 732 N CYS A1869 18.040 -0.661 -61.399 1.00 13.35 N ATOM 733 CA CYS A1869 18.546 -1.658 -60.450 1.00 14.14 C ATOM 734 C CYS A1869 19.013 -2.936 -61.158 1.00 13.95 C ATOM 735 O CYS A1869 20.115 -3.461 -60.871 1.00 13.89 O ATOM 736 CB CYS A1869 17.465 -2.007 -59.442 1.00 14.14 C ATOM 737 SG CYS A1869 18.031 -3.072 -58.095 1.00 15.83 S ATOM 738 H CYS A1869 17.044 -0.367 -61.349 1.00 0.00 H ATOM 739 N GLN A1870 18.203 -3.397 -62.108 1.00 13.50 N ATOM 740 CA GLN A1870 18.528 -4.603 -62.860 1.00 14.25 C ATOM 741 C GLN A1870 19.803 -4.392 -63.675 1.00 15.30 C ATOM 742 O GLN A1870 20.647 -5.299 -63.836 1.00 16.29 O ATOM 743 CB GLN A1870 17.351 -4.945 -63.765 1.00 15.84 C ATOM 744 CG GLN A1870 17.588 -6.191 -64.608 1.00 18.64 C ATOM 745 CD GLN A1870 17.642 -7.444 -63.786 1.00 22.18 C ATOM 746 OE1 GLN A1870 16.843 -7.630 -62.854 1.00 26.60 O ATOM 747 NE2 GLN A1870 18.524 -8.363 -64.171 1.00 24.36 N ATOM 748 HE22 GLN A1870 19.174 -8.162 -64.958 1.00 0.00 H ATOM 749 HE21 GLN A1870 18.563 -9.282 -63.685 1.00 0.00 H ATOM 750 H GLN A1870 17.321 -2.887 -62.318 1.00 0.00 H ATOM 751 N THR A1871 19.926 -3.196 -64.212 1.00 13.92 N ATOM 752 CA THR A1871 21.022 -2.837 -65.110 1.00 14.50 C ATOM 753 C THR A1871 22.322 -2.815 -64.324 1.00 14.86 C ATOM 754 O THR A1871 23.326 -3.389 -64.734 1.00 16.55 O ATOM 755 CB THR A1871 20.755 -1.472 -65.799 1.00 15.22 C ATOM 756 OG1 THR A1871 19.643 -1.624 -66.689 1.00 15.73 O ATOM 757 CG2 THR A1871 21.974 -1.015 -66.604 1.00 15.53 C ATOM 758 HG1 THR A1871 18.846 -1.906 -66.174 1.00 0.00 H ATOM 759 H THR A1871 19.211 -2.475 -63.987 1.00 0.00 H ATOM 760 N PHE A1872 22.279 -2.203 -63.146 1.00 14.37 N ATOM 761 CA PHE A1872 23.515 -1.926 -62.417 1.00 13.99 C ATOM 762 C PHE A1872 24.028 -3.093 -61.571 1.00 14.02 C ATOM 763 O PHE A1872 25.243 -3.251 -61.457 1.00 15.81 O ATOM 764 CB PHE A1872 23.309 -0.664 -61.557 1.00 14.47 C ATOM 765 CG PHE A1872 24.536 -0.205 -60.837 1.00 15.11 C ATOM 766 CD1 PHE A1872 25.452 0.609 -61.476 1.00 15.36 C ATOM 767 CD2 PHE A1872 24.772 -0.612 -59.541 1.00 15.29 C ATOM 768 CE1 PHE A1872 26.580 1.027 -60.815 1.00 16.06 C ATOM 769 CE2 PHE A1872 25.901 -0.162 -58.874 1.00 15.70 C ATOM 770 CZ PHE A1872 26.814 0.609 -59.547 1.00 15.93 C ATOM 771 H PHE A1872 21.364 -1.920 -62.741 1.00 0.00 H ATOM 772 N ASN A1873 23.125 -3.849 -60.933 1.00 14.62 N ATOM 773 CA ASN A1873 23.484 -4.793 -59.856 1.00 15.71 C ATOM 774 C ASN A1873 23.409 -6.233 -60.313 1.00 16.51 C ATOM 775 O ASN A1873 22.568 -6.583 -61.105 1.00 15.91 O ATOM 776 CB ASN A1873 22.535 -4.649 -58.670 1.00 16.39 C ATOM 777 CG ASN A1873 22.567 -3.267 -58.058 1.00 17.21 C ATOM 778 OD1 ASN A1873 23.409 -2.961 -57.221 1.00 18.27 O ATOM 779 ND2 ASN A1873 21.636 -2.407 -58.484 1.00 16.19 N ATOM 780 HD22 ASN A1873 20.939 -2.706 -59.196 1.00 0.00 H ATOM 781 HD21 ASN A1873 21.609 -1.439 -58.104 1.00 0.00 H ATOM 782 H ASN A1873 22.126 -3.767 -61.209 1.00 0.00 H ATOM 783 N GLU A1874 24.273 -7.080 -59.756 1.00 17.89 N ATOM 784 CA GLU A1874 24.184 -8.497 -60.025 1.00 19.54 C ATOM 785 C GLU A1874 22.837 -9.037 -59.504 1.00 20.15 C ATOM 786 O GLU A1874 22.329 -8.604 -58.478 1.00 19.45 O ATOM 787 CB GLU A1874 25.314 -9.256 -59.339 1.00 21.81 C ATOM 788 CG GLU A1874 26.738 -8.875 -59.753 1.00 22.76 C ATOM 789 CD GLU A1874 27.229 -9.486 -61.057 1.00 25.71 C ATOM 790 OE1 GLU A1874 26.457 -10.188 -61.737 1.00 26.35 O ATOM 791 OE2 GLU A1874 28.418 -9.235 -61.393 1.00 26.81 O ATOM 792 H GLU A1874 25.016 -6.719 -59.124 1.00 0.00 H ATOM 793 N ASP A1875 22.267 -10.004 -60.199 1.00 21.52 N ATOM 794 CA ASP A1875 20.982 -10.537 -59.786 1.00 24.58 C ATOM 795 C ASP A1875 21.040 -11.215 -58.427 1.00 24.47 C ATOM 796 O ASP A1875 20.055 -11.180 -57.689 1.00 25.05 O ATOM 797 CB ASP A1875 20.421 -11.464 -60.866 1.00 27.49 C ATOM 798 CG ASP A1875 20.285 -10.747 -62.188 1.00 31.47 C ATOM 799 OD1 ASP A1875 19.458 -9.812 -62.260 1.00 31.23 O ATOM 800 OD2 ASP A1875 21.044 -11.081 -63.135 1.00 35.37 O ATOM 801 H ASP A1875 22.740 -10.384 -61.044 1.00 0.00 H ATOM 802 N ASP A1876 22.186 -11.800 -58.071 1.00 24.51 N ATOM 803 CA ASP A1876 22.318 -12.442 -56.756 1.00 25.94 C ATOM 804 C ASP A1876 22.778 -11.538 -55.618 1.00 24.48 C ATOM 805 O ASP A1876 22.941 -12.013 -54.480 1.00 25.29 O ATOM 806 CB ASP A1876 23.188 -13.723 -56.826 1.00 28.81 C ATOM 807 CG ASP A1876 24.678 -13.452 -57.103 1.00 33.93 C ATOM 808 OD1 ASP A1876 25.087 -12.311 -57.399 1.00 38.77 O ATOM 809 OD2 ASP A1876 25.463 -14.441 -57.057 1.00 41.64 O ATOM 810 H ASP A1876 22.991 -11.801 -58.729 1.00 0.00 H ATOM 811 N SER A1877 22.961 -10.246 -55.902 1.00 21.93 N ATOM 812 CA SER A1877 23.353 -9.247 -54.910 1.00 20.37 C ATOM 813 C SER A1877 22.141 -8.878 -54.071 1.00 20.15 C ATOM 814 O SER A1877 20.999 -9.104 -54.492 1.00 19.20 O ATOM 815 CB SER A1877 23.924 -8.002 -55.567 1.00 19.99 C ATOM 816 OG SER A1877 22.930 -7.280 -56.294 1.00 18.85 O ATOM 817 HG SER A1877 22.554 -7.860 -57.003 1.00 0.00 H ATOM 818 H SER A1877 22.817 -9.933 -56.883 1.00 0.00 H ATOM 819 N GLU A1878 22.390 -8.347 -52.881 1.00 21.55 N ATOM 820 CA GLU A1878 21.295 -7.957 -52.016 1.00 22.86 C ATOM 821 C GLU A1878 20.433 -6.897 -52.696 1.00 20.57 C ATOM 822 O GLU A1878 19.205 -6.980 -52.653 1.00 21.25 O ATOM 823 CB GLU A1878 21.813 -7.482 -50.655 1.00 26.52 C ATOM 824 CG GLU A1878 22.360 -8.630 -49.821 1.00 32.90 C ATOM 825 CD GLU A1878 21.334 -9.745 -49.626 1.00 38.08 C ATOM 826 OE1 GLU A1878 20.223 -9.448 -49.130 1.00 45.91 O ATOM 827 OE2 GLU A1878 21.628 -10.911 -49.989 1.00 40.83 O ATOM 828 H GLU A1878 23.373 -8.210 -52.569 1.00 0.00 H ATOM 829 N VAL A1879 21.082 -5.926 -53.323 1.00 18.47 N ATOM 830 CA VAL A1879 20.333 -4.860 -54.008 1.00 17.83 C ATOM 831 C VAL A1879 19.597 -5.395 -55.236 1.00 16.84 C ATOM 832 O VAL A1879 18.436 -5.066 -55.464 1.00 17.20 O ATOM 833 CB VAL A1879 21.204 -3.619 -54.290 1.00 18.23 C ATOM 834 CG1 VAL A1879 20.458 -2.581 -55.143 1.00 18.22 C ATOM 835 CG2 VAL A1879 21.590 -2.954 -52.983 1.00 18.52 C ATOM 836 H VAL A1879 22.122 -5.917 -53.331 1.00 0.00 H ATOM 837 N GLY A1880 20.265 -6.255 -56.032 1.00 15.93 N ATOM 838 CA GLY A1880 19.609 -6.926 -57.156 1.00 16.85 C ATOM 839 C GLY A1880 18.341 -7.662 -56.740 1.00 17.00 C ATOM 840 O GLY A1880 17.278 -7.509 -57.341 1.00 16.40 O ATOM 841 H GLY A1880 21.270 -6.446 -55.843 1.00 0.00 H ATOM 842 N LYS A1881 18.460 -8.476 -55.701 1.00 17.65 N ATOM 843 CA LYS A1881 17.311 -9.172 -55.181 1.00 18.83 C ATOM 844 C LYS A1881 16.192 -8.235 -54.732 1.00 18.26 C ATOM 845 O LYS A1881 15.007 -8.549 -54.933 1.00 18.87 O ATOM 846 CB LYS A1881 17.738 -10.066 -54.015 1.00 20.27 C ATOM 847 CG LYS A1881 18.455 -11.312 -54.461 1.00 22.37 C ATOM 848 CD LYS A1881 18.862 -12.175 -53.281 1.00 25.14 C ATOM 849 CE LYS A1881 20.125 -11.728 -52.596 1.00 28.82 C ATOM 850 NZ LYS A1881 20.721 -12.872 -51.843 1.00 32.83 N ATOM 851 HZ1 LYS A1881 20.042 -13.208 -51.131 1.00 0.00 H ATOM 852 HZ2 LYS A1881 20.941 -13.644 -52.505 1.00 0.00 H ATOM 853 HZ3 LYS A1881 21.593 -12.558 -51.372 1.00 0.00 H ATOM 854 H LYS A1881 19.391 -8.613 -55.257 1.00 0.00 H ATOM 855 N ALA A1882 16.574 -7.116 -54.111 1.00 18.07 N ATOM 856 CA ALA A1882 15.642 -6.130 -53.570 1.00 17.60 C ATOM 857 C ALA A1882 14.823 -5.510 -54.688 1.00 17.07 C ATOM 858 O ALA A1882 13.602 -5.356 -54.572 1.00 16.74 O ATOM 859 CB ALA A1882 16.370 -5.061 -52.747 1.00 17.58 C ATOM 860 H ALA A1882 17.593 -6.936 -54.007 1.00 0.00 H ATOM 861 N GLY A1883 15.481 -5.179 -55.793 1.00 17.31 N ATOM 862 CA GLY A1883 14.748 -4.680 -56.945 1.00 17.40 C ATOM 863 C GLY A1883 13.729 -5.661 -57.506 1.00 17.58 C ATOM 864 O GLY A1883 12.639 -5.262 -57.936 1.00 16.86 O ATOM 865 H GLY A1883 16.516 -5.276 -55.834 1.00 0.00 H ATOM 866 N HIS A1884 14.076 -6.954 -57.549 1.00 19.28 N ATOM 867 CA HIS A1884 13.121 -7.963 -57.997 1.00 19.70 C ATOM 868 C HIS A1884 11.914 -8.060 -57.071 1.00 18.86 C ATOM 869 O HIS A1884 10.770 -8.107 -57.530 1.00 18.83 O ATOM 870 CB HIS A1884 13.807 -9.323 -58.112 1.00 20.28 C ATOM 871 CG HIS A1884 14.887 -9.365 -59.133 1.00 23.88 C ATOM 872 ND1 HIS A1884 15.943 -10.251 -59.062 1.00 29.14 N ATOM 873 CD2 HIS A1884 15.074 -8.646 -60.263 1.00 25.58 C ATOM 874 CE1 HIS A1884 16.735 -10.074 -60.105 1.00 28.17 C ATOM 875 NE2 HIS A1884 16.228 -9.111 -60.853 1.00 27.55 N ATOM 876 H HIS A1884 15.033 -7.241 -57.261 1.00 0.00 H ATOM 877 N ILE A1885 12.156 -8.052 -55.760 1.00 18.79 N ATOM 878 CA ILE A1885 11.055 -7.959 -54.782 1.00 19.80 C ATOM 879 C ILE A1885 10.155 -6.755 -55.011 1.00 18.46 C ATOM 880 O ILE A1885 8.926 -6.913 -55.032 1.00 19.27 O ATOM 881 CB ILE A1885 11.598 -7.951 -53.316 1.00 20.41 C ATOM 882 CG1 ILE A1885 12.268 -9.296 -53.000 1.00 23.88 C ATOM 883 CG2 ILE A1885 10.490 -7.696 -52.311 1.00 21.54 C ATOM 884 CD1 ILE A1885 13.204 -9.263 -51.804 1.00 24.49 C ATOM 885 H ILE A1885 13.137 -8.112 -55.421 1.00 0.00 H ATOM 886 N MET A1886 10.733 -5.547 -55.173 1.00 18.13 N ATOM 887 CA MET A1886 9.936 -4.354 -55.394 1.00 18.79 C ATOM 888 C MET A1886 9.110 -4.413 -56.649 1.00 16.63 C ATOM 889 O MET A1886 7.941 -4.040 -56.635 1.00 16.66 O ATOM 890 CB MET A1886 10.828 -3.084 -55.470 1.00 20.20 C ATOM 891 CG MET A1886 11.514 -2.681 -54.185 1.00 22.38 C ATOM 892 SD MET A1886 10.399 -2.007 -52.917 1.00 26.26 S ATOM 893 CE MET A1886 10.422 -3.578 -52.061 1.00 20.87 C ATOM 894 H MET A1886 11.769 -5.469 -55.139 1.00 0.00 H ATOM 895 N ARG A1887 9.699 -4.867 -57.753 1.00 15.59 N ATOM 896 CA ARG A1887 8.948 -4.923 -59.000 1.00 16.04 C ATOM 897 C ARG A1887 7.756 -5.872 -58.858 1.00 16.53 C ATOM 898 O ARG A1887 6.656 -5.578 -59.286 1.00 17.09 O ATOM 899 CB ARG A1887 9.855 -5.366 -60.178 1.00 17.15 C ATOM 900 CG ARG A1887 9.144 -5.271 -61.522 1.00 19.60 C ATOM 901 CD ARG A1887 9.867 -6.045 -62.612 1.00 20.64 C ATOM 902 NE ARG A1887 11.148 -5.466 -62.967 1.00 21.97 N ATOM 903 CZ ARG A1887 11.357 -4.526 -63.900 1.00 22.85 C ATOM 904 NH1 ARG A1887 10.358 -4.029 -64.623 1.00 24.47 N ATOM 905 NH2 ARG A1887 12.597 -4.101 -64.116 1.00 23.90 N ATOM 906 HE ARG A1887 11.982 -5.812 -62.450 1.00 0.00 H ATOM 907 HH12 ARG A1887 10.548 -3.300 -65.340 1.00 0.00 H ATOM 908 HH11 ARG A1887 9.387 -4.369 -64.471 1.00 0.00 H ATOM 909 HH22 ARG A1887 12.779 -3.372 -64.835 1.00 0.00 H ATOM 910 HH21 ARG A1887 13.386 -4.497 -63.566 1.00 0.00 H ATOM 911 H ARG A1887 10.690 -5.180 -57.725 1.00 0.00 H ATOM 912 N ARG A1888 8.005 -7.065 -58.328 1.00 17.57 N ATOM 913 CA ARG A1888 6.930 -8.042 -58.115 1.00 19.15 C ATOM 914 C ARG A1888 5.821 -7.467 -57.253 1.00 17.17 C ATOM 915 O ARG A1888 4.654 -7.617 -57.579 1.00 18.59 O ATOM 916 CB ARG A1888 7.484 -9.294 -57.410 1.00 22.27 C ATOM 917 CG ARG A1888 8.250 -10.257 -58.305 1.00 27.84 C ATOM 918 CD ARG A1888 8.356 -11.645 -57.654 1.00 32.07 C ATOM 919 NE ARG A1888 9.386 -11.667 -56.611 1.00 35.97 N ATOM 920 CZ ARG A1888 10.701 -11.789 -56.829 1.00 37.97 C ATOM 921 NH1 ARG A1888 11.181 -11.941 -58.063 1.00 39.48 N ATOM 922 NH2 ARG A1888 11.544 -11.771 -55.800 1.00 37.95 N ATOM 923 HE ARG A1888 9.070 -11.581 -55.624 1.00 0.00 H ATOM 924 HH12 ARG A1888 12.206 -12.034 -58.215 1.00 0.00 H ATOM 925 HH11 ARG A1888 10.531 -11.966 -58.874 1.00 0.00 H ATOM 926 HH22 ARG A1888 12.567 -11.865 -55.964 1.00 0.00 H ATOM 927 HH21 ARG A1888 11.180 -11.663 -54.832 1.00 0.00 H ATOM 928 H ARG A1888 8.979 -7.311 -58.059 1.00 0.00 H ATOM 929 N PHE A1889 6.184 -6.789 -56.161 1.00 15.90 N ATOM 930 CA PHE A1889 5.155 -6.187 -55.301 1.00 15.91 C ATOM 931 C PHE A1889 4.385 -5.101 -56.056 1.00 14.63 C ATOM 932 O PHE A1889 3.175 -5.015 -56.007 1.00 15.71 O ATOM 933 CB PHE A1889 5.757 -5.576 -54.028 1.00 16.10 C ATOM 934 CG PHE A1889 4.701 -4.961 -53.136 1.00 16.53 C ATOM 935 CD1 PHE A1889 3.808 -5.750 -52.404 1.00 17.03 C ATOM 936 CD2 PHE A1889 4.548 -3.596 -53.070 1.00 16.46 C ATOM 937 CE1 PHE A1889 2.818 -5.171 -51.633 1.00 18.83 C ATOM 938 CE2 PHE A1889 3.554 -3.022 -52.318 1.00 17.36 C ATOM 939 CZ PHE A1889 2.693 -3.802 -51.584 1.00 17.19 C ATOM 940 H PHE A1889 7.191 -6.687 -55.920 1.00 0.00 H ATOM 941 N PHE A1890 5.116 -4.264 -56.768 1.00 14.76 N ATOM 942 CA PHE A1890 4.495 -3.177 -57.517 1.00 14.72 C ATOM 943 C PHE A1890 3.466 -3.711 -58.498 1.00 15.24 C ATOM 944 O PHE A1890 2.342 -3.242 -58.538 1.00 15.82 O ATOM 945 CB PHE A1890 5.582 -2.369 -58.261 1.00 14.72 C ATOM 946 CG PHE A1890 5.044 -1.230 -59.049 1.00 15.83 C ATOM 947 CD1 PHE A1890 4.629 -1.400 -60.360 1.00 16.77 C ATOM 948 CD2 PHE A1890 4.998 0.027 -58.496 1.00 16.22 C ATOM 949 CE1 PHE A1890 4.120 -0.320 -61.065 1.00 17.85 C ATOM 950 CE2 PHE A1890 4.506 1.107 -59.209 1.00 17.69 C ATOM 951 CZ PHE A1890 4.087 0.941 -60.494 1.00 17.68 C ATOM 952 H PHE A1890 6.149 -4.381 -56.795 1.00 0.00 H ATOM 953 N GLU A1891 3.826 -4.754 -59.260 1.00 15.93 N ATOM 954 CA GLU A1891 2.872 -5.313 -60.202 1.00 17.37 C ATOM 955 C GLU A1891 1.672 -5.911 -59.509 1.00 17.37 C ATOM 956 O GLU A1891 0.569 -5.816 -60.008 1.00 17.57 O ATOM 957 CB GLU A1891 3.547 -6.370 -61.051 1.00 19.83 C ATOM 958 CG GLU A1891 4.547 -5.733 -61.978 1.00 22.57 C ATOM 959 CD GLU A1891 5.047 -6.660 -63.050 1.00 28.55 C ATOM 960 OE1 GLU A1891 4.924 -7.891 -62.861 1.00 33.99 O ATOM 961 OE2 GLU A1891 5.562 -6.132 -64.067 1.00 29.77 O ATOM 962 H GLU A1891 4.780 -5.159 -59.177 1.00 0.00 H ATOM 963 N SER A1892 1.901 -6.533 -58.363 1.00 17.08 N ATOM 964 CA SER A1892 0.807 -7.132 -57.601 1.00 18.33 C ATOM 965 C SER A1892 -0.221 -6.105 -57.137 1.00 18.52 C ATOM 966 O SER A1892 -1.405 -6.416 -57.055 1.00 19.64 O ATOM 967 CB SER A1892 1.326 -7.944 -56.404 1.00 19.65 C ATOM 968 OG SER A1892 1.520 -7.125 -55.246 1.00 20.64 O ATOM 969 HG SER A1892 2.181 -6.417 -55.451 1.00 0.00 H ATOM 970 H SER A1892 2.873 -6.596 -58.000 1.00 0.00 H ATOM 971 N ARG A1893 0.216 -4.886 -56.830 1.00 18.38 N ATOM 972 CA ARG A1893 -0.706 -3.801 -56.484 1.00 19.24 C ATOM 973 C ARG A1893 -1.316 -3.125 -57.709 1.00 18.58 C ATOM 974 O ARG A1893 -2.463 -2.738 -57.691 1.00 19.96 O ATOM 975 CB ARG A1893 -0.020 -2.725 -55.639 1.00 20.81 C ATOM 976 CG ARG A1893 0.639 -3.217 -54.368 1.00 23.35 C ATOM 977 CD ARG A1893 -0.140 -4.294 -53.672 1.00 26.77 C ATOM 978 NE ARG A1893 -1.407 -3.793 -53.168 1.00 29.47 N ATOM 979 CZ ARG A1893 -2.501 -4.538 -52.994 1.00 37.20 C ATOM 980 NH1 ARG A1893 -2.527 -5.827 -53.342 1.00 40.23 N ATOM 981 NH2 ARG A1893 -3.596 -3.987 -52.482 1.00 38.08 N ATOM 982 HE ARG A1893 -1.466 -2.783 -52.926 1.00 0.00 H ATOM 983 HH12 ARG A1893 -3.391 -6.387 -53.197 1.00 0.00 H ATOM 984 HH11 ARG A1893 -1.683 -6.270 -53.758 1.00 0.00 H ATOM 985 HH22 ARG A1893 -4.452 -4.562 -52.344 1.00 0.00 H ATOM 986 HH21 ARG A1893 -3.598 -2.981 -52.219 1.00 0.00 H ATOM 987 H ARG A1893 1.239 -4.699 -56.836 1.00 0.00 H ATOM 988 N TRP A1894 -0.535 -2.937 -58.769 1.00 17.40 N ATOM 989 CA TRP A1894 -1.043 -2.276 -59.966 1.00 18.39 C ATOM 990 C TRP A1894 -2.241 -3.051 -60.493 1.00 19.62 C ATOM 991 O TRP A1894 -3.133 -2.477 -61.078 1.00 20.04 O ATOM 992 CB TRP A1894 0.039 -2.211 -61.048 1.00 18.59 C ATOM 993 CG TRP A1894 -0.253 -1.188 -62.066 1.00 20.48 C ATOM 994 CD1 TRP A1894 -0.889 -1.376 -63.273 1.00 22.00 C ATOM 995 CD2 TRP A1894 0.042 0.195 -61.973 1.00 21.95 C ATOM 996 NE1 TRP A1894 -0.987 -0.179 -63.925 1.00 22.23 N ATOM 997 CE2 TRP A1894 -0.416 0.800 -63.155 1.00 23.20 C ATOM 998 CE3 TRP A1894 0.674 0.984 -61.004 1.00 23.46 C ATOM 999 CZ2 TRP A1894 -0.260 2.185 -63.395 1.00 22.90 C ATOM 1000 CZ3 TRP A1894 0.790 2.350 -61.240 1.00 25.36 C ATOM 1001 CH2 TRP A1894 0.331 2.912 -62.423 1.00 22.71 C ATOM 1002 HE1 TRP A1894 -1.425 -0.034 -64.857 1.00 0.00 H ATOM 1003 H TRP A1894 0.451 -3.266 -58.744 1.00 0.00 H ATOM 1004 N GLU A1895 -2.224 -4.370 -60.304 1.00 19.51 N ATOM 1005 CA GLU A1895 -3.344 -5.255 -60.678 1.00 21.82 C ATOM 1006 C GLU A1895 -4.726 -4.754 -60.200 1.00 22.62 C ATOM 1007 O GLU A1895 -5.736 -5.001 -60.852 1.00 22.63 O ATOM 1008 CB GLU A1895 -3.059 -6.681 -60.171 1.00 24.20 C ATOM 1009 CG GLU A1895 -4.056 -7.733 -60.662 1.00 26.85 C ATOM 1010 CD GLU A1895 -5.314 -7.834 -59.832 1.00 31.14 C ATOM 1011 OE1 GLU A1895 -5.253 -7.538 -58.618 1.00 33.81 O ATOM 1012 OE2 GLU A1895 -6.375 -8.224 -60.387 1.00 34.71 O ATOM 1013 H GLU A1895 -1.380 -4.797 -59.872 1.00 0.00 H ATOM 1014 N GLU A1896 -4.782 -4.035 -59.073 1.00 21.24 N ATOM 1015 CA GLU A1896 -6.052 -3.541 -58.544 1.00 23.66 C ATOM 1016 C GLU A1896 -6.781 -2.602 -59.502 1.00 23.23 C ATOM 1017 O GLU A1896 -7.989 -2.425 -59.384 1.00 25.32 O ATOM 1018 CB GLU A1896 -5.840 -2.822 -57.218 1.00 25.99 C ATOM 1019 CG GLU A1896 -5.441 -3.730 -56.075 1.00 28.78 C ATOM 1020 CD GLU A1896 -5.471 -2.983 -54.743 1.00 35.39 C ATOM 1021 OE1 GLU A1896 -6.473 -2.295 -54.442 1.00 39.21 O ATOM 1022 OE2 GLU A1896 -4.486 -3.081 -53.993 1.00 41.29 O ATOM 1023 H GLU A1896 -3.902 -3.823 -58.562 1.00 0.00 H ATOM 1024 N PHE A1897 -6.052 -1.974 -60.424 1.00 21.43 N ATOM 1025 CA PHE A1897 -6.652 -1.117 -61.423 1.00 23.08 C ATOM 1026 C PHE A1897 -7.583 -1.927 -62.336 1.00 25.08 C ATOM 1027 O PHE A1897 -8.480 -1.362 -62.945 1.00 28.78 O ATOM 1028 CB PHE A1897 -5.570 -0.412 -62.271 1.00 22.79 C ATOM 1029 CG PHE A1897 -4.934 0.810 -61.609 1.00 22.11 C ATOM 1030 CD1 PHE A1897 -5.703 1.944 -61.283 1.00 23.13 C ATOM 1031 CD2 PHE A1897 -3.581 0.850 -61.343 1.00 20.78 C ATOM 1032 CE1 PHE A1897 -5.124 3.074 -60.686 1.00 23.37 C ATOM 1033 CE2 PHE A1897 -2.990 1.974 -60.764 1.00 22.33 C ATOM 1034 CZ PHE A1897 -3.761 3.095 -60.448 1.00 21.98 C ATOM 1035 H PHE A1897 -5.020 -2.104 -60.425 1.00 0.00 H ATOM 1036 N TYR A1898 -7.354 -3.236 -62.430 1.00 25.91 N ATOM 1037 CA TYR A1898 -8.041 -4.113 -63.398 1.00 28.09 C ATOM 1038 C TYR A1898 -9.032 -5.096 -62.732 1.00 33.70 C ATOM 1039 O TYR A1898 -9.657 -5.902 -63.424 1.00 35.22 O ATOM 1040 CB TYR A1898 -7.007 -4.852 -64.234 1.00 26.51 C ATOM 1041 CG TYR A1898 -5.967 -3.905 -64.817 1.00 24.06 C ATOM 1042 CD1 TYR A1898 -6.363 -2.798 -65.563 1.00 23.78 C ATOM 1043 CD2 TYR A1898 -4.602 -4.068 -64.559 1.00 23.03 C ATOM 1044 CE1 TYR A1898 -5.435 -1.894 -66.069 1.00 23.08 C ATOM 1045 CE2 TYR A1898 -3.669 -3.177 -65.067 1.00 21.61 C ATOM 1046 CZ TYR A1898 -4.090 -2.071 -65.784 1.00 21.88 C ATOM 1047 OH TYR A1898 -3.172 -1.158 -66.280 1.00 22.60 O ATOM 1048 HH TYR A1898 -3.651 -0.438 -66.762 1.00 0.00 H ATOM 1049 H TYR A1898 -6.655 -3.662 -61.788 1.00 0.00 H ATOM 1050 N GLN A1899 -9.170 -5.038 -61.414 1.00 39.36 N ATOM 1051 CA GLN A1899 -10.193 -5.831 -60.722 1.00 44.26 C ATOM 1052 C GLN A1899 -11.569 -5.207 -60.920 1.00 48.80 C ATOM 1053 O GLN A1899 -12.158 -5.316 -61.996 1.00 54.75 O ATOM 1054 CB GLN A1899 -9.898 -5.923 -59.226 1.00 45.61 C ATOM 1055 CG GLN A1899 -8.627 -6.676 -58.873 1.00 47.27 C ATOM 1056 CD GLN A1899 -8.351 -6.671 -57.374 1.00 51.38 C ATOM 1057 OE1 GLN A1899 -9.230 -6.345 -56.565 1.00 54.74 O ATOM 1058 NE2 GLN A1899 -7.130 -7.018 -56.994 1.00 51.32 N ATOM 1059 HE22 GLN A1899 -6.420 -7.285 -57.706 1.00 0.00 H ATOM 1060 HE21 GLN A1899 -6.881 -7.023 -55.984 1.00 0.00 H ATOM 1061 H GLN A1899 -8.542 -4.420 -60.861 1.00 0.00 H TER 1062 GLN A1899 HETATM 1063 O HOH 1 19.919 1.487 -59.713 1.00 14.78 O HETATM 1064 O HOH 2 17.231 1.815 -58.854 1.00 17.71 O HETATM 1065 O HOH 3 21.252 2.305 -53.127 1.00 19.92 O HETATM 1066 O HOH 4 19.403 7.454 -57.861 1.00 19.90 O HETATM 1067 O HOH 5 10.449 12.529 -62.122 1.00 30.56 O HETATM 1068 O HOH 6 18.879 5.071 -66.626 1.00 19.73 O HETATM 1069 O HOH 7 18.158 4.717 -54.914 1.00 18.14 O HETATM 1070 O HOH 8 21.763 9.171 -58.288 1.00 21.75 O HETATM 1071 O HOH 9 -0.312 14.289 -56.571 1.00 23.54 O HETATM 1072 O HOH 10 17.348 9.304 -58.053 1.00 19.93 O HETATM 1073 O HOH 11 24.026 5.798 -51.919 1.00 26.70 O HETATM 1074 O HOH 12 18.463 5.270 -59.726 1.00 19.67 O HETATM 1075 O HOH 13 1.064 14.311 -58.871 1.00 21.64 O HETATM 1076 O HOH 14 33.049 14.734 -47.960 1.00 26.29 O HETATM 1077 O HOH 15 17.089 3.982 -57.142 1.00 18.36 O HETATM 1078 O HOH 16 10.881 15.165 -57.488 1.00 27.86 O HETATM 1079 O HOH 17 3.295 10.435 -49.814 1.00 28.05 O HETATM 1080 O HOH 18 7.510 10.061 -65.399 1.00 25.45 O HETATM 1081 O HOH 19 15.928 10.640 -64.194 1.00 24.71 O HETATM 1082 O HOH 20 1.439 19.998 -51.594 1.00 20.65 O HETATM 1083 O HOH 21 30.024 7.391 -61.117 1.00 25.24 O HETATM 1084 O HOH 22 28.844 0.817 -51.997 1.00 34.07 O HETATM 1085 O HOH 23 18.814 6.024 -47.686 1.00 36.39 O HETATM 1086 O HOH 24 14.967 13.231 -53.409 1.00 39.86 O HETATM 1087 O HOH 25 9.653 19.784 -53.220 1.00 29.04 O HETATM 1088 O HOH 26 17.685 12.206 -65.695 1.00 36.14 O HETATM 1089 O HOH 27 15.041 2.483 -68.457 1.00 24.02 O HETATM 1090 O HOH 28 17.161 1.750 -66.886 1.00 22.16 O HETATM 1091 O HOH 29 17.023 5.443 -68.947 1.00 30.13 O HETATM 1092 O HOH 30 11.852 7.848 -49.366 1.00 29.38 O HETATM 1093 O HOH 31 16.367 12.036 -60.827 1.00 37.28 O HETATM 1094 O HOH 32 18.895 2.783 -46.950 1.00 37.06 O HETATM 1095 O HOH 33 17.883 11.904 -58.578 1.00 33.45 O HETATM 1096 O HOH 34 34.164 8.243 -52.146 1.00 28.44 O HETATM 1097 O HOH 35 1.572 13.317 -51.878 1.00 29.08 O HETATM 1098 O HOH 36 11.264 11.290 -64.324 1.00 38.53 O HETATM 1099 O HOH 37 -2.840 8.570 -50.907 1.00 25.34 O HETATM 1100 O HOH 38 0.053 10.215 -69.058 1.00 36.33 O HETATM 1101 O HOH 39 24.641 9.623 -65.768 1.00 41.71 O HETATM 1102 O HOH 40 23.287 8.519 -62.567 1.00 40.56 O HETATM 1103 O HOH 41 21.638 4.063 -68.144 1.00 34.77 O HETATM 1104 O HOH 42 20.557 11.708 -58.512 1.00 27.89 O HETATM 1105 O HOH 43 -4.277 10.463 -49.582 1.00 20.98 O HETATM 1106 O HOH 44 35.901 14.267 -52.782 1.00 37.12 O HETATM 1107 O HOH 45 33.884 16.952 -49.545 1.00 29.25 O HETATM 1108 O HOH 46 13.656 10.672 -65.714 1.00 36.17 O HETATM 1109 O HOH 47 23.580 9.441 -59.987 1.00 30.03 O HETATM 1110 O HOH 48 33.714 19.238 -48.218 1.00 25.41 O HETATM 1111 O HOH 49 23.365 -4.634 -67.361 1.00 17.51 O HETATM 1112 O HOH 50 25.756 -5.990 -68.098 1.00 18.10 O HETATM 1113 O HOH 51 28.966 -9.342 -64.028 1.00 16.11 O HETATM 1114 O HOH 52 24.107 -11.320 -62.263 1.00 27.78 O HETATM 1115 O HOH 53 24.061 -12.830 -59.925 1.00 33.67 O HETATM 1116 O HOH 54 19.771 -7.324 -60.842 1.00 18.24 O HETATM 1117 O HOH 55 17.464 -6.054 -59.738 1.00 17.81 O HETATM 1118 O HOH 56 15.184 -4.636 -60.422 1.00 18.08 O HETATM 1119 O HOH 57 12.969 -6.070 -60.915 1.00 31.97 O HETATM 1120 O HOH 58 25.125 -4.473 -55.657 1.00 18.83 O HETATM 1121 O HOH 59 24.028 -5.492 -53.207 1.00 20.33 O HETATM 1122 O HOH 60 25.426 -8.085 -51.999 1.00 25.24 O HETATM 1123 O HOH 61 26.744 -10.702 -56.139 1.00 38.05 O HETATM 1124 O HOH 62 30.459 -0.069 -58.052 1.00 23.78 O HETATM 1125 O HOH 63 10.753 -7.041 -48.208 1.00 15.98 O HETATM 1126 O HOH 64 -6.410 -8.895 -63.367 1.00 22.50 O HETATM 1127 O HOH 65 -4.343 8.443 -64.403 1.00 25.12 O HETATM 1128 O HOH 66 7.618 -9.051 -53.875 1.00 26.33 O HETATM 1129 O HOH 67 -7.962 5.811 -55.062 1.00 27.23 O HETATM 1130 O HOH 68 -2.897 6.999 -66.591 1.00 25.38 O HETATM 1131 O HOH 69 3.527 -9.681 -59.114 1.00 25.97 O HETATM 1132 O HOH 70 -9.232 14.516 -60.966 1.00 33.93 O HETATM 1133 O HOH 71 30.305 -10.782 -59.733 1.00 33.10 O HETATM 1134 O HOH 72 31.423 -12.471 -61.504 1.00 31.25 O HETATM 1135 O HOH 73 29.689 -0.038 -67.939 1.00 36.51 O HETATM 1136 O HOH 74 -4.402 0.853 -67.831 1.00 29.54 O HETATM 1137 O HOH 75 -6.702 4.087 -53.241 1.00 29.43 O HETATM 1138 O HOH 76 -8.725 5.267 -59.469 1.00 33.40 O HETATM 1139 O HOH 77 3.812 7.794 -50.544 1.00 28.90 O HETATM 1140 O HOH 78 12.612 2.468 -67.389 1.00 29.77 O HETATM 1141 O HOH 79 11.014 7.256 -67.990 1.00 30.39 O HETATM 1142 O HOH 80 10.568 -9.181 -60.161 1.00 28.54 O HETATM 1143 O HOH 81 8.167 -8.977 -61.553 1.00 34.61 O HETATM 1144 O HOH 82 4.815 -9.501 -54.334 1.00 28.47 O HETATM 1145 O HOH 83 5.072 -8.274 -50.037 1.00 30.07 O HETATM 1146 O HOH 84 -5.155 11.001 -65.535 1.00 38.76 O HETATM 1147 O HOH 85 -1.088 12.288 -54.270 1.00 33.47 O HETATM 1148 O HOH 86 17.287 -6.661 -48.584 1.00 31.89 O HETATM 1149 O HOH 87 17.259 -8.193 -50.819 1.00 27.92 O HETATM 1150 O HOH 88 16.411 -10.655 -50.459 1.00 37.58 O HETATM 1151 O HOH 89 14.872 -12.389 -52.494 1.00 37.25 O HETATM 1152 O HOH 90 15.682 -12.483 -57.178 1.00 36.33 O HETATM 1153 O HOH 91 14.338 -11.340 -55.076 1.00 33.47 O HETATM 1154 O HOH 92 18.539 -11.687 -49.292 1.00 47.28 O HETATM 1155 O HOH 93 20.504 5.541 -51.751 1.00 33.58 O HETATM 1156 O HOH 94 18.416 4.732 -50.248 1.00 25.54 O HETATM 1157 O HOH 95 24.039 7.767 -49.891 1.00 35.53 O HETATM 1158 O HOH 96 11.945 6.999 -46.642 1.00 38.00 O HETATM 1159 O HOH 97 31.496 6.912 -58.717 1.00 35.08 O HETATM 1160 O HOH 98 14.080 7.113 -69.146 1.00 40.02 O HETATM 1161 O HOH 99 11.123 14.343 -60.266 1.00 40.91 O HETATM 1162 O HOH 100 3.769 17.480 -64.838 1.00 38.66 O HETATM 1163 O HOH 101 -1.653 16.248 -60.634 1.00 39.58 O HETATM 1164 O HOH 102 6.515 9.546 -68.564 1.00 32.55 O HETATM 1165 O HOH 103 7.859 -4.535 -65.139 1.00 39.96 O HETATM 1166 O HOH 104 27.742 -12.449 -62.602 1.00 36.54 O HETATM 1167 O HOH 105 9.145 -11.596 -54.130 1.00 37.40 O HETATM 1168 O HOH 106 21.250 -6.583 -67.316 1.00 34.55 O HETATM 1169 O HOH 107 19.599 -8.059 -66.789 1.00 31.69 O HETATM 1170 O HOH 108 21.077 -10.732 -65.333 1.00 41.06 O HETATM 1171 O HOH 109 26.174 -6.230 -57.711 1.00 21.08 O HETATM 1172 O HOH 110 26.853 -12.216 -65.149 1.00 23.19 O HETATM 1173 O HOH 111 25.458 -8.805 -67.505 1.00 19.11 O HETATM 1174 O HOH 112 26.391 -9.560 -65.027 1.00 18.84 O HETATM 1175 O HOH 113 27.823 -7.777 -56.222 1.00 26.51 O HETATM 1176 O HOH 114 24.796 -4.379 -50.747 1.00 36.22 O HETATM 1177 O HOH 115 32.947 -1.339 -58.283 1.00 35.60 O HETATM 1178 O HOH 116 30.579 0.390 -55.195 1.00 32.56 O HETATM 1179 O HOH 117 32.105 -4.032 -59.088 1.00 41.49 O HETATM 1180 O HOH 118 31.925 -4.970 -48.875 1.00 43.74 O HETATM 1181 N GLY A 119 27.929 -7.191 -47.826 1.00 0.24 N HETATM 1182 CA GLY A 119 28.988 -6.606 -48.700 1.00 0.05 C HETATM 1183 C GLY A 119 28.441 -5.443 -49.493 1.00 0.22 C HETATM 1184 O GLY A 119 27.243 -5.387 -49.771 1.00 -0.39 O HETATM 1185 N GLY A 119 29.325 -4.524 -49.869 1.00 -0.26 N HETATM 1186 CA GLY A 119 28.926 -3.252 -50.443 1.00 0.13 C HETATM 1187 C GLY A 119 28.238 -3.381 -51.815 1.00 0.20 C HETATM 1188 O GLY A 119 28.496 -4.290 -52.606 1.00 -0.39 O HETATM 1189 N GLY A 119 27.316 -2.471 -52.045 1.00 -0.26 N HETATM 1190 CA GLY A 119 26.657 -2.343 -53.333 1.00 0.13 C HETATM 1191 CB GLY A 119 25.650 -1.203 -53.216 1.00 -0.01 C HETATM 1192 CG GLY A 119 24.877 -1.038 -54.521 1.00 -0.05 C HETATM 1193 CD GLY A 119 23.787 0.015 -54.407 1.00 -0.03 C HETATM 1194 CE GLY A 119 23.186 0.326 -55.787 1.00 0.03 C HETATM 1195 NZ GLY A 119 21.872 0.931 -55.613 1.00 -0.29 N HETATM 1196 CH GLY A 119 20.954 0.877 -56.572 1.00 0.17 C HETATM 1197 OH GLY A 119 21.197 0.324 -57.651 1.00 -0.40 O HETATM 1198 CH3 GLY A 119 19.672 1.530 -56.201 1.00 0.03 C HETATM 1199 H11 GLY A 119 19.748 1.935 -55.181 1.00 0.05 H HETATM 1200 H12 GLY A 119 18.858 0.791 -56.242 1.00 0.05 H HETATM 1201 H13 GLY A 119 19.460 2.348 -56.905 1.00 0.05 H HETATM 1202 H14 GLY A 119 21.657 1.396 -54.754 1.00 0.18 H HETATM 1203 H15 GLY A 119 23.844 1.024 -56.326 1.00 0.05 H HETATM 1204 H16 GLY A 119 23.088 -0.605 -56.364 1.00 0.05 H HETATM 1205 H17 GLY A 119 22.993 -0.357 -53.743 1.00 0.03 H HETATM 1206 H18 GLY A 119 24.217 0.935 -53.984 1.00 0.03 H HETATM 1207 H19 GLY A 119 25.578 -0.739 -55.314 1.00 0.03 H HETATM 1208 H20 GLY A 119 24.415 -2.001 -54.784 1.00 0.03 H HETATM 1209 H21 GLY A 119 24.944 -1.426 -52.403 1.00 0.03 H HETATM 1210 H22 GLY A 119 26.185 -0.269 -52.992 1.00 0.03 H HETATM 1211 C GLY A 119 27.723 -2.011 -54.333 1.00 0.20 C HETATM 1212 O GLY A 119 28.567 -1.134 -54.100 1.00 -0.39 O HETATM 1213 N GLY A 119 27.715 -2.721 -55.467 1.00 -0.26 N HETATM 1214 CA GLY A 119 28.676 -2.437 -56.518 1.00 0.13 C HETATM 1215 C GLY A 119 28.133 -2.871 -57.865 1.00 0.20 C HETATM 1216 O GLY A 119 27.223 -3.696 -57.924 1.00 -0.39 O HETATM 1217 N GLY A 119 28.675 -2.285 -58.917 1.00 -0.26 N HETATM 1218 CA GLY A 119 28.255 -2.632 -60.272 1.00 0.14 C HETATM 1219 C GLY A 119 28.576 -4.081 -60.613 1.00 0.21 C HETATM 1220 O GLY A 119 29.533 -4.666 -60.107 1.00 -0.39 O HETATM 1221 N GLY A 119 27.738 -4.658 -61.481 1.00 -0.26 N HETATM 1222 CA GLY A 119 28.074 -5.948 -62.104 1.00 0.13 C HETATM 1223 C GLY A 119 29.550 -5.925 -62.546 1.00 0.20 C HETATM 1224 O GLY A 119 30.046 -4.928 -63.140 1.00 -0.39 O HETATM 1225 N GLY A 119 30.249 -7.044 -62.345 1.00 -0.26 N HETATM 1226 CA GLY A 119 31.659 -7.101 -62.723 1.00 0.13 C HETATM 1227 CB GLY A 119 32.208 -8.487 -62.366 1.00 -0.01 C HETATM 1228 CG GLY A 119 33.702 -8.583 -62.632 1.00 -0.05 C HETATM 1229 CD GLY A 119 34.218 -9.940 -62.182 1.00 -0.03 C HETATM 1230 CE GLY A 119 35.735 -9.957 -62.318 1.00 0.03 C HETATM 1231 NZ GLY A 119 36.282 -11.280 -62.015 1.00 -0.29 N HETATM 1232 CH GLY A 119 37.586 -11.563 -62.233 1.00 0.17 C HETATM 1233 OH GLY A 119 38.396 -10.771 -62.710 1.00 -0.40 O HETATM 1234 CH3 GLY A 119 37.963 -12.961 -61.871 1.00 0.03 C HETATM 1235 H58 GLY A 119 37.085 -13.484 -61.465 1.00 0.05 H HETATM 1236 H59 GLY A 119 38.761 -12.941 -61.114 1.00 0.05 H HETATM 1237 H60 GLY A 119 38.321 -13.488 -62.768 1.00 0.05 H HETATM 1238 H61 GLY A 119 35.681 -11.986 -61.641 1.00 0.18 H HETATM 1239 H62 GLY A 119 36.005 -9.685 -63.349 1.00 0.05 H HETATM 1240 H63 GLY A 119 36.165 -9.223 -61.621 1.00 0.05 H HETATM 1241 H64 GLY A 119 33.939 -10.112 -61.132 1.00 0.03 H HETATM 1242 H65 GLY A 119 33.781 -10.729 -62.812 1.00 0.03 H HETATM 1243 H66 GLY A 119 33.890 -8.459 -63.709 1.00 0.03 H HETATM 1244 H67 GLY A 119 34.224 -7.791 -62.075 1.00 0.03 H HETATM 1245 H68 GLY A 119 32.022 -8.681 -61.299 1.00 0.03 H HETATM 1246 H69 GLY A 119 31.688 -9.244 -62.972 1.00 0.03 H HETATM 1247 C GLY A 119 31.914 -6.766 -64.174 1.00 0.20 C HETATM 1248 O GLY A 119 32.870 -6.063 -64.504 1.00 -0.39 O HETATM 1249 N GLY A 119 31.052 -7.253 -65.084 1.00 -0.26 N HETATM 1250 CA GLY A 119 31.210 -6.975 -66.506 1.00 0.13 C HETATM 1251 C GLY A 119 31.078 -5.481 -66.885 1.00 0.20 C HETATM 1252 O GLY A 119 31.440 -5.095 -68.010 1.00 -0.39 O HETATM 1253 N GLY A 119 30.559 -4.633 -65.978 1.00 -0.27 N HETATM 1254 CA GLY A 119 30.410 -3.222 -66.273 1.00 0.09 C HETATM 1255 C GLY A 119 31.610 -2.425 -65.761 1.00 0.06 C HETATM 1256 O GLY A 119 32.551 -3.005 -65.213 1.00 -0.57 O HETATM 1257 OXT GLY A 119 31.611 -1.190 -65.878 1.00 -0.57 O HETATM 1258 CB GLY A 119 29.121 -2.675 -65.662 1.00 -0.02 C HETATM 1259 CG GLY A 119 27.875 -3.331 -66.247 1.00 -0.04 C HETATM 1260 CD1 GLY A 119 26.646 -2.747 -65.559 1.00 -0.06 C HETATM 1261 H86 GLY A 119 25.739 -3.212 -65.972 1.00 0.02 H HETATM 1262 H87 GLY A 119 26.611 -1.661 -65.730 1.00 0.02 H HETATM 1263 H88 GLY A 119 26.701 -2.947 -64.479 1.00 0.02 H HETATM 1264 CD2 GLY A 119 27.803 -3.185 -67.748 1.00 -0.06 C HETATM 1265 H89 GLY A 119 28.706 -3.618 -68.202 1.00 0.02 H HETATM 1266 H90 GLY A 119 27.736 -2.119 -68.010 1.00 0.02 H HETATM 1267 H91 GLY A 119 26.914 -3.712 -68.126 1.00 0.02 H HETATM 1268 H85 GLY A 119 27.916 -4.407 -66.021 1.00 0.03 H HETATM 1269 H83 GLY A 119 29.072 -1.593 -65.852 1.00 0.03 H HETATM 1270 H84 GLY A 119 29.140 -2.857 -64.577 1.00 0.03 H HETATM 1271 H82 GLY A 119 30.355 -3.103 -67.365 1.00 0.07 H HETATM 1272 H81 GLY A 119 30.271 -4.982 -65.086 1.00 0.19 H HETATM 1273 CB GLY A 119 30.238 -7.826 -67.361 1.00 -0.01 C HETATM 1274 CG1 GLY A 119 30.486 -9.312 -67.132 1.00 -0.06 C HETATM 1275 H75 GLY A 119 29.788 -9.899 -67.746 1.00 0.02 H HETATM 1276 H76 GLY A 119 30.329 -9.550 -66.070 1.00 0.02 H HETATM 1277 H77 GLY A 119 31.520 -9.559 -67.415 1.00 0.02 H HETATM 1278 CG2 GLY A 119 28.788 -7.498 -67.009 1.00 -0.06 C HETATM 1279 H78 GLY A 119 28.604 -6.426 -67.173 1.00 0.02 H HETATM 1280 H79 GLY A 119 28.602 -7.745 -65.953 1.00 0.02 H HETATM 1281 H80 GLY A 119 28.113 -8.087 -67.647 1.00 0.02 H HETATM 1282 H74 GLY A 119 30.409 -7.595 -68.423 1.00 0.03 H HETATM 1283 H73 GLY A 119 32.233 -7.280 -66.771 1.00 0.08 H HETATM 1284 H72 GLY A 119 30.286 -7.818 -64.778 1.00 0.19 H HETATM 1285 H70 GLY A 119 32.196 -6.355 -62.119 1.00 0.08 H HETATM 1286 H71 GLY A 119 29.808 -7.843 -61.936 1.00 0.19 H HETATM 1287 CB GLY A 119 27.198 -6.142 -63.350 1.00 -0.01 C HETATM 1288 CG GLY A 119 25.744 -6.459 -63.085 1.00 -0.02 C HETATM 1289 CD GLY A 119 24.945 -6.360 -64.373 1.00 0.06 C HETATM 1290 NE GLY A 119 23.521 -6.584 -64.154 1.00 -0.27 N HETATM 1291 CZ GLY A 119 22.964 -7.775 -64.006 1.00 0.29 C HETATM 1292 NH1 GLY A 119 23.730 -8.861 -64.006 1.00 -0.28 N HETATM 1293 H54 GLY A 119 23.304 -9.792 -63.891 1.00 0.26 H HETATM 1294 H55 GLY A 119 24.750 -8.772 -64.121 1.00 0.26 H HETATM 1295 NH2 GLY A 119 21.673 -7.893 -63.806 1.00 -0.28 N HETATM 1296 H56 GLY A 119 21.073 -7.056 -63.805 1.00 0.26 H HETATM 1297 H57 GLY A 119 21.259 -8.823 -63.650 1.00 0.26 H HETATM 1298 H53 GLY A 119 22.907 -5.758 -64.112 1.00 0.26 H HETATM 1299 H51 GLY A 119 25.318 -7.115 -65.081 1.00 0.07 H HETATM 1300 H52 GLY A 119 25.084 -5.356 -64.801 1.00 0.07 H HETATM 1301 H49 GLY A 119 25.343 -5.743 -62.352 1.00 0.03 H HETATM 1302 H50 GLY A 119 25.662 -7.480 -62.683 1.00 0.03 H HETATM 1303 H47 GLY A 119 27.623 -6.970 -63.937 1.00 0.03 H HETATM 1304 H48 GLY A 119 27.240 -5.215 -63.940 1.00 0.03 H HETATM 1305 H46 GLY A 119 27.905 -6.767 -61.390 1.00 0.08 H HETATM 1306 H45 GLY A 119 26.874 -4.208 -61.709 1.00 0.19 H HETATM 1307 CB GLY A 119 28.827 -1.687 -61.345 1.00 0.01 C HETATM 1308 CG GLY A 119 30.324 -1.614 -61.415 1.00 -0.00 C HETATM 1309 ND1 GLY A 119 31.117 -2.642 -61.902 1.00 -0.33 N HETATM 1310 CE1 GLY A 119 32.384 -2.260 -61.899 1.00 0.09 C HETATM 1311 NE2 GLY A 119 32.445 -1.025 -61.420 1.00 -0.28 N HETATM 1312 CD2 GLY A 119 31.171 -0.595 -61.133 1.00 0.03 C HETATM 1313 H42 GLY A 119 30.893 0.386 -60.749 1.00 0.07 H HETATM 1314 H44 GLY A 119 33.307 -0.477 -61.285 1.00 0.24 H HETATM 1315 H43 GLY A 119 33.231 -2.857 -62.233 1.00 0.12 H HETATM 1316 H40 GLY A 119 28.448 -0.675 -61.141 1.00 0.04 H HETATM 1317 H41 GLY A 119 28.459 -2.026 -62.325 1.00 0.04 H HETATM 1318 H39 GLY A 119 27.161 -2.525 -60.301 1.00 0.08 H HETATM 1319 H38 GLY A 119 29.384 -1.593 -58.784 1.00 0.19 H HETATM 1320 CB GLY A 119 29.994 -3.163 -56.237 1.00 -0.01 C HETATM 1321 CG GLY A 119 29.843 -4.648 -56.105 1.00 -0.02 C HETATM 1322 CD GLY A 119 31.166 -5.304 -55.716 1.00 0.06 C HETATM 1323 NE GLY A 119 31.016 -6.756 -55.586 1.00 -0.27 N HETATM 1324 CZ GLY A 119 32.015 -7.611 -55.365 1.00 0.29 C HETATM 1325 NH1 GLY A 119 33.272 -7.179 -55.235 1.00 -0.28 N HETATM 1326 H34 GLY A 119 34.033 -7.852 -55.065 1.00 0.26 H HETATM 1327 H35 GLY A 119 33.481 -6.173 -55.305 1.00 0.26 H HETATM 1328 NH2 GLY A 119 31.755 -8.914 -55.272 1.00 -0.28 N HETATM 1329 H36 GLY A 119 30.788 -9.255 -55.371 1.00 0.26 H HETATM 1330 H37 GLY A 119 32.521 -9.581 -55.101 1.00 0.26 H HETATM 1331 H33 GLY A 119 30.067 -7.146 -55.672 1.00 0.26 H HETATM 1332 H31 GLY A 119 31.503 -4.890 -54.754 1.00 0.07 H HETATM 1333 H32 GLY A 119 31.916 -5.088 -56.491 1.00 0.07 H HETATM 1334 H29 GLY A 119 29.506 -5.062 -57.067 1.00 0.03 H HETATM 1335 H30 GLY A 119 29.093 -4.865 -55.330 1.00 0.03 H HETATM 1336 H27 GLY A 119 30.414 -2.771 -55.299 1.00 0.03 H HETATM 1337 H28 GLY A 119 30.689 -2.956 -57.064 1.00 0.03 H HETATM 1338 H26 GLY A 119 28.864 -1.353 -56.542 1.00 0.08 H HETATM 1339 H25 GLY A 119 27.043 -3.451 -55.592 1.00 0.19 H HETATM 1340 H23 GLY A 119 26.146 -3.277 -53.612 1.00 0.08 H HETATM 1341 H24 GLY A 119 27.060 -1.846 -51.308 1.00 0.19 H HETATM 1342 CB GLY A 119 30.116 -2.322 -50.551 1.00 -0.02 C HETATM 1343 H8 GLY A 119 29.795 -1.365 -50.987 1.00 0.03 H HETATM 1344 H9 GLY A 119 30.882 -2.780 -51.194 1.00 0.03 H HETATM 1345 H10 GLY A 119 30.536 -2.146 -49.550 1.00 0.03 H HETATM 1346 H7 GLY A 119 28.200 -2.796 -49.753 1.00 0.08 H HETATM 1347 H6 GLY A 119 30.299 -4.716 -49.752 1.00 0.19 H HETATM 1348 H4 GLY A 119 29.351 -7.378 -49.394 1.00 0.11 H HETATM 1349 H5 GLY A 119 29.821 -6.256 -48.073 1.00 0.11 H HETATM 1350 H1 GLY A 119 28.312 -7.965 -47.306 1.00 0.20 H HETATM 1351 H2 GLY A 119 27.164 -7.516 -48.397 1.00 0.20 H HETATM 1352 H3 GLY A 119 27.595 -6.488 -47.186 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1181 1182 1350 1351 1352 CONECT 1182 1181 1183 1348 1349 CONECT 1183 1182 1184 1185 CONECT 1184 1183 CONECT 1185 1183 1186 1347 CONECT 1186 1185 1187 1342 1346 CONECT 1187 1186 1188 1189 CONECT 1188 1187 CONECT 1189 1187 1190 1341 CONECT 1190 1189 1191 1211 1340 CONECT 1191 1190 1192 1209 1210 CONECT 1192 1191 1193 1207 1208 CONECT 1193 1192 1194 1205 1206 CONECT 1194 1193 1195 1203 1204 CONECT 1195 1194 1196 1202 CONECT 1196 1195 1197 1198 CONECT 1197 1196 CONECT 1198 1196 1199 1200 1201 CONECT 1199 1198 CONECT 1200 1198 CONECT 1201 1198 CONECT 1202 1195 CONECT 1203 1194 CONECT 1204 1194 CONECT 1205 1193 CONECT 1206 1193 CONECT 1207 1192 CONECT 1208 1192 CONECT 1209 1191 CONECT 1210 1191 CONECT 1211 1190 1212 1213 CONECT 1212 1211 CONECT 1213 1211 1214 1339 CONECT 1214 1213 1215 1320 1338 CONECT 1215 1214 1216 1217 CONECT 1216 1215 CONECT 1217 1215 1218 1319 CONECT 1218 1217 1219 1307 1318 CONECT 1219 1218 1220 1221 CONECT 1220 1219 CONECT 1221 1219 1222 1306 CONECT 1222 1221 1223 1287 1305 CONECT 1223 1222 1224 1225 CONECT 1224 1223 CONECT 1225 1223 1226 1286 CONECT 1226 1225 1227 1247 1285 CONECT 1227 1226 1228 1245 1246 CONECT 1228 1227 1229 1243 1244 CONECT 1229 1228 1230 1241 1242 CONECT 1230 1229 1231 1239 1240 CONECT 1231 1230 1232 1238 CONECT 1232 1231 1233 1234 CONECT 1233 1232 CONECT 1234 1232 1235 1236 1237 CONECT 1235 1234 CONECT 1236 1234 CONECT 1237 1234 CONECT 1238 1231 CONECT 1239 1230 CONECT 1240 1230 CONECT 1241 1229 CONECT 1242 1229 CONECT 1243 1228 CONECT 1244 1228 CONECT 1245 1227 CONECT 1246 1227 CONECT 1247 1226 1248 1249 CONECT 1248 1247 CONECT 1249 1247 1250 1284 CONECT 1250 1249 1251 1273 1283 CONECT 1251 1250 1252 1253 CONECT 1252 1251 CONECT 1253 1251 1254 1272 CONECT 1254 1253 1255 1258 1271 CONECT 1255 1254 1256 1257 CONECT 1256 1255 CONECT 1257 1255 CONECT 1258 1254 1259 1269 1270 CONECT 1259 1258 1260 1264 1268 CONECT 1260 1259 1261 1262 1263 CONECT 1261 1260 CONECT 1262 1260 CONECT 1263 1260 CONECT 1264 1259 1265 1266 1267 CONECT 1265 1264 CONECT 1266 1264 CONECT 1267 1264 CONECT 1268 1259 CONECT 1269 1258 CONECT 1270 1258 CONECT 1271 1254 CONECT 1272 1253 CONECT 1273 1250 1274 1278 1282 CONECT 1274 1273 1275 1276 1277 CONECT 1275 1274 CONECT 1276 1274 CONECT 1277 1274 CONECT 1278 1273 1279 1280 1281 CONECT 1279 1278 CONECT 1280 1278 CONECT 1281 1278 CONECT 1282 1273 CONECT 1283 1250 CONECT 1284 1249 CONECT 1285 1226 CONECT 1286 1225 CONECT 1287 1222 1288 1303 1304 CONECT 1288 1287 1289 1301 1302 CONECT 1289 1288 1290 1299 1300 CONECT 1290 1289 1291 1298 CONECT 1291 1290 1292 1295 CONECT 1292 1291 1293 1294 CONECT 1293 1292 CONECT 1294 1292 CONECT 1295 1291 1296 1297 CONECT 1296 1295 CONECT 1297 1295 CONECT 1298 1290 CONECT 1299 1289 CONECT 1300 1289 CONECT 1301 1288 CONECT 1302 1288 CONECT 1303 1287 CONECT 1304 1287 CONECT 1305 1222 CONECT 1306 1221 CONECT 1307 1218 1308 1316 1317 CONECT 1308 1307 1309 1312 CONECT 1309 1308 1310 CONECT 1310 1309 1311 1315 CONECT 1311 1310 1312 1314 CONECT 1312 1308 1311 1313 CONECT 1313 1312 CONECT 1314 1311 CONECT 1315 1310 CONECT 1316 1307 CONECT 1317 1307 CONECT 1318 1218 CONECT 1319 1217 CONECT 1320 1214 1321 1336 1337 CONECT 1321 1320 1322 1334 1335 CONECT 1322 1321 1323 1332 1333 CONECT 1323 1322 1324 1331 CONECT 1324 1323 1325 1328 CONECT 1325 1324 1326 1327 CONECT 1326 1325 CONECT 1327 1325 CONECT 1328 1324 1329 1330 CONECT 1329 1328 CONECT 1330 1328 CONECT 1331 1323 CONECT 1332 1322 CONECT 1333 1322 CONECT 1334 1321 CONECT 1335 1321 CONECT 1336 1320 CONECT 1337 1320 CONECT 1338 1214 CONECT 1339 1213 CONECT 1340 1190 CONECT 1341 1189 CONECT 1342 1186 1343 1344 1345 CONECT 1343 1342 CONECT 1344 1342 CONECT 1345 1342 CONECT 1346 1186 CONECT 1347 1185 CONECT 1348 1182 CONECT 1349 1182 CONECT 1350 1181 CONECT 1351 1181 CONECT 1352 1181 MASTER 0 0 0 0 0 0 0 0 1351 1 176 9 END
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Related entries of code: 4qbm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5mgj
RCSB PDB
PDBbind
105aa, >5MGJ_1|Chain... at 100%
5mgk
RCSB PDB
PDBbind
105aa, >5MGK_1|Chain... at 100%
5mgl
RCSB PDB
PDBbind
105aa, >5MGL_1|Chain... at 100%
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RCSB PDB
PDBbind
105aa, >5MGM_1|Chain... at 100%
6fg6
RCSB PDB
PDBbind
105aa, >6FG6_1|Chain... at 100%
6fgf
RCSB PDB
PDBbind
105aa, >6FGF_1|Chain... at 100%
6fgg
RCSB PDB
PDBbind
106aa, >6FGG_1|Chain... at 100%
6fgl
RCSB PDB
PDBbind
105aa, >6FGL_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1bmb
RCSB PDB
PDBbind
9-mer
1f90
RCSB PDB
PDBbind
9-mer
1fzk
RCSB PDB
PDBbind
9-mer
1fzo
RCSB PDB
PDBbind
9-mer
1g3f
RCSB PDB
PDBbind
9-mer
1g7p
RCSB PDB
PDBbind
9-mer
1gux
RCSB PDB
PDBbind
9-mer
1gwq
RCSB PDB
PDBbind
9-mer
1h24
RCSB PDB
PDBbind
9-mer
1inq
RCSB PDB
PDBbind
9-mer
1jp5
RCSB PDB
PDBbind
9-mer
1juf
RCSB PDB
PDBbind
9-mer
1kl3
RCSB PDB
PDBbind
9-mer
1kl5
RCSB PDB
PDBbind
9-mer
1lb6
RCSB PDB
PDBbind
9-mer
1mfg
RCSB PDB
PDBbind
9-mer
1mpa
RCSB PDB
PDBbind
9-mer
1nlo
RCSB PDB
PDBbind
9-mer
1oai
RCSB PDB
PDBbind
9-mer
1oxn
RCSB PDB
PDBbind
9-mer
1oxq
RCSB PDB
PDBbind
9-mer
1oy7
RCSB PDB
PDBbind
9-mer
1pcg
RCSB PDB
PDBbind
9-mer
1prl
RCSB PDB
PDBbind
9-mer
1prm
RCSB PDB
PDBbind
9-mer
1rlp
RCSB PDB
PDBbind
9-mer
1rlq
RCSB PDB
PDBbind
9-mer
1rst
RCSB PDB
PDBbind
9-mer
1utc
RCSB PDB
PDBbind
9-mer
1vwf
RCSB PDB
PDBbind
9-mer
1vwl
RCSB PDB
PDBbind
9-mer
1x7q
RCSB PDB
PDBbind
9-mer
1xr8
RCSB PDB
PDBbind
9-mer
1xr9
RCSB PDB
PDBbind
9-mer
1zea
RCSB PDB
PDBbind
9-mer
2bgn
RCSB PDB
PDBbind
9-mer
2bgr
RCSB PDB
PDBbind
9-mer
2e7l
RCSB PDB
PDBbind
9-mer
2gv2
RCSB PDB
PDBbind
9-mer
2h6q
RCSB PDB
PDBbind
9-mer
2hkf
RCSB PDB
PDBbind
9-mer
2jo9
RCSB PDB
PDBbind
9-mer
2jup
RCSB PDB
PDBbind
9-mer
2kgi
RCSB PDB
PDBbind
9-mer
2khh
RCSB PDB
PDBbind
9-mer
2lnw
RCSB PDB
PDBbind
9-mer
2lsv
RCSB PDB
PDBbind
9-mer
2mpa
RCSB PDB
PDBbind
9-mer
2ms4
RCSB PDB
PDBbind
9-mer
2oei
RCSB PDB
PDBbind
9-mer
2oi9
RCSB PDB
PDBbind
9-mer
2q8y
RCSB PDB
PDBbind
9-mer
2qt5
RCSB PDB
PDBbind
9-mer
2rm0
RCSB PDB
PDBbind
9-mer
2v83
RCSB PDB
PDBbind
9-mer
2v86
RCSB PDB
PDBbind
9-mer
2vpe
RCSB PDB
PDBbind
9-mer
2w0z
RCSB PDB
PDBbind
9-mer
2x3t
RCSB PDB
PDBbind
9-mer
2x4o
RCSB PDB
PDBbind
9-mer
2x4r
RCSB PDB
PDBbind
9-mer
2x4s
RCSB PDB
PDBbind
9-mer
2x4t
RCSB PDB
PDBbind
9-mer
2x4u
RCSB PDB
PDBbind
9-mer
2xhs
RCSB PDB
PDBbind
9-mer
2ymt
RCSB PDB
PDBbind
9-mer
3ah8
RCSB PDB
PDBbind
9-mer
3bgm
RCSB PDB
PDBbind
9-mer
3bze
RCSB PDB
PDBbind
9-mer
3bzf
RCSB PDB
PDBbind
9-mer
3bzi
RCSB PDB
PDBbind
9-mer
3cii
RCSB PDB
PDBbind
9-mer
3cyy
RCSB PDB
PDBbind
9-mer
3d1f
RCSB PDB
PDBbind
9-mer
3d25
RCSB PDB
PDBbind
9-mer
3drg
RCSB PDB
PDBbind
9-mer
3ery
RCSB PDB
PDBbind
9-mer
3fbr
RCSB PDB
PDBbind
9-mer
3fn0
RCSB PDB
PDBbind
9-mer
3ft2
RCSB PDB
PDBbind
9-mer
3ft3
RCSB PDB
PDBbind
9-mer
3ft4
RCSB PDB
PDBbind
9-mer
3gl6
RCSB PDB
PDBbind
9-mer
3iet
RCSB PDB
PDBbind
9-mer
3k27
RCSB PDB
PDBbind
9-mer
3lqi
RCSB PDB
PDBbind
9-mer
3lqj
RCSB PDB
PDBbind
9-mer
3mxc
RCSB PDB
PDBbind
9-mer
3mxy
RCSB PDB
PDBbind
9-mer
3o4l
RCSB PDB
PDBbind
9-mer
3o6m
RCSB PDB
PDBbind
9-mer
3obq
RCSB PDB
PDBbind
9-mer
3obu
RCSB PDB
PDBbind
9-mer
3obx
RCSB PDB
PDBbind
9-mer
3qfd
RCSB PDB
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3r42
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PDBbind
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3rwc
RCSB PDB
PDBbind
9-mer
3rwe
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PDBbind
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3rwg
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3soq
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PDBbind
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3sou
RCSB PDB
PDBbind
9-mer
3sov
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PDBbind
9-mer
3sow
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PDBbind
9-mer
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RCSB PDB
PDBbind
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3tf7
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PDBbind
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PDBbind
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PDBbind
9-mer
3tpu
RCSB PDB
PDBbind
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3zhf
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PDBbind
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4bt9
RCSB PDB
PDBbind
9-mer
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RCSB PDB
PDBbind
9-mer
4cdr
RCSB PDB
PDBbind
9-mer
4ezq
RCSB PDB
PDBbind
9-mer
4ezt
RCSB PDB
PDBbind
9-mer
4fcm
RCSB PDB
PDBbind
9-mer
4fmn
RCSB PDB
PDBbind
9-mer
4i80
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PDBbind
9-mer
4iho
RCSB PDB
PDBbind
9-mer
4j3u
RCSB PDB
PDBbind
9-mer
4mex
RCSB PDB
PDBbind
9-mer
4mnq
RCSB PDB
PDBbind
9-mer
4mzf
RCSB PDB
PDBbind
9-mer
4mzh
RCSB PDB
PDBbind
9-mer
4o2e
RCSB PDB
PDBbind
9-mer
4od7
RCSB PDB
PDBbind
9-mer
4pg9
RCSB PDB
PDBbind
9-mer
4pgb
RCSB PDB
PDBbind
9-mer
4pgc
RCSB PDB
PDBbind
9-mer
4pgd
RCSB PDB
PDBbind
9-mer
4pge
RCSB PDB
PDBbind
9-mer
4rh5
RCSB PDB
PDBbind
9-mer
4utn
RCSB PDB
PDBbind
9-mer
4utr
RCSB PDB
PDBbind
9-mer
4utv
RCSB PDB
PDBbind
9-mer
4utx
RCSB PDB
PDBbind
9-mer
4uu7
RCSB PDB
PDBbind
9-mer
4uu8
RCSB PDB
PDBbind
9-mer
4uua
RCSB PDB
PDBbind
9-mer
4uub
RCSB PDB
PDBbind
9-mer
4x3h
RCSB PDB
PDBbind
9-mer
4y5i
RCSB PDB
PDBbind
9-mer
4yoz
RCSB PDB
PDBbind
9-mer
5apr
RCSB PDB
PDBbind
9-mer
5brz
RCSB PDB
PDBbind
9-mer
5bs0
RCSB PDB
PDBbind
9-mer
5cvd
RCSB PDB
PDBbind
9-mer
5d0j
RCSB PDB
PDBbind
9-mer
5dms
RCSB PDB
PDBbind
9-mer
5e4w
RCSB PDB
PDBbind
9-mer
5eel
RCSB PDB
PDBbind
9-mer
5eok
RCSB PDB
PDBbind
9-mer
5fjw
RCSB PDB
PDBbind
9-mer
5gu4
RCSB PDB
PDBbind
9-mer
5hda
RCSB PDB
PDBbind
9-mer
5heb
RCSB PDB
PDBbind
9-mer
5hed
RCSB PDB
PDBbind
9-mer
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfb
RCSB PDB
PDBbind
9-mer
5hfc
RCSB PDB
PDBbind
9-mer
5hff
RCSB PDB
PDBbind
9-mer
5hjc
RCSB PDB
PDBbind
9-mer
5hkh
RCSB PDB
PDBbind
9-mer
5i8c
RCSB PDB
PDBbind
9-mer
5isz
RCSB PDB
PDBbind
9-mer
5jhd
RCSB PDB
PDBbind
9-mer
5lb7
RCSB PDB
PDBbind
9-mer
5lgs
RCSB PDB
PDBbind
9-mer
5nme
RCSB PDB
PDBbind
9-mer
5nmf
RCSB PDB
PDBbind
9-mer
5nmg
RCSB PDB
PDBbind
9-mer
5npr
RCSB PDB
PDBbind
9-mer
5nps
RCSB PDB
PDBbind
9-mer
5swf
RCSB PDB
PDBbind
9-mer
5u98
RCSB PDB
PDBbind
9-mer
5w1v
RCSB PDB
PDBbind
9-mer
5w1w
RCSB PDB
PDBbind
9-mer
5w7x
RCSB PDB
PDBbind
9-mer
5yc3
RCSB PDB
PDBbind
9-mer
5yc4
RCSB PDB
PDBbind
9-mer
5ygf
RCSB PDB
PDBbind
9-mer
5yvx
RCSB PDB
PDBbind
9-mer
5yy4
RCSB PDB
PDBbind
9-mer
5zia
RCSB PDB
PDBbind
9-mer
6bj2
RCSB PDB
PDBbind
9-mer
6bj3
RCSB PDB
PDBbind
9-mer
6c4u
RCSB PDB
PDBbind
9-mer
6evm
RCSB PDB
PDBbind
9-mer
6evn
RCSB PDB
PDBbind
9-mer
6evo
RCSB PDB
PDBbind
9-mer
6evp
RCSB PDB
PDBbind
9-mer
6fdp
RCSB PDB
PDBbind
9-mer
6fdt
RCSB PDB
PDBbind
9-mer
6qts
RCSB PDB
PDBbind
9-mer
6qtq
RCSB PDB
PDBbind
9-mer
6q38
RCSB PDB
PDBbind
9-mer
6o9c
RCSB PDB
PDBbind
9-mer
6o9b
RCSB PDB
PDBbind
9-mer
6ncp
RCSB PDB
PDBbind
9-mer
6mt6
RCSB PDB
PDBbind
9-mer
6mt5
RCSB PDB
PDBbind
9-mer
6mt4
RCSB PDB
PDBbind
9-mer
6i7a
RCSB PDB
PDBbind
9-mer
6i68
RCSB PDB
PDBbind
9-mer
6i5p
RCSB PDB
PDBbind
9-mer
6i41
RCSB PDB
PDBbind
9-mer
6hlb
RCSB PDB
PDBbind
9-mer
6eqa
RCSB PDB
PDBbind
9-mer
6d78
RCSB PDB
PDBbind
9-mer
6aee
RCSB PDB
PDBbind
9-mer
5y5w
RCSB PDB
PDBbind
9-mer
5wlg
RCSB PDB
PDBbind
9-mer
5u1q
RCSB PDB
PDBbind
9-mer
5u06
RCSB PDB
PDBbind
9-mer
5tyi
RCSB PDB
PDBbind
9-mer
5iza
RCSB PDB
PDBbind
9-mer
5iz9
RCSB PDB
PDBbind
9-mer
5iz6
RCSB PDB
PDBbind
9-mer
6a9c
RCSB PDB
PDBbind
9-mer
5b6g
RCSB PDB
PDBbind
9-mer
Entry Information
PDB ID
4qbm
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human BAZ2A PHD zinc finger, TIP5 BRD
Ligand Name
9-mer
EC.Number
E.C.-.-.-.-
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
Kd=26.08uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Structure Vol. 23: pp. 80-92
Ligand Properties
Formula
C
5
0
H
9
2
N
1
9
O
1
2
Molecular Weight
1151.390
Exact Mass
1150.720
No. of atoms
173
No. of bonds
173
Polar Surface Area
516.64
LOGP Value
-0.64 (
Computed with XLOGP3
)
-2.53 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 49
No. of Nitrogen and Oxygen Atoms: 31
No. of Rings: 1
Canonical SMILES
[NH3+]CC(=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)O)CC(C)C)C(C)C)CCCCNC(=O)C)CCC[NH+]=C(N)N)Cc1nc[nH]c1)CCC[NH+]=C(N)N)CCCCNC(=O)C)C
InChI String
InChI=1S/C50H89N19O12/c1-27(2)22-38(48(80)81)68-47(79)40(28(3)4)69-45(77)34(15-9-11-19-58-31(7)71)64-43(75)35(16-12-20-59-49(52)53)66-46(78)37(23-32-25-56-26-61-32)67-44(76)36(17-13-21-60-50(54)55)65-42(74)33(14-8-10-18-57-30(6)70)63-41(73)29(5)62-39(72)24-51/h25-29,33-38,40H,8-24,51H2,1-7H3,(H,56,61)(H,57,70)(H,58,71)(H,62,72)(H,63,73)(H,64,75)(H,65,74)(H,66,78)(H,67,76)(H,68,79)(H,69,77)(H,80,81)(H4,52,53,59)(H4,54,55,60)/p+3/t29-,33-,34-,35-,36-,37-,38-,40-/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):
Q9UIF9
Entrez Gene ID
NCBI Entrez Gene ID:
11176
ASD
Information of known allosteric effects of PDB entries
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