Browse entries in the PDBbind-CN Database
HEADER 6ATV_COMPLEX COMPND 6ATV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 58 ALA GLU TYR VAL ARG ALA LEU PHE ASP PHE ASN GLY ASN SEQRES 2 A 58 ASP GLU GLU ASP LEU PRO PHE LYS LYS GLY ASP ILE LEU SEQRES 3 A 58 ARG ILE ARG ASP LYS PRO GLU GLU GLN TRP TRP ASN ALA SEQRES 4 A 58 GLU ASP SER GLU GLY LYS ARG GLY MET ILE PRO VAL PRO SEQRES 5 A 58 TYR VAL GLU LYS TYR ARG HET ACE A 173 243 ATOM 1 N ALA A 134 -9.477 2.425 3.062 1.00 37.34 N ATOM 2 CA ALA A 134 -9.458 3.462 2.041 1.00 30.90 C ATOM 3 C ALA A 134 -8.689 4.681 2.545 1.00 30.80 C ATOM 4 O ALA A 134 -8.625 4.926 3.746 1.00 36.90 O ATOM 5 CB ALA A 134 -10.872 3.845 1.646 1.00 30.11 C ATOM 6 HN3 ALA A 134 -9.940 2.791 3.918 1.00 0.00 H ATOM 7 HN2 ALA A 134 -8.501 2.144 3.288 1.00 0.00 H ATOM 8 HN1 ALA A 134 -10.003 1.601 2.708 1.00 0.00 H ATOM 9 N GLU A 135 -8.090 5.433 1.628 1.00 20.19 N ATOM 10 CA GLU A 135 -7.334 6.632 1.965 1.00 17.69 C ATOM 11 C GLU A 135 -7.988 7.839 1.315 1.00 14.70 C ATOM 12 O GLU A 135 -8.211 7.851 0.099 1.00 13.54 O ATOM 13 CB GLU A 135 -5.878 6.510 1.513 1.00 26.83 C ATOM 14 CG GLU A 135 -5.060 7.780 1.682 1.00 25.40 C ATOM 15 CD GLU A 135 -3.583 7.558 1.372 1.00 32.72 C ATOM 16 OE1 GLU A 135 -3.238 6.454 0.897 1.00 36.79 O ATOM 17 OE2 GLU A 135 -2.776 8.481 1.613 1.00 34.10 O ATOM 18 H GLU A 135 -8.164 5.154 0.629 1.00 0.00 H ATOM 19 N TYR A 136 -8.271 8.859 2.120 1.00 13.75 N ATOM 20 CA TYR A 136 -8.829 10.108 1.632 1.00 11.35 C ATOM 21 C TYR A 136 -7.852 11.242 1.914 1.00 10.53 C ATOM 22 O TYR A 136 -7.111 11.208 2.904 1.00 12.16 O ATOM 23 CB TYR A 136 -10.198 10.394 2.282 1.00 12.33 C ATOM 24 CG TYR A 136 -11.289 9.432 1.845 1.00 12.95 C ATOM 25 CD1 TYR A 136 -11.437 8.197 2.455 1.00 15.52 C ATOM 26 CD2 TYR A 136 -12.154 9.754 0.799 1.00 15.21 C ATOM 27 CE1 TYR A 136 -12.430 7.310 2.049 1.00 16.89 C ATOM 28 CE2 TYR A 136 -13.153 8.878 0.392 1.00 13.33 C ATOM 29 CZ TYR A 136 -13.281 7.654 1.012 1.00 17.63 C ATOM 30 OH TYR A 136 -14.261 6.766 0.602 1.00 17.65 O ATOM 31 HH TYR A 136 -14.210 5.944 1.151 1.00 0.00 H ATOM 32 H TYR A 136 -8.086 8.758 3.138 1.00 0.00 H ATOM 33 N VAL A 137 -7.847 12.247 1.035 1.00 9.43 N ATOM 34 CA VAL A 137 -7.018 13.426 1.244 1.00 10.45 C ATOM 35 C VAL A 137 -7.880 14.679 1.131 1.00 12.71 C ATOM 36 O VAL A 137 -8.960 14.675 0.533 1.00 9.68 O ATOM 37 CB VAL A 137 -5.827 13.492 0.262 1.00 13.23 C ATOM 38 CG1 VAL A 137 -4.997 12.229 0.370 1.00 11.45 C ATOM 39 CG2 VAL A 137 -6.321 13.702 -1.165 1.00 11.74 C ATOM 40 H VAL A 137 -8.445 12.187 0.187 1.00 0.00 H ATOM 41 N ARG A 138 -7.389 15.756 1.743 1.00 13.89 N ATOM 42 CA ARG A 138 -8.029 17.064 1.688 1.00 10.29 C ATOM 43 C ARG A 138 -7.155 18.006 0.870 1.00 10.80 C ATOM 44 O ARG A 138 -5.941 18.102 1.105 1.00 12.29 O ATOM 45 CB ARG A 138 -8.267 17.629 3.098 1.00 10.22 C ATOM 46 CG ARG A 138 -8.624 19.124 3.117 1.00 11.24 C ATOM 47 CD ARG A 138 -8.866 19.642 4.542 1.00 16.02 C ATOM 48 NE ARG A 138 -7.682 19.433 5.373 1.00 21.35 N ATOM 49 CZ ARG A 138 -6.718 20.329 5.556 1.00 28.46 C ATOM 50 NH1 ARG A 138 -6.801 21.524 4.983 1.00 28.49 N ATOM 51 NH2 ARG A 138 -5.671 20.034 6.321 1.00 26.68 N ATOM 52 HE ARG A 138 -7.587 18.517 5.856 1.00 0.00 H ATOM 53 HH12 ARG A 138 -6.045 22.224 5.128 1.00 0.00 H ATOM 54 HH11 ARG A 138 -7.622 21.760 4.390 1.00 0.00 H ATOM 55 HH22 ARG A 138 -4.917 20.736 6.464 1.00 0.00 H ATOM 56 HH21 ARG A 138 -5.606 19.101 6.777 1.00 0.00 H ATOM 57 H ARG A 138 -6.507 15.658 2.286 1.00 0.00 H ATOM 58 N ALA A 139 -7.776 18.687 -0.090 1.00 8.77 N ATOM 59 CA ALA A 139 -7.075 19.639 -0.940 1.00 9.81 C ATOM 60 C ALA A 139 -6.710 20.892 -0.158 1.00 12.16 C ATOM 61 O ALA A 139 -7.568 21.528 0.463 1.00 12.85 O ATOM 62 CB ALA A 139 -7.952 20.006 -2.138 1.00 9.61 C ATOM 63 H ALA A 139 -8.794 18.534 -0.238 1.00 0.00 H ATOM 64 N LEU A 140 -5.426 21.244 -0.192 1.00 10.22 N ATOM 65 CA LEU A 140 -4.926 22.452 0.450 1.00 9.67 C ATOM 66 C LEU A 140 -5.040 23.689 -0.432 1.00 10.92 C ATOM 67 O LEU A 140 -5.010 24.814 0.097 1.00 12.42 O ATOM 68 CB LEU A 140 -3.465 22.249 0.840 1.00 12.95 C ATOM 69 CG LEU A 140 -3.220 21.083 1.781 1.00 14.21 C ATOM 70 CD1 LEU A 140 -1.722 20.847 1.893 1.00 16.93 C ATOM 71 CD2 LEU A 140 -3.830 21.393 3.140 1.00 17.88 C ATOM 72 H LEU A 140 -4.754 20.632 -0.697 1.00 0.00 H ATOM 73 N PHE A 141 -5.150 23.504 -1.747 1.00 11.53 N ATOM 74 CA PHE A 141 -5.189 24.584 -2.721 1.00 12.26 C ATOM 75 C PHE A 141 -6.135 24.190 -3.846 1.00 13.92 C ATOM 76 O PHE A 141 -6.456 23.014 -4.014 1.00 13.39 O ATOM 77 CB PHE A 141 -3.797 24.872 -3.301 1.00 12.40 C ATOM 78 CG PHE A 141 -2.700 24.868 -2.276 1.00 11.49 C ATOM 79 CD1 PHE A 141 -2.420 26.010 -1.549 1.00 17.15 C ATOM 80 CD2 PHE A 141 -1.941 23.724 -2.041 1.00 11.83 C ATOM 81 CE1 PHE A 141 -1.409 26.019 -0.599 1.00 21.38 C ATOM 82 CE2 PHE A 141 -0.920 23.732 -1.072 1.00 13.35 C ATOM 83 CZ PHE A 141 -0.662 24.877 -0.364 1.00 16.87 C ATOM 84 H PHE A 141 -5.212 22.527 -2.099 1.00 0.00 H ATOM 85 N ASP A 142 -6.592 25.185 -4.613 1.00 11.09 N ATOM 86 CA ASP A 142 -7.253 24.889 -5.879 1.00 12.81 C ATOM 87 C ASP A 142 -6.252 24.267 -6.844 1.00 18.06 C ATOM 88 O ASP A 142 -5.061 24.594 -6.832 1.00 12.86 O ATOM 89 CB ASP A 142 -7.827 26.148 -6.548 1.00 13.52 C ATOM 90 CG ASP A 142 -8.937 26.824 -5.752 1.00 17.64 C ATOM 91 OD1 ASP A 142 -9.569 26.199 -4.882 1.00 15.40 O ATOM 92 OD2 ASP A 142 -9.190 28.012 -6.030 1.00 19.67 O ATOM 93 H ASP A 142 -6.476 26.172 -4.306 1.00 0.00 H ATOM 94 N PHE A 143 -6.758 23.392 -7.713 1.00 12.00 N ATOM 95 CA PHE A 143 -5.970 22.791 -8.787 1.00 14.14 C ATOM 96 C PHE A 143 -6.825 22.818 -10.045 1.00 18.09 C ATOM 97 O PHE A 143 -7.847 22.129 -10.113 1.00 14.33 O ATOM 98 CB PHE A 143 -5.551 21.362 -8.441 1.00 12.02 C ATOM 99 CG PHE A 143 -4.861 20.639 -9.562 1.00 13.23 C ATOM 100 CD1 PHE A 143 -3.755 21.199 -10.198 1.00 11.23 C ATOM 101 CD2 PHE A 143 -5.298 19.383 -9.965 1.00 11.14 C ATOM 102 CE1 PHE A 143 -3.108 20.526 -11.238 1.00 13.25 C ATOM 103 CE2 PHE A 143 -4.656 18.710 -11.003 1.00 11.84 C ATOM 104 CZ PHE A 143 -3.557 19.273 -11.634 1.00 12.83 C ATOM 105 H PHE A 143 -7.759 23.125 -7.623 1.00 0.00 H ATOM 106 N ASN A 144 -6.416 23.617 -11.033 1.00 15.46 N ATOM 107 CA ASN A 144 -7.205 23.777 -12.248 1.00 18.13 C ATOM 108 C ASN A 144 -7.014 22.635 -13.231 1.00 16.60 C ATOM 109 O ASN A 144 -7.836 22.480 -14.140 1.00 22.00 O ATOM 110 CB ASN A 144 -6.845 25.084 -12.955 1.00 34.61 C ATOM 111 CG ASN A 144 -7.088 26.299 -12.093 1.00 49.77 C ATOM 112 OD1 ASN A 144 -6.196 27.131 -11.908 1.00 56.58 O ATOM 113 ND2 ASN A 144 -8.297 26.409 -11.550 1.00 53.61 N ATOM 114 HD22 ASN A 144 -9.018 25.682 -11.734 1.00 0.00 H ATOM 115 HD21 ASN A 144 -8.522 27.222 -10.941 1.00 0.00 H ATOM 116 H ASN A 144 -5.519 24.134 -10.934 1.00 0.00 H ATOM 117 N GLY A 145 -5.936 21.873 -13.102 1.00 16.22 N ATOM 118 CA GLY A 145 -5.574 20.881 -14.090 1.00 11.96 C ATOM 119 C GLY A 145 -4.902 21.504 -15.298 1.00 14.77 C ATOM 120 O GLY A 145 -5.113 22.676 -15.603 1.00 15.71 O ATOM 121 H GLY A 145 -5.332 21.993 -12.264 1.00 0.00 H ATOM 122 N ASN A 146 -4.078 20.742 -15.965 1.00 14.53 N ATOM 123 CA ASN A 146 -3.411 21.189 -17.182 1.00 14.66 C ATOM 124 C ASN A 146 -3.457 20.141 -18.275 1.00 14.02 C ATOM 125 O ASN A 146 -3.647 20.486 -19.444 1.00 15.16 O ATOM 126 CB ASN A 146 -1.937 21.527 -16.893 1.00 17.14 C ATOM 127 CG ASN A 146 -1.781 22.542 -15.793 1.00 17.73 C ATOM 128 OD1 ASN A 146 -1.750 23.747 -16.049 1.00 17.96 O ATOM 129 ND2 ASN A 146 -1.680 22.062 -14.551 1.00 15.51 N ATOM 130 HD22 ASN A 146 -1.712 21.036 -14.386 1.00 0.00 H ATOM 131 HD21 ASN A 146 -1.570 22.715 -13.749 1.00 0.00 H ATOM 132 H ASN A 146 -3.890 19.781 -15.615 1.00 0.00 H ATOM 133 N ASP A 147 -3.245 18.878 -17.922 1.00 13.54 N ATOM 134 CA ASP A 147 -3.235 17.751 -18.839 1.00 15.91 C ATOM 135 C ASP A 147 -4.602 17.083 -18.826 1.00 16.07 C ATOM 136 O ASP A 147 -5.326 17.131 -17.826 1.00 14.82 O ATOM 137 CB ASP A 147 -2.152 16.740 -18.443 1.00 16.09 C ATOM 138 CG ASP A 147 -0.737 17.309 -18.542 1.00 19.48 C ATOM 139 OD1 ASP A 147 -0.536 18.330 -19.242 1.00 16.19 O ATOM 140 OD2 ASP A 147 0.188 16.712 -17.949 1.00 15.98 O ATOM 141 H ASP A 147 -3.074 18.681 -16.915 1.00 0.00 H ATOM 142 N GLU A 148 -4.938 16.432 -19.948 1.00 15.81 N ATOM 143 CA GLU A 148 -6.237 15.774 -20.062 1.00 23.74 C ATOM 144 C GLU A 148 -6.481 14.786 -18.926 1.00 19.09 C ATOM 145 O GLU A 148 -7.631 14.599 -18.507 1.00 18.29 O ATOM 146 CB GLU A 148 -6.348 15.071 -21.420 1.00 35.19 C ATOM 147 CG GLU A 148 -7.536 14.109 -21.564 1.00 51.34 C ATOM 148 CD GLU A 148 -7.272 12.725 -20.977 1.00 68.23 C ATOM 149 OE1 GLU A 148 -6.083 12.334 -20.882 1.00 74.86 O ATOM 150 OE2 GLU A 148 -8.248 12.044 -20.598 1.00 74.85 O ATOM 151 H GLU A 148 -4.269 16.395 -20.743 1.00 0.00 H ATOM 152 N GLU A 149 -5.425 14.151 -18.413 1.00 15.17 N ATOM 153 CA GLU A 149 -5.586 13.121 -17.394 1.00 17.34 C ATOM 154 C GLU A 149 -5.795 13.681 -15.994 1.00 15.60 C ATOM 155 O GLU A 149 -6.037 12.901 -15.069 1.00 12.68 O ATOM 156 CB GLU A 149 -4.362 12.205 -17.366 1.00 20.01 C ATOM 157 CG GLU A 149 -3.100 12.930 -16.904 1.00 17.74 C ATOM 158 CD GLU A 149 -1.941 11.998 -16.606 1.00 24.50 C ATOM 159 OE1 GLU A 149 -2.078 10.776 -16.835 1.00 22.65 O ATOM 160 OE2 GLU A 149 -0.889 12.492 -16.133 1.00 24.15 O ATOM 161 H GLU A 149 -4.471 14.395 -18.746 1.00 0.00 H ATOM 162 N ASP A 150 -5.667 14.986 -15.803 1.00 10.15 N ATOM 163 CA ASP A 150 -5.702 15.547 -14.458 1.00 9.66 C ATOM 164 C ASP A 150 -7.131 15.604 -13.934 1.00 11.25 C ATOM 165 O ASP A 150 -8.088 15.701 -14.703 1.00 13.82 O ATOM 166 CB ASP A 150 -5.112 16.957 -14.434 1.00 9.43 C ATOM 167 CG ASP A 150 -3.645 16.991 -14.803 1.00 11.82 C ATOM 168 OD1 ASP A 150 -2.971 15.931 -14.743 1.00 14.15 O ATOM 169 OD2 ASP A 150 -3.155 18.092 -15.143 1.00 13.19 O ATOM 170 H ASP A 150 -5.540 15.616 -16.621 1.00 0.00 H ATOM 171 N LEU A 151 -7.261 15.567 -12.609 1.00 7.59 N ATOM 172 CA LEU A 151 -8.538 15.779 -11.929 1.00 9.55 C ATOM 173 C LEU A 151 -8.529 17.156 -11.277 1.00 12.22 C ATOM 174 O LEU A 151 -7.867 17.345 -10.244 1.00 12.02 O ATOM 175 CB LEU A 151 -8.775 14.689 -10.874 1.00 10.85 C ATOM 176 CG LEU A 151 -10.071 14.820 -10.051 1.00 11.79 C ATOM 177 CD1 LEU A 151 -11.305 14.699 -10.946 1.00 13.49 C ATOM 178 CD2 LEU A 151 -10.132 13.802 -8.920 1.00 10.56 C ATOM 179 H LEU A 151 -6.416 15.379 -12.032 1.00 0.00 H ATOM 180 N PRO A 152 -9.218 18.153 -11.834 1.00 11.01 N ATOM 181 CA PRO A 152 -9.281 19.456 -11.157 1.00 10.34 C ATOM 182 C PRO A 152 -10.059 19.359 -9.854 1.00 11.86 C ATOM 183 O PRO A 152 -10.967 18.536 -9.705 1.00 13.51 O ATOM 184 CB PRO A 152 -10.000 20.354 -12.172 1.00 16.02 C ATOM 185 CG PRO A 152 -9.780 19.666 -13.506 1.00 18.70 C ATOM 186 CD PRO A 152 -9.832 18.201 -13.172 1.00 14.90 C ATOM 187 N PHE A 153 -9.689 20.210 -8.898 1.00 10.20 N ATOM 188 CA PHE A 153 -10.398 20.262 -7.626 1.00 11.97 C ATOM 189 C PHE A 153 -10.237 21.640 -7.000 1.00 11.81 C ATOM 190 O PHE A 153 -9.467 22.482 -7.474 1.00 11.52 O ATOM 191 CB PHE A 153 -9.925 19.170 -6.647 1.00 9.51 C ATOM 192 CG PHE A 153 -8.431 19.126 -6.430 1.00 11.09 C ATOM 193 CD1 PHE A 153 -7.821 20.015 -5.561 1.00 9.64 C ATOM 194 CD2 PHE A 153 -7.648 18.168 -7.063 1.00 12.33 C ATOM 195 CE1 PHE A 153 -6.442 19.973 -5.330 1.00 6.21 C ATOM 196 CE2 PHE A 153 -6.277 18.116 -6.848 1.00 10.30 C ATOM 197 CZ PHE A 153 -5.671 19.015 -5.976 1.00 9.79 C ATOM 198 H PHE A 153 -8.883 20.846 -9.062 1.00 0.00 H ATOM 199 N LYS A 154 -11.004 21.862 -5.930 1.00 10.86 N ATOM 200 CA LYS A 154 -10.997 23.107 -5.179 1.00 11.50 C ATOM 201 C LYS A 154 -10.460 22.868 -3.775 1.00 9.81 C ATOM 202 O LYS A 154 -10.577 21.769 -3.218 1.00 11.02 O ATOM 203 CB LYS A 154 -12.400 23.726 -5.074 1.00 13.32 C ATOM 204 CG LYS A 154 -12.955 24.277 -6.381 1.00 20.51 C ATOM 205 CD LYS A 154 -12.023 25.318 -6.972 1.00 26.16 C ATOM 206 CE LYS A 154 -12.553 25.862 -8.299 1.00 34.69 C ATOM 207 NZ LYS A 154 -11.509 26.636 -9.044 1.00 41.26 N ATOM 208 HZ1 LYS A 154 -11.196 27.440 -8.464 1.00 0.00 H ATOM 209 HZ2 LYS A 154 -10.698 26.017 -9.246 1.00 0.00 H ATOM 210 HZ3 LYS A 154 -11.910 26.986 -9.937 1.00 0.00 H ATOM 211 H LYS A 154 -11.642 21.103 -5.616 1.00 0.00 H ATOM 212 N LYS A 155 -9.885 23.921 -3.208 1.00 12.08 N ATOM 213 CA LYS A 155 -9.445 23.886 -1.823 1.00 13.53 C ATOM 214 C LYS A 155 -10.557 23.352 -0.931 1.00 13.78 C ATOM 215 O LYS A 155 -11.706 23.794 -1.012 1.00 12.79 O ATOM 216 CB LYS A 155 -9.031 25.286 -1.380 1.00 12.49 C ATOM 217 CG LYS A 155 -8.557 25.358 0.058 1.00 12.93 C ATOM 218 CD LYS A 155 -8.005 26.734 0.362 1.00 15.44 C ATOM 219 CE LYS A 155 -7.482 26.799 1.777 1.00 19.09 C ATOM 220 NZ LYS A 155 -7.040 28.175 2.137 1.00 27.22 N ATOM 221 HZ1 LYS A 155 -6.281 28.474 1.492 1.00 0.00 H ATOM 222 HZ2 LYS A 155 -7.844 28.829 2.054 1.00 0.00 H ATOM 223 HZ3 LYS A 155 -6.688 28.180 3.115 1.00 0.00 H ATOM 224 H LYS A 155 -9.746 24.788 -3.765 1.00 0.00 H ATOM 225 N GLY A 156 -10.213 22.379 -0.100 1.00 11.42 N ATOM 226 CA GLY A 156 -11.137 21.805 0.844 1.00 11.27 C ATOM 227 C GLY A 156 -11.852 20.566 0.343 1.00 15.12 C ATOM 228 O GLY A 156 -12.461 19.857 1.151 1.00 13.02 O ATOM 229 H GLY A 156 -9.239 22.016 -0.131 1.00 0.00 H ATOM 230 N ASP A 157 -11.800 20.289 -0.961 1.00 9.65 N ATOM 231 CA ASP A 157 -12.409 19.069 -1.482 1.00 10.58 C ATOM 232 C ASP A 157 -11.760 17.845 -0.849 1.00 8.06 C ATOM 233 O ASP A 157 -10.546 17.809 -0.630 1.00 10.81 O ATOM 234 CB ASP A 157 -12.255 18.986 -3.006 1.00 8.99 C ATOM 235 CG ASP A 157 -13.181 19.930 -3.757 1.00 16.98 C ATOM 236 OD1 ASP A 157 -14.118 20.500 -3.147 1.00 15.64 O ATOM 237 OD2 ASP A 157 -12.966 20.089 -4.982 1.00 13.55 O ATOM 238 H ASP A 157 -11.323 20.946 -1.610 1.00 0.00 H ATOM 239 N ILE A 158 -12.581 16.839 -0.556 1.00 8.81 N ATOM 240 CA ILE A 158 -12.107 15.558 -0.041 1.00 11.17 C ATOM 241 C ILE A 158 -12.099 14.567 -1.201 1.00 10.93 C ATOM 242 O ILE A 158 -13.129 14.363 -1.858 1.00 11.66 O ATOM 243 CB ILE A 158 -12.985 15.050 1.113 1.00 13.72 C ATOM 244 CG1 ILE A 158 -13.076 16.092 2.246 1.00 9.25 C ATOM 245 CG2 ILE A 158 -12.435 13.731 1.648 1.00 11.88 C ATOM 246 CD1 ILE A 158 -11.716 16.591 2.731 1.00 9.70 C ATOM 247 H ILE A 158 -13.602 16.971 -0.700 1.00 0.00 H ATOM 248 N LEU A 159 -10.935 13.976 -1.471 1.00 10.16 N ATOM 249 CA LEU A 159 -10.730 13.082 -2.606 1.00 11.06 C ATOM 250 C LEU A 159 -10.348 11.692 -2.112 1.00 12.04 C ATOM 251 O LEU A 159 -9.580 11.556 -1.158 1.00 12.27 O ATOM 252 CB LEU A 159 -9.631 13.622 -3.525 1.00 9.15 C ATOM 253 CG LEU A 159 -9.845 15.066 -3.976 1.00 12.26 C ATOM 254 CD1 LEU A 159 -8.610 15.620 -4.660 1.00 16.09 C ATOM 255 CD2 LEU A 159 -11.069 15.173 -4.900 1.00 13.35 C ATOM 256 H LEU A 159 -10.130 14.162 -0.839 1.00 0.00 H ATOM 257 N ARG A 160 -10.886 10.658 -2.759 1.00 10.78 N ATOM 258 CA ARG A 160 -10.469 9.288 -2.479 1.00 10.54 C ATOM 259 C ARG A 160 -9.254 8.942 -3.332 1.00 14.45 C ATOM 260 O ARG A 160 -9.250 9.187 -4.544 1.00 13.65 O ATOM 261 CB ARG A 160 -11.590 8.288 -2.759 1.00 14.10 C ATOM 262 CG ARG A 160 -11.122 6.868 -2.508 1.00 17.23 C ATOM 263 CD ARG A 160 -12.230 5.870 -2.390 1.00 29.46 C ATOM 264 NE ARG A 160 -11.703 4.568 -1.990 1.00 32.12 N ATOM 265 CZ ARG A 160 -12.462 3.517 -1.713 1.00 37.97 C ATOM 266 NH1 ARG A 160 -13.781 3.620 -1.793 1.00 43.32 N ATOM 267 NH2 ARG A 160 -11.906 2.368 -1.354 1.00 37.22 N ATOM 268 HE ARG A 160 -10.671 4.459 -1.918 1.00 0.00 H ATOM 269 HH12 ARG A 160 -14.381 2.798 -1.577 1.00 0.00 H ATOM 270 HH11 ARG A 160 -14.216 4.522 -2.072 1.00 0.00 H ATOM 271 HH22 ARG A 160 -12.505 1.546 -1.137 1.00 0.00 H ATOM 272 HH21 ARG A 160 -10.871 2.289 -1.289 1.00 0.00 H ATOM 273 H ARG A 160 -11.618 10.831 -3.478 1.00 0.00 H ATOM 274 N ILE A 161 -8.236 8.353 -2.711 1.00 13.20 N ATOM 275 CA ILE A 161 -7.070 7.892 -3.460 1.00 11.18 C ATOM 276 C ILE A 161 -7.338 6.493 -4.004 1.00 13.08 C ATOM 277 O ILE A 161 -7.651 5.562 -3.247 1.00 13.64 O ATOM 278 CB ILE A 161 -5.812 7.907 -2.580 1.00 10.52 C ATOM 279 CG1 ILE A 161 -5.564 9.299 -2.016 1.00 9.67 C ATOM 280 CG2 ILE A 161 -4.608 7.454 -3.375 1.00 12.49 C ATOM 281 CD1 ILE A 161 -5.467 10.378 -3.070 1.00 10.44 C ATOM 282 H ILE A 161 -8.271 8.219 -1.680 1.00 0.00 H ATOM 283 N ARG A 162 -7.190 6.333 -5.317 1.00 11.31 N ATOM 284 CA ARG A 162 -7.417 5.052 -5.971 1.00 13.74 C ATOM 285 C ARG A 162 -6.137 4.256 -6.175 1.00 14.88 C ATOM 286 O ARG A 162 -6.146 3.034 -5.993 1.00 17.35 O ATOM 287 CB ARG A 162 -8.137 5.261 -7.314 1.00 15.25 C ATOM 288 CG ARG A 162 -9.629 5.589 -7.142 1.00 21.22 C ATOM 289 CD ARG A 162 -10.375 5.719 -8.465 1.00 26.75 C ATOM 290 NE ARG A 162 -10.552 4.434 -9.145 1.00 26.50 N ATOM 291 CZ ARG A 162 -9.855 4.056 -10.210 1.00 32.01 C ATOM 292 NH1 ARG A 162 -8.936 4.864 -10.720 1.00 35.46 N ATOM 293 NH2 ARG A 162 -10.079 2.873 -10.768 1.00 30.59 N ATOM 294 HE ARG A 162 -11.267 3.778 -8.771 1.00 0.00 H ATOM 295 HH12 ARG A 162 -8.389 4.569 -11.554 1.00 0.00 H ATOM 296 HH11 ARG A 162 -8.762 5.793 -10.286 1.00 0.00 H ATOM 297 HH22 ARG A 162 -9.532 2.579 -11.602 1.00 0.00 H ATOM 298 HH21 ARG A 162 -10.802 2.239 -10.371 1.00 0.00 H ATOM 299 H ARG A 162 -6.903 7.149 -5.894 1.00 0.00 H ATOM 300 N ASP A 163 -5.032 4.909 -6.533 1.00 13.89 N ATOM 301 CA ASP A 163 -3.733 4.243 -6.596 1.00 17.90 C ATOM 302 C ASP A 163 -2.642 5.306 -6.667 1.00 18.12 C ATOM 303 O ASP A 163 -2.914 6.497 -6.842 1.00 16.58 O ATOM 304 CB ASP A 163 -3.636 3.275 -7.781 1.00 25.76 C ATOM 305 CG ASP A 163 -4.031 3.913 -9.086 1.00 28.86 C ATOM 306 OD1 ASP A 163 -3.160 4.521 -9.738 1.00 28.47 O ATOM 307 OD2 ASP A 163 -5.214 3.795 -9.467 1.00 32.76 O ATOM 308 H ASP A 163 -5.096 5.919 -6.774 1.00 0.00 H ATOM 309 N LYS A 164 -1.396 4.854 -6.531 1.00 14.22 N ATOM 310 CA LYS A 164 -0.238 5.744 -6.433 1.00 12.86 C ATOM 311 C LYS A 164 0.806 5.314 -7.455 1.00 15.77 C ATOM 312 O LYS A 164 1.778 4.625 -7.119 1.00 14.85 O ATOM 313 CB LYS A 164 0.337 5.733 -5.019 1.00 14.75 C ATOM 314 CG LYS A 164 -0.691 6.065 -3.967 1.00 12.06 C ATOM 315 CD LYS A 164 -0.109 6.008 -2.563 1.00 15.11 C ATOM 316 CE LYS A 164 -1.124 6.530 -1.554 1.00 17.33 C ATOM 317 NZ LYS A 164 -0.653 6.347 -0.153 1.00 17.72 N ATOM 318 HZ1 LYS A 164 -0.499 5.335 0.030 1.00 0.00 H ATOM 319 HZ2 LYS A 164 0.239 6.864 -0.018 1.00 0.00 H ATOM 320 HZ3 LYS A 164 -1.371 6.714 0.504 1.00 0.00 H ATOM 321 H LYS A 164 -1.240 3.827 -6.493 1.00 0.00 H ATOM 322 N PRO A 165 0.633 5.700 -8.721 1.00 13.51 N ATOM 323 CA PRO A 165 1.570 5.242 -9.760 1.00 16.80 C ATOM 324 C PRO A 165 2.939 5.880 -9.687 1.00 16.08 C ATOM 325 O PRO A 165 3.877 5.335 -10.280 1.00 17.05 O ATOM 326 CB PRO A 165 0.863 5.623 -11.067 1.00 18.84 C ATOM 327 CG PRO A 165 -0.042 6.718 -10.692 1.00 16.64 C ATOM 328 CD PRO A 165 -0.505 6.438 -9.287 1.00 14.50 C ATOM 329 N GLU A 166 3.080 7.017 -9.012 1.00 13.73 N ATOM 330 CA GLU A 166 4.373 7.663 -8.842 1.00 13.04 C ATOM 331 C GLU A 166 4.323 8.468 -7.549 1.00 12.98 C ATOM 332 O GLU A 166 3.267 8.620 -6.932 1.00 12.58 O ATOM 333 CB GLU A 166 4.728 8.544 -10.043 1.00 16.82 C ATOM 334 CG GLU A 166 3.821 9.735 -10.221 1.00 14.86 C ATOM 335 CD GLU A 166 4.127 10.513 -11.495 1.00 15.81 C ATOM 336 OE1 GLU A 166 3.389 10.370 -12.494 1.00 21.69 O ATOM 337 OE2 GLU A 166 5.115 11.266 -11.488 1.00 17.18 O ATOM 338 H GLU A 166 2.238 7.459 -8.591 1.00 0.00 H ATOM 339 N GLU A 167 5.481 9.001 -7.155 1.00 11.42 N ATOM 340 CA GLU A 167 5.605 9.605 -5.828 1.00 12.30 C ATOM 341 C GLU A 167 4.715 10.837 -5.667 1.00 13.55 C ATOM 342 O GLU A 167 4.071 11.012 -4.622 1.00 12.06 O ATOM 343 CB GLU A 167 7.063 9.974 -5.556 1.00 12.70 C ATOM 344 CG GLU A 167 7.326 10.492 -4.154 1.00 13.61 C ATOM 345 CD GLU A 167 8.756 10.945 -3.969 1.00 15.39 C ATOM 346 OE1 GLU A 167 9.504 10.257 -3.251 1.00 17.43 O ATOM 347 OE2 GLU A 167 9.134 11.980 -4.557 1.00 16.06 O ATOM 348 H GLU A 167 6.301 8.987 -7.795 1.00 0.00 H ATOM 349 N GLN A 168 4.680 11.710 -6.672 1.00 11.04 N ATOM 350 CA GLN A 168 4.035 13.011 -6.531 1.00 13.48 C ATOM 351 C GLN A 168 2.732 13.149 -7.306 1.00 12.80 C ATOM 352 O GLN A 168 2.143 14.236 -7.296 1.00 11.76 O ATOM 353 CB GLN A 168 4.994 14.123 -6.970 1.00 12.10 C ATOM 354 CG GLN A 168 6.319 14.124 -6.229 1.00 10.86 C ATOM 355 CD GLN A 168 6.169 14.463 -4.753 1.00 13.91 C ATOM 356 OE1 GLN A 168 5.178 15.065 -4.330 1.00 13.27 O ATOM 357 NE2 GLN A 168 7.171 14.085 -3.958 1.00 11.92 N ATOM 358 HE22 GLN A 168 7.988 13.579 -4.356 1.00 0.00 H ATOM 359 HE21 GLN A 168 7.135 14.296 -2.940 1.00 0.00 H ATOM 360 H GLN A 168 5.123 11.458 -7.579 1.00 0.00 H ATOM 361 N TRP A 169 2.279 12.103 -7.999 1.00 10.17 N ATOM 362 CA TRP A 169 1.014 12.144 -8.727 1.00 10.10 C ATOM 363 C TRP A 169 0.238 10.876 -8.412 1.00 9.85 C ATOM 364 O TRP A 169 0.723 9.768 -8.667 1.00 12.94 O ATOM 365 CB TRP A 169 1.231 12.288 -10.242 1.00 8.39 C ATOM 366 CG TRP A 169 1.685 13.666 -10.642 1.00 8.72 C ATOM 367 CD1 TRP A 169 2.976 14.097 -10.789 1.00 9.00 C ATOM 368 CD2 TRP A 169 0.849 14.782 -10.957 1.00 12.75 C ATOM 369 NE1 TRP A 169 2.989 15.424 -11.157 1.00 8.52 N ATOM 370 CE2 TRP A 169 1.697 15.866 -11.272 1.00 9.00 C ATOM 371 CE3 TRP A 169 -0.535 14.975 -10.995 1.00 12.88 C ATOM 372 CZ2 TRP A 169 1.206 17.117 -11.626 1.00 10.13 C ATOM 373 CZ3 TRP A 169 -1.028 16.229 -11.352 1.00 11.14 C ATOM 374 CH2 TRP A 169 -0.161 17.280 -11.668 1.00 10.73 C ATOM 375 HE1 TRP A 169 3.841 15.998 -11.321 1.00 0.00 H ATOM 376 H TRP A 169 2.845 11.231 -8.021 1.00 0.00 H ATOM 377 N TRP A 170 -0.958 11.038 -7.854 1.00 10.13 N ATOM 378 CA TRP A 170 -1.817 9.917 -7.499 1.00 9.73 C ATOM 379 C TRP A 170 -3.119 9.955 -8.294 1.00 8.47 C ATOM 380 O TRP A 170 -3.588 11.021 -8.700 1.00 13.07 O ATOM 381 CB TRP A 170 -2.135 9.925 -5.987 1.00 9.86 C ATOM 382 CG TRP A 170 -0.955 9.678 -5.096 1.00 11.81 C ATOM 383 CD1 TRP A 170 0.297 9.260 -5.466 1.00 11.40 C ATOM 384 CD2 TRP A 170 -0.920 9.838 -3.673 1.00 11.99 C ATOM 385 NE1 TRP A 170 1.104 9.146 -4.358 1.00 12.60 N ATOM 386 CE2 TRP A 170 0.383 9.498 -3.247 1.00 13.69 C ATOM 387 CE3 TRP A 170 -1.862 10.245 -2.721 1.00 12.45 C ATOM 388 CZ2 TRP A 170 0.765 9.552 -1.916 1.00 13.60 C ATOM 389 CZ3 TRP A 170 -1.480 10.294 -1.391 1.00 14.61 C ATOM 390 CH2 TRP A 170 -0.180 9.939 -1.003 1.00 11.91 C ATOM 391 HE1 TRP A 170 2.099 8.842 -4.363 1.00 0.00 H ATOM 392 H TRP A 170 -1.293 12.004 -7.663 1.00 0.00 H ATOM 393 N ASN A 171 -3.697 8.771 -8.508 1.00 9.56 N ATOM 394 CA ASN A 171 -5.015 8.624 -9.122 1.00 13.33 C ATOM 395 C ASN A 171 -6.071 8.792 -8.043 1.00 14.17 C ATOM 396 O ASN A 171 -6.074 8.031 -7.068 1.00 14.28 O ATOM 397 CB ASN A 171 -5.176 7.239 -9.749 1.00 19.55 C ATOM 398 CG ASN A 171 -4.633 7.149 -11.149 1.00 43.10 C ATOM 399 OD1 ASN A 171 -5.152 7.789 -12.058 1.00 58.15 O ATOM 400 ND2 ASN A 171 -3.612 6.310 -11.348 1.00 47.79 N ATOM 401 HD22 ASN A 171 -3.204 5.788 -10.546 1.00 0.00 H ATOM 402 HD21 ASN A 171 -3.226 6.179 -12.305 1.00 0.00 H ATOM 403 H ASN A 171 -3.185 7.912 -8.224 1.00 0.00 H ATOM 404 N ALA A 172 -6.989 9.742 -8.230 1.00 11.12 N ATOM 405 CA ALA A 172 -7.998 10.033 -7.215 1.00 12.70 C ATOM 406 C ALA A 172 -9.390 10.097 -7.833 1.00 15.01 C ATOM 407 O ALA A 172 -9.557 10.133 -9.056 1.00 16.87 O ATOM 408 CB ALA A 172 -7.671 11.339 -6.480 1.00 11.99 C ATOM 409 H ALA A 172 -6.986 10.286 -9.116 1.00 0.00 H ATOM 410 N GLU A 173 -10.410 10.114 -6.972 1.00 11.66 N ATOM 411 CA GLU A 173 -11.793 10.243 -7.418 1.00 13.37 C ATOM 412 C GLU A 173 -12.504 11.240 -6.520 1.00 16.90 C ATOM 413 O GLU A 173 -12.281 11.241 -5.304 1.00 16.65 O ATOM 414 CB GLU A 173 -12.535 8.901 -7.376 1.00 14.38 C ATOM 415 CG GLU A 173 -13.965 8.976 -7.912 1.00 16.60 C ATOM 416 CD GLU A 173 -14.562 7.617 -8.243 1.00 19.15 C ATOM 417 OE1 GLU A 173 -13.807 6.652 -8.486 1.00 18.68 O ATOM 418 OE2 GLU A 173 -15.803 7.516 -8.266 1.00 20.83 O ATOM 419 H GLU A 173 -10.213 10.033 -5.954 1.00 0.00 H ATOM 420 N ASP A 174 -13.362 12.081 -7.108 1.00 10.16 N ATOM 421 CA ASP A 174 -14.105 13.049 -6.312 1.00 10.20 C ATOM 422 C ASP A 174 -15.533 12.550 -6.068 1.00 15.06 C ATOM 423 O ASP A 174 -15.932 11.469 -6.506 1.00 14.49 O ATOM 424 CB ASP A 174 -14.075 14.445 -6.957 1.00 11.20 C ATOM 425 CG ASP A 174 -14.761 14.506 -8.314 1.00 15.26 C ATOM 426 OD1 ASP A 174 -15.640 13.670 -8.607 1.00 18.11 O ATOM 427 OD2 ASP A 174 -14.447 15.443 -9.091 1.00 18.24 O ATOM 428 H ASP A 174 -13.499 12.044 -8.138 1.00 0.00 H ATOM 429 N SER A 175 -16.310 13.345 -5.325 1.00 16.08 N ATOM 430 CA SER A 175 -17.632 12.891 -4.913 1.00 16.36 C ATOM 431 C SER A 175 -18.594 12.800 -6.083 1.00 20.59 C ATOM 432 O SER A 175 -19.633 12.143 -5.969 1.00 24.15 O ATOM 433 CB SER A 175 -18.206 13.828 -3.853 1.00 19.45 C ATOM 434 OG SER A 175 -18.390 15.121 -4.392 1.00 14.11 O ATOM 435 HG SER A 175 -18.762 15.718 -3.695 1.00 0.00 H ATOM 436 H SER A 175 -15.971 14.286 -5.041 1.00 0.00 H ATOM 437 N GLU A 176 -18.287 13.463 -7.191 1.00 19.49 N ATOM 438 CA GLU A 176 -19.129 13.395 -8.374 1.00 22.89 C ATOM 439 C GLU A 176 -18.797 12.204 -9.260 1.00 19.09 C ATOM 440 O GLU A 176 -19.460 12.008 -10.287 1.00 20.66 O ATOM 441 CB GLU A 176 -19.013 14.700 -9.162 1.00 29.12 C ATOM 442 CG GLU A 176 -19.623 15.874 -8.416 1.00 39.43 C ATOM 443 CD GLU A 176 -19.409 17.191 -9.123 1.00 56.89 C ATOM 444 OE1 GLU A 176 -18.554 17.244 -10.032 1.00 59.20 O ATOM 445 OE2 GLU A 176 -20.099 18.174 -8.771 1.00 66.72 O ATOM 446 H GLU A 176 -17.425 14.044 -7.213 1.00 0.00 H ATOM 447 N GLY A 177 -17.811 11.395 -8.877 1.00 20.21 N ATOM 448 CA GLY A 177 -17.439 10.228 -9.645 1.00 20.67 C ATOM 449 C GLY A 177 -16.354 10.458 -10.674 1.00 23.25 C ATOM 450 O GLY A 177 -15.976 9.511 -11.373 1.00 20.70 O ATOM 451 H GLY A 177 -17.294 11.609 -8.000 1.00 0.00 H ATOM 452 N LYS A 178 -15.848 11.678 -10.799 1.00 16.35 N ATOM 453 CA LYS A 178 -14.783 11.969 -11.748 1.00 16.67 C ATOM 454 C LYS A 178 -13.451 11.456 -11.213 1.00 14.32 C ATOM 455 O LYS A 178 -13.186 11.523 -10.012 1.00 14.84 O ATOM 456 CB LYS A 178 -14.703 13.472 -12.001 1.00 16.77 C ATOM 457 CG LYS A 178 -15.984 14.059 -12.568 1.00 24.08 C ATOM 458 CD LYS A 178 -15.912 15.570 -12.661 1.00 31.47 C ATOM 459 CE LYS A 178 -17.250 16.143 -13.128 1.00 41.82 C ATOM 460 NZ LYS A 178 -17.208 17.616 -13.371 1.00 47.34 N ATOM 461 HZ1 LYS A 178 -16.947 18.104 -12.490 1.00 0.00 H ATOM 462 HZ2 LYS A 178 -16.503 17.825 -14.106 1.00 0.00 H ATOM 463 HZ3 LYS A 178 -18.145 17.941 -13.685 1.00 0.00 H ATOM 464 H LYS A 178 -16.221 12.445 -10.204 1.00 0.00 H ATOM 465 N ARG A 179 -12.602 10.970 -12.118 1.00 14.76 N ATOM 466 CA ARG A 179 -11.321 10.372 -11.762 1.00 15.85 C ATOM 467 C ARG A 179 -10.186 11.049 -12.520 1.00 13.42 C ATOM 468 O ARG A 179 -10.363 11.484 -13.660 1.00 15.43 O ATOM 469 CB ARG A 179 -11.288 8.882 -12.099 1.00 21.56 C ATOM 470 CG ARG A 179 -12.302 8.034 -11.397 1.00 22.74 C ATOM 471 CD ARG A 179 -12.228 6.620 -11.941 1.00 22.49 C ATOM 472 NE ARG A 179 -13.160 5.753 -11.237 1.00 26.76 N ATOM 473 CZ ARG A 179 -13.414 4.497 -11.578 1.00 28.49 C ATOM 474 NH1 ARG A 179 -12.805 3.958 -12.625 1.00 21.42 N ATOM 475 NH2 ARG A 179 -14.285 3.788 -10.872 1.00 32.76 N ATOM 476 HE ARG A 179 -13.660 6.144 -10.413 1.00 0.00 H ATOM 477 HH12 ARG A 179 -13.004 2.973 -12.892 1.00 0.00 H ATOM 478 HH11 ARG A 179 -12.128 4.520 -13.179 1.00 0.00 H ATOM 479 HH22 ARG A 179 -14.488 2.802 -11.135 1.00 0.00 H ATOM 480 HH21 ARG A 179 -14.765 4.218 -10.055 1.00 0.00 H ATOM 481 H ARG A 179 -12.865 11.020 -13.123 1.00 0.00 H ATOM 482 N GLY A 180 -9.011 11.108 -11.902 1.00 12.86 N ATOM 483 CA GLY A 180 -7.843 11.592 -12.615 1.00 12.15 C ATOM 484 C GLY A 180 -6.661 11.775 -11.687 1.00 10.72 C ATOM 485 O GLY A 180 -6.731 11.495 -10.493 1.00 12.99 O ATOM 486 H GLY A 180 -8.929 10.808 -10.910 1.00 0.00 H ATOM 487 N MET A 181 -5.571 12.269 -12.268 1.00 13.29 N ATOM 488 CA MET A 181 -4.324 12.462 -11.528 1.00 10.05 C ATOM 489 C MET A 181 -4.357 13.759 -10.724 1.00 12.09 C ATOM 490 O MET A 181 -4.851 14.787 -11.197 1.00 12.61 O ATOM 491 CB MET A 181 -3.136 12.485 -12.496 1.00 10.94 C ATOM 492 CG MET A 181 -3.028 11.259 -13.367 1.00 16.13 C ATOM 493 SD MET A 181 -2.975 9.774 -12.342 1.00 23.54 S ATOM 494 CE MET A 181 -1.437 10.026 -11.457 1.00 16.14 C ATOM 495 H MET A 181 -5.606 12.525 -13.275 1.00 0.00 H ATOM 496 N ILE A 182 -3.805 13.716 -9.512 1.00 11.63 N ATOM 497 CA ILE A 182 -3.737 14.896 -8.648 1.00 11.17 C ATOM 498 C ILE A 182 -2.312 15.077 -8.128 1.00 8.03 C ATOM 499 O ILE A 182 -1.610 14.081 -7.883 1.00 9.45 O ATOM 500 CB ILE A 182 -4.717 14.798 -7.463 1.00 8.56 C ATOM 501 CG1 ILE A 182 -4.382 13.584 -6.588 1.00 9.61 C ATOM 502 CG2 ILE A 182 -6.168 14.756 -7.949 1.00 10.02 C ATOM 503 CD1 ILE A 182 -5.015 13.649 -5.193 1.00 12.99 C ATOM 504 H ILE A 182 -3.410 12.817 -9.169 1.00 0.00 H ATOM 505 N PRO A 183 -1.859 16.313 -7.928 1.00 10.06 N ATOM 506 CA PRO A 183 -0.509 16.558 -7.406 1.00 11.21 C ATOM 507 C PRO A 183 -0.476 16.377 -5.884 1.00 10.67 C ATOM 508 O PRO A 183 -1.173 17.069 -5.143 1.00 11.06 O ATOM 509 CB PRO A 183 -0.224 18.006 -7.812 1.00 9.06 C ATOM 510 CG PRO A 183 -1.586 18.655 -7.855 1.00 9.25 C ATOM 511 CD PRO A 183 -2.543 17.568 -8.310 1.00 8.94 C ATOM 512 N VAL A 184 0.341 15.419 -5.451 1.00 8.20 N ATOM 513 CA VAL A 184 0.415 15.090 -4.022 1.00 9.80 C ATOM 514 C VAL A 184 0.792 16.300 -3.160 1.00 8.76 C ATOM 515 O VAL A 184 0.268 16.407 -2.044 1.00 10.11 O ATOM 516 CB VAL A 184 1.325 13.889 -3.807 1.00 12.89 C ATOM 517 CG1 VAL A 184 1.427 13.530 -2.329 1.00 12.41 C ATOM 518 CG2 VAL A 184 0.792 12.687 -4.600 1.00 12.30 C ATOM 519 H VAL A 184 0.932 14.899 -6.131 1.00 0.00 H ATOM 520 N PRO A 185 1.681 17.209 -3.580 1.00 9.34 N ATOM 521 CA PRO A 185 1.998 18.352 -2.696 1.00 11.50 C ATOM 522 C PRO A 185 0.821 19.285 -2.425 1.00 9.49 C ATOM 523 O PRO A 185 0.913 20.099 -1.490 1.00 11.81 O ATOM 524 CB PRO A 185 3.121 19.081 -3.450 1.00 10.88 C ATOM 525 CG PRO A 185 3.775 18.007 -4.259 1.00 12.24 C ATOM 526 CD PRO A 185 2.643 17.128 -4.699 1.00 9.89 C ATOM 527 N TYR A 186 -0.267 19.202 -3.197 1.00 8.59 N ATOM 528 CA TYR A 186 -1.437 20.048 -2.988 1.00 9.20 C ATOM 529 C TYR A 186 -2.444 19.469 -1.993 1.00 10.87 C ATOM 530 O TYR A 186 -3.483 20.100 -1.759 1.00 12.49 O ATOM 531 CB TYR A 186 -2.169 20.291 -4.313 1.00 9.66 C ATOM 532 CG TYR A 186 -1.609 21.373 -5.222 1.00 12.19 C ATOM 533 CD1 TYR A 186 -0.263 21.730 -5.198 1.00 9.89 C ATOM 534 CD2 TYR A 186 -2.450 22.042 -6.115 1.00 9.81 C ATOM 535 CE1 TYR A 186 0.231 22.728 -6.060 1.00 12.87 C ATOM 536 CE2 TYR A 186 -1.975 23.018 -6.963 1.00 16.16 C ATOM 537 CZ TYR A 186 -0.641 23.361 -6.941 1.00 15.60 C ATOM 538 OH TYR A 186 -0.196 24.344 -7.802 1.00 15.47 O ATOM 539 HH TYR A 186 0.776 24.480 -7.672 1.00 0.00 H ATOM 540 H TYR A 186 -0.280 18.510 -3.974 1.00 0.00 H ATOM 541 N VAL A 187 -2.200 18.284 -1.430 1.00 12.49 N ATOM 542 CA VAL A 187 -3.179 17.620 -0.573 1.00 11.81 C ATOM 543 C VAL A 187 -2.537 17.196 0.747 1.00 12.22 C ATOM 544 O VAL A 187 -1.313 17.188 0.906 1.00 12.80 O ATOM 545 CB VAL A 187 -3.837 16.398 -1.261 1.00 9.36 C ATOM 546 CG1 VAL A 187 -4.465 16.792 -2.591 1.00 12.20 C ATOM 547 CG2 VAL A 187 -2.831 15.258 -1.429 1.00 11.03 C ATOM 548 H VAL A 187 -1.286 17.820 -1.607 1.00 0.00 H ATOM 549 N GLU A 188 -3.401 16.827 1.695 1.00 9.48 N ATOM 550 CA GLU A 188 -3.024 16.441 3.052 1.00 12.20 C ATOM 551 C GLU A 188 -3.837 15.222 3.462 1.00 11.66 C ATOM 552 O GLU A 188 -5.007 15.111 3.093 1.00 11.52 O ATOM 553 CB GLU A 188 -3.292 17.592 4.039 1.00 23.51 C ATOM 554 CG GLU A 188 -2.590 17.461 5.375 1.00 44.36 C ATOM 555 CD GLU A 188 -1.182 18.003 5.328 1.00 67.40 C ATOM 556 OE1 GLU A 188 -1.013 19.228 5.519 1.00 71.44 O ATOM 557 OE2 GLU A 188 -0.249 17.208 5.081 1.00 78.68 O ATOM 558 H GLU A 188 -4.412 16.813 1.451 1.00 0.00 H ATOM 559 N LYS A 189 -3.223 14.322 4.230 1.00 11.75 N ATOM 560 CA LYS A 189 -3.955 13.196 4.794 1.00 14.23 C ATOM 561 C LYS A 189 -5.178 13.691 5.565 1.00 15.98 C ATOM 562 O LYS A 189 -5.128 14.716 6.251 1.00 15.29 O ATOM 563 CB LYS A 189 -3.024 12.393 5.705 1.00 27.54 C ATOM 564 CG LYS A 189 -3.689 11.291 6.491 1.00 41.14 C ATOM 565 CD LYS A 189 -4.049 10.097 5.631 1.00 45.34 C ATOM 566 CE LYS A 189 -4.404 8.902 6.511 1.00 47.68 C ATOM 567 NZ LYS A 189 -5.131 7.843 5.756 1.00 46.72 N ATOM 568 HZ1 LYS A 189 -6.014 8.236 5.373 1.00 0.00 H ATOM 569 HZ2 LYS A 189 -4.534 7.504 4.975 1.00 0.00 H ATOM 570 HZ3 LYS A 189 -5.351 7.052 6.395 1.00 0.00 H ATOM 571 H LYS A 189 -2.207 14.425 4.429 1.00 0.00 H ATOM 572 N TYR A 190 -6.295 12.980 5.421 1.00 14.28 N ATOM 573 CA TYR A 190 -7.564 13.420 5.997 1.00 17.44 C ATOM 574 C TYR A 190 -8.183 12.264 6.766 1.00 11.29 C ATOM 575 O TYR A 190 -8.315 11.160 6.227 1.00 11.92 O ATOM 576 CB TYR A 190 -8.503 13.945 4.895 1.00 12.17 C ATOM 577 CG TYR A 190 -9.920 14.225 5.342 1.00 13.78 C ATOM 578 CD1 TYR A 190 -10.253 15.421 5.996 1.00 12.26 C ATOM 579 CD2 TYR A 190 -10.935 13.307 5.086 1.00 11.99 C ATOM 580 CE1 TYR A 190 -11.561 15.677 6.407 1.00 10.84 C ATOM 581 CE2 TYR A 190 -12.241 13.547 5.498 1.00 10.90 C ATOM 582 CZ TYR A 190 -12.547 14.731 6.147 1.00 10.15 C ATOM 583 OH TYR A 190 -13.845 14.971 6.532 1.00 11.54 O ATOM 584 HH TYR A 190 -13.898 15.853 6.979 1.00 0.00 H ATOM 585 H TYR A 190 -6.263 12.089 4.885 1.00 0.00 H ATOM 586 N ARG A 191 -8.548 12.515 8.028 1.00 12.51 N ATOM 587 CA ARG A 191 -9.013 11.456 8.924 1.00 16.80 C ATOM 588 C ARG A 191 -10.386 11.716 9.524 1.00 17.99 C ATOM 589 O ARG A 191 -11.038 10.789 10.014 1.00 14.95 O ATOM 590 CB ARG A 191 -8.025 11.261 10.070 1.00 17.24 C ATOM 591 CG ARG A 191 -6.636 10.879 9.632 1.00 21.79 C ATOM 592 CD ARG A 191 -5.756 10.689 10.850 1.00 27.88 C ATOM 593 NE ARG A 191 -4.420 10.240 10.482 1.00 33.76 N ATOM 594 CZ ARG A 191 -3.454 11.049 10.065 1.00 33.97 C ATOM 595 NH1 ARG A 191 -3.679 12.353 9.962 1.00 29.86 N ATOM 596 NH2 ARG A 191 -2.264 10.552 9.755 1.00 36.99 N ATOM 597 OXT ARG A 191 -10.842 12.858 9.554 1.00 15.99 O ATOM 598 HE ARG A 191 -4.210 9.224 10.550 1.00 0.00 H ATOM 599 HH12 ARG A 191 -2.922 12.987 9.635 1.00 0.00 H ATOM 600 HH11 ARG A 191 -4.612 12.741 10.208 1.00 0.00 H ATOM 601 HH22 ARG A 191 -1.506 11.184 9.428 1.00 0.00 H ATOM 602 HH21 ARG A 191 -2.089 9.530 9.839 1.00 0.00 H ATOM 603 H ARG A 191 -8.500 13.491 8.383 1.00 0.00 H TER 604 ARG A 191 HETATM 605 O HOH 1 -15.894 18.291 -14.961 1.00 43.15 O HETATM 606 O HOH 2 -4.746 25.883 -10.516 1.00 36.33 O HETATM 607 O HOH 3 -0.417 14.723 5.030 1.00 27.70 O HETATM 608 O HOH 4 -8.345 4.673 -13.180 1.00 42.62 O HETATM 609 O HOH 5 -16.826 5.503 -9.520 1.00 28.36 O HETATM 610 O HOH 6 -8.269 4.333 -1.030 1.00 25.84 O HETATM 611 O HOH 7 -2.867 24.554 -18.295 1.00 24.14 O HETATM 612 O HOH 8 -7.964 8.865 4.960 1.00 18.72 O HETATM 613 O HOH 9 -3.635 8.898 -17.880 1.00 39.68 O HETATM 614 O HOH 10 -12.547 17.023 -8.117 1.00 15.41 O HETATM 615 O HOH 11 -16.024 21.799 -4.468 1.00 34.88 O HETATM 616 O HOH 12 4.326 10.133 -2.121 1.00 21.95 O HETATM 617 O HOH 13 9.862 12.732 -7.010 1.00 26.73 O HETATM 618 O HOH 14 -13.423 17.519 -5.660 1.00 33.83 O HETATM 619 O HOH 15 -3.781 15.597 8.417 1.00 36.77 O HETATM 620 O HOH 16 -14.205 22.918 -1.593 1.00 35.42 O HETATM 621 O HOH 17 -8.519 7.527 -10.413 1.00 36.17 O HETATM 622 O HOH 18 4.634 15.207 -1.675 1.00 14.71 O HETATM 623 O HOH 19 -3.622 26.878 -6.466 1.00 22.71 O HETATM 624 O HOH 20 -11.331 27.779 -3.512 1.00 27.78 O HETATM 625 O HOH 21 6.364 11.667 -9.087 1.00 13.65 O HETATM 626 O HOH 22 -6.861 17.087 6.538 1.00 17.39 O HETATM 627 O HOH 23 -18.765 16.779 -2.225 1.00 22.84 O HETATM 628 O HOH 24 2.792 19.506 0.436 1.00 15.51 O HETATM 629 O HOH 25 11.930 11.495 -2.812 1.00 22.29 O HETATM 630 O HOH 26 -2.086 26.247 -8.449 1.00 41.85 O HETATM 631 O HOH 27 -0.802 19.364 -14.414 1.00 17.96 O HETATM 632 O HOH 28 -14.349 19.612 -7.344 1.00 36.12 O HETATM 633 O HOH 29 -8.460 14.937 9.413 1.00 20.49 O HETATM 634 O HOH 30 -5.434 14.500 10.325 1.00 36.66 O HETATM 635 O HOH 31 -8.899 16.983 -17.063 1.00 30.12 O HETATM 636 O HOH 32 -7.295 10.561 -15.983 1.00 22.62 O HETATM 637 O HOH 33 -14.983 15.316 -3.745 1.00 16.66 O HETATM 638 O HOH 34 -9.683 6.541 5.791 1.00 38.95 O HETATM 639 O HOH 35 -4.667 27.587 0.464 1.00 31.65 O HETATM 640 O HOH 36 -8.377 9.263 -21.090 1.00 52.64 O HETATM 641 O HOH 37 7.702 7.667 -8.293 1.00 36.43 O HETATM 642 O HOH 38 -13.115 26.060 -2.004 1.00 31.12 O HETATM 643 O HOH 39 -3.123 13.771 -20.053 1.00 19.52 O HETATM 644 O HOH 40 -3.920 25.566 2.636 1.00 31.76 O HETATM 645 O HOH 41 -13.359 10.783 -14.885 1.00 26.73 O HETATM 646 O HOH 42 2.092 7.080 0.287 1.00 26.58 O HETATM 647 O HOH 43 -10.500 23.528 -14.516 1.00 35.53 O HETATM 648 O HOH 44 -13.279 18.176 -11.432 1.00 30.50 O HETATM 649 O HOH 45 -0.335 3.503 0.510 1.00 34.95 O HETATM 650 O HOH 46 -12.006 0.791 -9.998 1.00 34.64 O HETATM 651 O HOH 47 -7.281 19.121 -16.886 1.00 31.26 O HETATM 652 O HOH 48 -10.433 23.827 -9.913 1.00 39.22 O HETATM 653 O HOH 49 -1.173 2.016 -5.724 1.00 28.14 O HETATM 654 O HOH 50 -2.858 16.854 -22.013 1.00 26.24 O HETATM 655 O HOH 51 -22.360 12.898 -6.848 1.00 37.29 O HETATM 656 O HOH 52 8.540 7.585 -2.379 1.00 29.03 O HETATM 657 O HOH 53 -15.516 17.310 -0.334 1.00 14.56 O HETATM 658 O HOH 54 -10.796 13.577 -19.875 1.00 30.37 O HETATM 659 O HOH 55 -15.695 21.014 -0.513 1.00 32.17 O HETATM 660 O HOH 56 -6.290 2.227 3.366 1.00 51.94 O HETATM 661 O HOH 57 -5.207 28.026 -8.947 1.00 49.90 O HETATM 662 O HOH 58 3.638 7.245 -3.621 1.00 30.64 O HETATM 663 O HOH 59 -10.031 4.759 -14.136 1.00 25.64 O HETATM 664 O HOH 60 -4.632 23.387 6.556 1.00 43.43 O HETATM 665 O HOH 61 -9.059 0.743 -1.162 1.00 40.07 O HETATM 666 O HOH 62 -2.180 6.393 -14.311 1.00 47.66 O HETATM 667 O HOH 63 -16.120 17.839 -3.180 1.00 32.81 O HETATM 668 O HOH 64 -5.958 24.605 3.768 1.00 45.22 O HETATM 669 O HOH 65 8.382 9.714 -8.884 1.00 30.79 O HETATM 670 O HOH 66 1.380 14.940 0.903 1.00 43.98 O HETATM 671 O HOH 67 -20.995 9.914 -3.649 1.00 32.87 O HETATM 672 O HOH 68 1.672 18.460 -15.290 1.00 16.22 O HETATM 673 O HOH 69 -0.512 11.129 2.377 1.00 30.22 O HETATM 674 O HOH 70 0.477 13.403 -19.306 1.00 44.87 O HETATM 675 O HOH 71 -8.600 29.156 -2.647 1.00 45.67 O HETATM 676 O HOH 72 -4.728 3.913 -1.283 1.00 40.84 O HETATM 677 O HOH 73 -2.814 6.925 10.530 1.00 27.71 O HETATM 678 O HOH 74 -10.605 19.190 7.752 1.00 17.10 O HETATM 679 O HOH 75 -13.118 21.780 -9.556 1.00 39.62 O HETATM 680 O HOH 76 -8.511 17.560 8.620 1.00 14.66 O HETATM 681 O HOH 77 -3.365 3.112 -3.222 1.00 35.06 O HETATM 682 O HOH 78 -12.158 5.772 5.239 1.00 32.22 O HETATM 683 O HOH 79 -7.187 22.994 -18.954 1.00 47.94 O HETATM 684 O HOH 80 -0.138 13.040 1.882 1.00 35.10 O HETATM 685 O HOH 81 2.445 14.327 6.263 1.00 49.14 O HETATM 686 O HOH 82 1.472 11.233 -19.299 1.00 38.92 O HETATM 687 O HOH 83 -10.380 21.091 -17.289 1.00 47.33 O HETATM 688 O HOH 84 2.222 3.128 -0.697 1.00 53.52 O HETATM 689 O HOH 85 -3.652 24.677 4.500 1.00 42.81 O HETATM 690 O HOH 86 -15.590 24.728 -3.569 1.00 40.78 O HETATM 691 O HOH 87 -11.234 18.604 -16.288 1.00 44.29 O HETATM 692 O HOH 88 -4.664 28.906 -1.990 1.00 49.47 O HETATM 693 O HOH 89 0.848 2.064 -2.962 1.00 45.51 O HETATM 694 O HOH 90 1.914 10.089 2.083 1.00 37.34 O HETATM 695 O HOH 91 12.913 2.971 -15.866 1.00 52.08 O HETATM 696 O HOH 92 8.026 15.503 -16.526 1.00 22.12 O HETATM 697 O HOH 93 6.486 23.367 -10.967 1.00 14.03 O HETATM 698 O HOH 94 3.854 10.759 -15.134 1.00 25.80 O HETATM 699 O HOH 95 7.491 14.302 -9.470 1.00 14.44 O HETATM 700 O HOH 96 2.049 25.698 -7.288 1.00 14.89 O HETATM 701 O HOH 97 -2.227 29.346 -2.723 1.00 29.34 O HETATM 702 O HOH 98 -0.162 26.990 2.827 1.00 21.79 O HETATM 703 O HOH 99 -0.432 32.352 -7.207 1.00 48.72 O HETATM 704 O HOH 100 7.465 31.283 5.584 1.00 47.36 O HETATM 705 O HOH 101 12.346 12.283 -8.285 1.00 38.80 O HETATM 706 O HOH 102 3.964 18.951 -14.155 1.00 17.98 O HETATM 707 O HOH 103 7.486 5.667 -10.104 1.00 42.02 O HETATM 708 O HOH 104 1.081 30.210 3.848 1.00 26.81 O HETATM 709 O HOH 105 11.037 9.303 -14.974 1.00 33.21 O HETATM 710 O HOH 106 1.012 27.737 6.245 1.00 36.89 O HETATM 711 O HOH 107 5.855 17.280 -16.180 1.00 17.83 O HETATM 712 O HOH 108 4.343 30.397 -1.889 1.00 31.45 O HETATM 713 O HOH 109 12.736 15.505 -10.456 1.00 44.29 O HETATM 714 O HOH 110 2.663 10.384 -17.344 1.00 40.58 O HETATM 715 O HOH 111 2.923 30.705 -4.167 1.00 41.02 O HETATM 716 O HOH 112 -0.946 30.276 -0.137 1.00 45.52 O HETATM 717 O HOH 113 10.950 15.362 -15.187 1.00 30.31 O HETATM 718 O HOH 114 -2.588 33.322 -7.029 1.00 47.53 O HETATM 719 C ACE A 115 4.543 29.157 5.322 1.00 0.18 C HETATM 720 O ACE A 115 5.584 29.353 4.700 1.00 -0.40 O HETATM 721 CH3 ACE A 115 4.055 30.086 6.391 1.00 0.03 C HETATM 722 H1 ACE A 115 3.108 29.706 6.803 1.00 0.05 H HETATM 723 H2 ACE A 115 3.893 31.086 5.962 1.00 0.05 H HETATM 724 H3 ACE A 115 4.805 30.148 7.193 1.00 0.05 H HETATM 725 N ACE A 115 3.762 28.111 5.095 1.00 -0.26 N HETATM 726 CA ACE A 115 4.112 27.115 4.090 1.00 0.14 C HETATM 727 C ACE A 115 4.001 27.625 2.656 1.00 0.21 C HETATM 728 O ACE A 115 4.711 27.141 1.773 1.00 -0.39 O HETATM 729 N ACE A 115 3.111 28.594 2.426 1.00 -0.27 N HETATM 730 CA ACE A 115 2.879 29.065 1.068 1.00 0.12 C HETATM 731 C ACE A 115 2.241 27.975 0.217 1.00 0.20 C HETATM 732 O ACE A 115 1.564 27.075 0.723 1.00 -0.39 O HETATM 733 N ACE A 115 2.466 28.053 -1.097 1.00 -0.26 N HETATM 734 CA ACE A 115 2.027 27.007 -2.023 1.00 0.13 C HETATM 735 C ACE A 115 3.238 26.394 -2.710 1.00 0.21 C HETATM 736 O ACE A 115 4.017 27.120 -3.354 1.00 -0.39 O HETATM 737 N ACE A 115 3.428 25.083 -2.620 1.00 -0.25 N HETATM 738 CA ACE A 115 4.586 24.445 -3.243 1.00 0.13 C HETATM 739 C ACE A 115 4.441 24.427 -4.754 1.00 0.21 C HETATM 740 O ACE A 115 3.317 24.477 -5.280 1.00 -0.39 O HETATM 741 N ACE A 115 5.552 24.338 -5.485 1.00 -0.25 N HETATM 742 CA ACE A 115 5.461 24.241 -6.947 1.00 0.13 C HETATM 743 C ACE A 115 4.741 22.967 -7.360 1.00 0.20 C HETATM 744 O ACE A 115 4.773 21.953 -6.660 1.00 -0.39 O HETATM 745 N ACE A 115 4.115 23.021 -8.528 1.00 -0.26 N HETATM 746 CA ACE A 115 3.456 21.841 -9.074 1.00 0.13 C HETATM 747 C ACE A 115 4.514 20.812 -9.451 1.00 0.21 C HETATM 748 O ACE A 115 5.506 21.172 -10.097 1.00 -0.39 O HETATM 749 N ACE A 115 4.344 19.537 -9.098 1.00 -0.25 N HETATM 750 CA ACE A 115 5.414 18.559 -9.321 1.00 0.13 C HETATM 751 C ACE A 115 5.515 18.141 -10.777 1.00 0.21 C HETATM 752 O ACE A 115 4.501 18.085 -11.489 1.00 -0.39 O HETATM 753 N ACE A 115 6.719 17.786 -11.224 1.00 -0.25 N HETATM 754 CA ACE A 115 6.872 17.172 -12.545 1.00 0.13 C HETATM 755 C ACE A 115 6.233 15.794 -12.578 1.00 0.20 C HETATM 756 O ACE A 115 6.093 15.115 -11.559 1.00 -0.39 O HETATM 757 N ACE A 115 5.839 15.376 -13.777 1.00 -0.26 N HETATM 758 CA ACE A 115 5.333 14.025 -13.974 1.00 0.13 C HETATM 759 C ACE A 115 6.476 13.110 -14.399 1.00 0.20 C HETATM 760 O ACE A 115 7.251 13.455 -15.298 1.00 -0.39 O HETATM 761 N ACE A 115 6.585 11.953 -13.751 1.00 -0.26 N HETATM 762 CA ACE A 115 7.692 11.029 -13.981 1.00 0.13 C HETATM 763 C ACE A 115 7.176 9.652 -14.406 1.00 0.20 C HETATM 764 O ACE A 115 5.969 9.404 -14.481 1.00 -0.39 O HETATM 765 N ACE A 115 8.119 8.754 -14.703 1.00 -0.26 N HETATM 766 CA ACE A 115 7.778 7.390 -15.097 1.00 0.13 C HETATM 767 C ACE A 115 6.968 6.696 -14.006 1.00 0.20 C HETATM 768 O ACE A 115 7.278 6.795 -12.815 1.00 -0.39 O HETATM 769 N ACE A 115 5.925 5.986 -14.418 1.00 -0.26 N HETATM 770 CA ACE A 115 4.972 5.414 -13.479 1.00 0.13 C HETATM 771 C ACE A 115 5.178 3.912 -13.300 1.00 0.20 C HETATM 772 O ACE A 115 5.807 3.233 -14.117 1.00 -0.39 O HETATM 773 N ACE A 115 4.646 3.407 -12.192 1.00 -0.26 N HETATM 774 CA ACE A 115 4.694 1.984 -11.900 1.00 0.13 C HETATM 775 C ACE A 115 3.583 1.267 -12.652 1.00 0.20 C HETATM 776 O ACE A 115 2.431 1.706 -12.641 1.00 -0.39 O HETATM 777 N ACE A 115 3.936 0.168 -13.309 1.00 -0.30 N HETATM 778 H128 ACE A 115 3.251 -0.349 -13.823 1.00 0.18 H HETATM 779 H129 ACE A 115 4.886 -0.143 -13.290 1.00 0.18 H HETATM 780 CB ACE A 115 4.572 1.734 -10.397 1.00 -0.01 C HETATM 781 CG ACE A 115 5.848 1.218 -9.759 1.00 -0.04 C HETATM 782 CD ACE A 115 6.277 -0.098 -10.393 1.00 -0.01 C HETATM 783 CE ACE A 115 7.625 -0.562 -9.867 1.00 -0.04 C HETATM 784 NZ ACE A 115 7.606 -0.754 -8.393 1.00 0.22 N HETATM 785 H125 ACE A 115 8.514 -1.061 -8.082 1.00 0.20 H HETATM 786 H126 ACE A 115 6.917 -1.449 -8.154 1.00 0.20 H HETATM 787 H127 ACE A 115 7.374 0.118 -7.944 1.00 0.20 H HETATM 788 H123 ACE A 115 8.384 0.193 -10.118 1.00 0.08 H HETATM 789 H124 ACE A 115 7.885 -1.517 -10.347 1.00 0.08 H HETATM 790 H121 ACE A 115 6.347 0.037 -11.482 1.00 0.03 H HETATM 791 H122 ACE A 115 5.522 -0.866 -10.166 1.00 0.03 H HETATM 792 H119 ACE A 115 5.676 1.061 -8.684 1.00 0.03 H HETATM 793 H120 ACE A 115 6.646 1.962 -9.897 1.00 0.03 H HETATM 794 H117 ACE A 115 3.777 0.992 -10.232 1.00 0.03 H HETATM 795 H118 ACE A 115 4.298 2.681 -9.909 1.00 0.03 H HETATM 796 H116 ACE A 115 5.662 1.588 -12.241 1.00 0.08 H HETATM 797 H115 ACE A 115 4.201 4.022 -11.542 1.00 0.19 H HETATM 798 CB ACE A 115 3.539 5.711 -13.931 1.00 -0.01 C HETATM 799 CG ACE A 115 3.139 7.141 -13.604 1.00 -0.02 C HETATM 800 CD ACE A 115 1.817 7.575 -14.210 1.00 0.06 C HETATM 801 NE ACE A 115 1.558 8.978 -13.880 1.00 -0.27 N HETATM 802 CZ ACE A 115 0.580 9.708 -14.410 1.00 0.29 C HETATM 803 NH1 ACE A 115 0.426 10.978 -14.049 1.00 -0.28 N HETATM 804 H111 ACE A 115 -0.332 11.542 -14.460 1.00 0.26 H HETATM 805 H112 ACE A 115 1.064 11.398 -13.358 1.00 0.26 H HETATM 806 NH2 ACE A 115 -0.242 9.168 -15.303 1.00 -0.28 N HETATM 807 H113 ACE A 115 -0.123 8.184 -15.583 1.00 0.26 H HETATM 808 H114 ACE A 115 -0.998 9.733 -15.715 1.00 0.26 H HETATM 809 H110 ACE A 115 2.175 9.431 -13.191 1.00 0.26 H HETATM 810 H108 ACE A 115 1.007 6.949 -13.807 1.00 0.07 H HETATM 811 H109 ACE A 115 1.860 7.459 -15.303 1.00 0.07 H HETATM 812 H106 ACE A 115 3.926 7.813 -13.978 1.00 0.03 H HETATM 813 H107 ACE A 115 3.064 7.236 -12.511 1.00 0.03 H HETATM 814 H104 ACE A 115 2.852 5.021 -13.419 1.00 0.03 H HETATM 815 H105 ACE A 115 3.468 5.559 -15.018 1.00 0.03 H HETATM 816 H103 ACE A 115 5.130 5.894 -12.502 1.00 0.08 H HETATM 817 H102 ACE A 115 5.791 5.841 -15.398 1.00 0.19 H HETATM 818 CB ACE A 115 9.051 6.591 -15.393 1.00 -0.01 C HETATM 819 CG ACE A 115 8.800 5.196 -15.922 1.00 -0.04 C HETATM 820 CD ACE A 115 10.104 4.432 -16.110 1.00 -0.01 C HETATM 821 CE ACE A 115 9.855 3.029 -16.653 1.00 -0.04 C HETATM 822 NZ ACE A 115 11.103 2.213 -16.710 1.00 0.22 N HETATM 823 H99 ACE A 115 10.889 1.298 -17.074 1.00 0.20 H HETATM 824 H100 ACE A 115 11.489 2.124 -15.783 1.00 0.20 H HETATM 825 H101 ACE A 115 11.773 2.666 -17.312 1.00 0.20 H HETATM 826 H97 ACE A 115 9.440 3.111 -17.668 1.00 0.08 H HETATM 827 H98 ACE A 115 9.130 2.521 -16.000 1.00 0.08 H HETATM 828 H95 ACE A 115 10.616 4.354 -15.140 1.00 0.03 H HETATM 829 H96 ACE A 115 10.742 4.982 -16.818 1.00 0.03 H HETATM 830 H93 ACE A 115 8.284 5.268 -16.891 1.00 0.03 H HETATM 831 H94 ACE A 115 8.165 4.651 -15.208 1.00 0.03 H HETATM 832 H91 ACE A 115 9.630 6.507 -14.461 1.00 0.03 H HETATM 833 H92 ACE A 115 9.638 7.143 -16.142 1.00 0.03 H HETATM 834 H90 ACE A 115 7.168 7.433 -16.012 1.00 0.08 H HETATM 835 H89 ACE A 115 9.081 9.022 -14.654 1.00 0.19 H HETATM 836 CB ACE A 115 8.567 10.930 -12.729 1.00 0.00 C HETATM 837 CG ACE A 115 8.884 12.286 -12.124 1.00 0.04 C HETATM 838 CD ACE A 115 10.238 12.335 -11.455 1.00 0.17 C HETATM 839 OE1 ACE A 115 10.348 12.670 -10.275 1.00 -0.40 O HETATM 840 NE2 ACE A 115 11.283 12.006 -12.208 1.00 -0.30 N HETATM 841 H87 ACE A 115 12.204 12.020 -11.819 1.00 0.18 H HETATM 842 H88 ACE A 115 11.148 11.744 -13.164 1.00 0.18 H HETATM 843 H85 ACE A 115 8.115 12.524 -11.375 1.00 0.05 H HETATM 844 H86 ACE A 115 8.862 13.040 -12.924 1.00 0.05 H HETATM 845 H83 ACE A 115 9.512 10.436 -12.999 1.00 0.03 H HETATM 846 H84 ACE A 115 8.038 10.325 -11.978 1.00 0.03 H HETATM 847 H82 ACE A 115 8.309 11.429 -14.800 1.00 0.08 H HETATM 848 H81 ACE A 115 5.883 11.707 -13.082 1.00 0.19 H HETATM 849 CB ACE A 115 4.209 14.022 -15.011 1.00 -0.01 C HETATM 850 CG ACE A 115 2.977 14.718 -14.484 1.00 -0.04 C HETATM 851 CD ACE A 115 1.807 14.666 -15.445 1.00 -0.01 C HETATM 852 CE ACE A 115 0.539 15.151 -14.741 1.00 -0.04 C HETATM 853 NZ ACE A 115 -0.630 15.091 -15.655 1.00 0.22 N HETATM 854 H78 ACE A 115 -1.452 15.415 -15.170 1.00 0.20 H HETATM 855 H79 ACE A 115 -0.771 14.140 -15.958 1.00 0.20 H HETATM 856 H80 ACE A 115 -0.460 15.678 -16.457 1.00 0.20 H HETATM 857 H76 ACE A 115 0.685 16.190 -14.411 1.00 0.08 H HETATM 858 H77 ACE A 115 0.346 14.512 -13.867 1.00 0.08 H HETATM 859 H74 ACE A 115 1.661 13.631 -15.788 1.00 0.03 H HETATM 860 H75 ACE A 115 2.015 15.313 -16.310 1.00 0.03 H HETATM 861 H72 ACE A 115 3.226 15.772 -14.292 1.00 0.03 H HETATM 862 H73 ACE A 115 2.678 14.235 -13.542 1.00 0.03 H HETATM 863 H70 ACE A 115 3.954 12.982 -15.261 1.00 0.03 H HETATM 864 H71 ACE A 115 4.555 14.542 -15.916 1.00 0.03 H HETATM 865 H69 ACE A 115 4.926 13.658 -13.020 1.00 0.08 H HETATM 866 H68 ACE A 115 5.891 16.000 -14.557 1.00 0.19 H HETATM 867 CB ACE A 115 8.393 17.082 -12.718 1.00 -0.01 C HETATM 868 CG ACE A 115 8.918 16.999 -11.320 1.00 -0.03 C HETATM 869 CD ACE A 115 7.994 17.847 -10.489 1.00 0.04 C HETATM 870 H66 ACE A 115 7.884 17.433 -9.476 1.00 0.05 H HETATM 871 H67 ACE A 115 8.362 18.882 -10.424 1.00 0.05 H HETATM 872 H64 ACE A 115 9.945 17.390 -11.272 1.00 0.03 H HETATM 873 H65 ACE A 115 8.905 15.957 -10.966 1.00 0.03 H HETATM 874 H62 ACE A 115 8.781 17.976 -13.228 1.00 0.03 H HETATM 875 H63 ACE A 115 8.668 16.184 -13.292 1.00 0.03 H HETATM 876 H61 ACE A 115 6.424 17.802 -13.327 1.00 0.08 H HETATM 877 CB ACE A 115 4.994 17.370 -8.449 1.00 -0.01 C HETATM 878 CG ACE A 115 3.526 17.463 -8.371 1.00 -0.03 C HETATM 879 CD ACE A 115 3.229 18.951 -8.328 1.00 0.04 C HETATM 880 H59 ACE A 115 2.262 19.174 -8.802 1.00 0.05 H HETATM 881 H60 ACE A 115 3.225 19.323 -7.293 1.00 0.05 H HETATM 882 H57 ACE A 115 3.155 16.968 -7.461 1.00 0.03 H HETATM 883 H58 ACE A 115 3.062 17.001 -9.255 1.00 0.03 H HETATM 884 H55 ACE A 115 5.441 17.447 -7.447 1.00 0.03 H HETATM 885 H56 ACE A 115 5.298 16.421 -8.915 1.00 0.03 H HETATM 886 H54 ACE A 115 6.383 18.964 -8.993 1.00 0.08 H HETATM 887 CB ACE A 115 2.629 22.232 -10.294 1.00 -0.01 C HETATM 888 CG ACE A 115 1.694 21.196 -10.913 1.00 -0.04 C HETATM 889 CD1 ACE A 115 0.483 20.979 -9.988 1.00 -0.06 C HETATM 890 H48 ACE A 115 -0.190 20.233 -10.434 1.00 0.02 H HETATM 891 H49 ACE A 115 -0.056 21.929 -9.861 1.00 0.02 H HETATM 892 H50 ACE A 115 0.830 20.620 -9.008 1.00 0.02 H HETATM 893 CD2 ACE A 115 1.264 21.667 -12.289 1.00 -0.06 C HETATM 894 H51 ACE A 115 2.152 21.811 -12.921 1.00 0.02 H HETATM 895 H52 ACE A 115 0.721 22.619 -12.197 1.00 0.02 H HETATM 896 H53 ACE A 115 0.607 20.912 -12.746 1.00 0.02 H HETATM 897 H47 ACE A 115 2.232 20.242 -11.018 1.00 0.03 H HETATM 898 H45 ACE A 115 3.336 22.539 -11.079 1.00 0.03 H HETATM 899 H46 ACE A 115 2.009 23.093 -10.002 1.00 0.03 H HETATM 900 H44 ACE A 115 2.789 21.411 -8.312 1.00 0.08 H HETATM 901 H43 ACE A 115 4.095 23.880 -9.039 1.00 0.19 H HETATM 902 CB ACE A 115 6.930 24.218 -7.400 1.00 -0.01 C HETATM 903 CG ACE A 115 7.714 24.807 -6.251 1.00 -0.03 C HETATM 904 CD ACE A 115 6.942 24.442 -5.006 1.00 0.04 C HETATM 905 H41 ACE A 115 7.289 23.483 -4.594 1.00 0.05 H HETATM 906 H42 ACE A 115 7.037 25.226 -4.240 1.00 0.05 H HETATM 907 H39 ACE A 115 7.784 25.900 -6.353 1.00 0.03 H HETATM 908 H40 ACE A 115 8.726 24.377 -6.216 1.00 0.03 H HETATM 909 H37 ACE A 115 7.062 24.825 -8.307 1.00 0.03 H HETATM 910 H38 ACE A 115 7.255 23.186 -7.599 1.00 0.03 H HETATM 911 H36 ACE A 115 4.935 25.111 -7.367 1.00 0.08 H HETATM 912 CB ACE A 115 4.549 23.022 -2.667 1.00 -0.01 C HETATM 913 CG ACE A 115 3.090 22.778 -2.452 1.00 -0.03 C HETATM 914 CD ACE A 115 2.536 24.103 -1.973 1.00 0.04 C HETATM 915 H34 ACE A 115 1.495 24.239 -2.300 1.00 0.05 H HETATM 916 H35 ACE A 115 2.589 24.182 -0.877 1.00 0.05 H HETATM 917 H32 ACE A 115 2.937 21.998 -1.692 1.00 0.03 H HETATM 918 H33 ACE A 115 2.606 22.474 -3.392 1.00 0.03 H HETATM 919 H30 ACE A 115 5.102 22.966 -1.718 1.00 0.03 H HETATM 920 H31 ACE A 115 4.969 22.297 -3.380 1.00 0.03 H HETATM 921 H29 ACE A 115 5.519 24.959 -2.968 1.00 0.08 H HETATM 922 CB ACE A 115 1.039 27.524 -3.075 1.00 -0.01 C HETATM 923 CG ACE A 115 0.530 26.388 -3.975 1.00 -0.02 C HETATM 924 CD ACE A 115 -0.612 26.789 -4.880 1.00 0.06 C HETATM 925 NE ACE A 115 -0.167 27.596 -6.009 1.00 -0.27 N HETATM 926 CZ ACE A 115 -0.306 28.913 -6.072 1.00 0.29 C HETATM 927 NH1 ACE A 115 -0.890 29.561 -5.073 1.00 -0.28 N HETATM 928 H25 ACE A 115 -1.000 30.584 -5.117 1.00 0.26 H HETATM 929 H26 ACE A 115 -1.233 29.041 -4.253 1.00 0.26 H HETATM 930 NH2 ACE A 115 0.127 29.585 -7.133 1.00 -0.28 N HETATM 931 H27 ACE A 115 0.581 29.084 -7.910 1.00 0.26 H HETATM 932 H28 ACE A 115 0.009 30.607 -7.179 1.00 0.26 H HETATM 933 H24 ACE A 115 0.281 27.116 -6.803 1.00 0.26 H HETATM 934 H22 ACE A 115 -1.339 27.370 -4.295 1.00 0.07 H HETATM 935 H23 ACE A 115 -1.095 25.879 -5.265 1.00 0.07 H HETATM 936 H20 ACE A 115 0.189 25.563 -3.332 1.00 0.03 H HETATM 937 H21 ACE A 115 1.365 26.043 -4.603 1.00 0.03 H HETATM 938 H18 ACE A 115 1.543 28.276 -3.700 1.00 0.03 H HETATM 939 H19 ACE A 115 0.182 27.986 -2.564 1.00 0.03 H HETATM 940 H17 ACE A 115 1.522 26.224 -1.438 1.00 0.08 H HETATM 941 H16 ACE A 115 2.949 28.850 -1.460 1.00 0.19 H HETATM 942 H14 ACE A 115 3.840 29.357 0.619 1.00 0.08 H HETATM 943 H15 ACE A 115 2.209 29.937 1.099 1.00 0.08 H HETATM 944 H13 ACE A 115 2.603 28.997 3.188 1.00 0.19 H HETATM 945 CB ACE A 115 3.234 25.873 4.261 1.00 0.02 C HETATM 946 CG ACE A 115 3.612 24.712 3.363 1.00 -0.05 C HETATM 947 CD1 ACE A 115 4.855 24.094 3.472 1.00 -0.07 C HETATM 948 CE1 ACE A 115 5.203 23.021 2.653 1.00 -0.04 C HETATM 949 CZ ACE A 115 4.299 22.558 1.726 1.00 0.08 C HETATM 950 CE2 ACE A 115 3.057 23.155 1.605 1.00 -0.04 C HETATM 951 CD2 ACE A 115 2.722 24.224 2.423 1.00 -0.07 C HETATM 952 H9 ACE A 115 1.746 24.685 2.324 1.00 0.05 H HETATM 953 H11 ACE A 115 2.347 22.788 0.873 1.00 0.05 H HETATM 954 OH ACE A 115 4.647 21.499 0.911 1.00 -0.34 O HETATM 955 H12 ACE A 115 4.037 20.783 1.046 1.00 0.25 H HETATM 956 H10 ACE A 115 6.178 22.556 2.746 1.00 0.05 H HETATM 957 H8 ACE A 115 5.565 24.454 4.207 1.00 0.05 H HETATM 958 H6 ACE A 115 2.193 26.154 4.041 1.00 0.05 H HETATM 959 H7 ACE A 115 3.310 25.539 5.306 1.00 0.05 H HETATM 960 H5 ACE A 115 5.160 26.826 4.260 1.00 0.08 H HETATM 961 H4 ACE A 115 2.919 28.003 5.622 1.00 0.19 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 719 720 721 725 CONECT 720 719 CONECT 721 719 722 723 724 CONECT 722 721 CONECT 723 721 CONECT 724 721 CONECT 725 719 726 961 CONECT 726 725 727 945 960 CONECT 727 726 728 729 CONECT 728 727 CONECT 729 727 730 944 CONECT 730 729 731 942 943 CONECT 731 730 732 733 CONECT 732 731 CONECT 733 731 734 941 CONECT 734 733 735 922 940 CONECT 735 734 736 737 CONECT 736 735 CONECT 737 735 738 914 CONECT 738 737 739 912 921 CONECT 739 738 740 741 CONECT 740 739 CONECT 741 739 742 904 CONECT 742 741 743 902 911 CONECT 743 742 744 745 CONECT 744 743 CONECT 745 743 746 901 CONECT 746 745 747 887 900 CONECT 747 746 748 749 CONECT 748 747 CONECT 749 747 750 879 CONECT 750 749 751 877 886 CONECT 751 750 752 753 CONECT 752 751 CONECT 753 751 754 869 CONECT 754 753 755 867 876 CONECT 755 754 756 757 CONECT 756 755 CONECT 757 755 758 866 CONECT 758 757 759 849 865 CONECT 759 758 760 761 CONECT 760 759 CONECT 761 759 762 848 CONECT 762 761 763 836 847 CONECT 763 762 764 765 CONECT 764 763 CONECT 765 763 766 835 CONECT 766 765 767 818 834 CONECT 767 766 768 769 CONECT 768 767 CONECT 769 767 770 817 CONECT 770 769 771 798 816 CONECT 771 770 772 773 CONECT 772 771 CONECT 773 771 774 797 CONECT 774 773 775 780 796 CONECT 775 774 776 777 CONECT 776 775 CONECT 777 775 778 779 CONECT 778 777 CONECT 779 777 CONECT 780 774 781 794 795 CONECT 781 780 782 792 793 CONECT 782 781 783 790 791 CONECT 783 782 784 788 789 CONECT 784 783 785 786 787 CONECT 785 784 CONECT 786 784 CONECT 787 784 CONECT 788 783 CONECT 789 783 CONECT 790 782 CONECT 791 782 CONECT 792 781 CONECT 793 781 CONECT 794 780 CONECT 795 780 CONECT 796 774 CONECT 797 773 CONECT 798 770 799 814 815 CONECT 799 798 800 812 813 CONECT 800 799 801 810 811 CONECT 801 800 802 809 CONECT 802 801 803 806 CONECT 803 802 804 805 CONECT 804 803 CONECT 805 803 CONECT 806 802 807 808 CONECT 807 806 CONECT 808 806 CONECT 809 801 CONECT 810 800 CONECT 811 800 CONECT 812 799 CONECT 813 799 CONECT 814 798 CONECT 815 798 CONECT 816 770 CONECT 817 769 CONECT 818 766 819 832 833 CONECT 819 818 820 830 831 CONECT 820 819 821 828 829 CONECT 821 820 822 826 827 CONECT 822 821 823 824 825 CONECT 823 822 CONECT 824 822 CONECT 825 822 CONECT 826 821 CONECT 827 821 CONECT 828 820 CONECT 829 820 CONECT 830 819 CONECT 831 819 CONECT 832 818 CONECT 833 818 CONECT 834 766 CONECT 835 765 CONECT 836 762 837 845 846 CONECT 837 836 838 843 844 CONECT 838 837 839 840 CONECT 839 838 CONECT 840 838 841 842 CONECT 841 840 CONECT 842 840 CONECT 843 837 CONECT 844 837 CONECT 845 836 CONECT 846 836 CONECT 847 762 CONECT 848 761 CONECT 849 758 850 863 864 CONECT 850 849 851 861 862 CONECT 851 850 852 859 860 CONECT 852 851 853 857 858 CONECT 853 852 854 855 856 CONECT 854 853 CONECT 855 853 CONECT 856 853 CONECT 857 852 CONECT 858 852 CONECT 859 851 CONECT 860 851 CONECT 861 850 CONECT 862 850 CONECT 863 849 CONECT 864 849 CONECT 865 758 CONECT 866 757 CONECT 867 754 868 874 875 CONECT 868 867 869 872 873 CONECT 869 753 868 870 871 CONECT 870 869 CONECT 871 869 CONECT 872 868 CONECT 873 868 CONECT 874 867 CONECT 875 867 CONECT 876 754 CONECT 877 750 878 884 885 CONECT 878 877 879 882 883 CONECT 879 749 878 880 881 CONECT 880 879 CONECT 881 879 CONECT 882 878 CONECT 883 878 CONECT 884 877 CONECT 885 877 CONECT 886 750 CONECT 887 746 888 898 899 CONECT 888 887 889 893 897 CONECT 889 888 890 891 892 CONECT 890 889 CONECT 891 889 CONECT 892 889 CONECT 893 888 894 895 896 CONECT 894 893 CONECT 895 893 CONECT 896 893 CONECT 897 888 CONECT 898 887 CONECT 899 887 CONECT 900 746 CONECT 901 745 CONECT 902 742 903 909 910 CONECT 903 902 904 907 908 CONECT 904 741 903 905 906 CONECT 905 904 CONECT 906 904 CONECT 907 903 CONECT 908 903 CONECT 909 902 CONECT 910 902 CONECT 911 742 CONECT 912 738 913 919 920 CONECT 913 912 914 917 918 CONECT 914 737 913 915 916 CONECT 915 914 CONECT 916 914 CONECT 917 913 CONECT 918 913 CONECT 919 912 CONECT 920 912 CONECT 921 738 CONECT 922 734 923 938 939 CONECT 923 922 924 936 937 CONECT 924 923 925 934 935 CONECT 925 924 926 933 CONECT 926 925 927 930 CONECT 927 926 928 929 CONECT 928 927 CONECT 929 927 CONECT 930 926 931 932 CONECT 931 930 CONECT 932 930 CONECT 933 925 CONECT 934 924 CONECT 935 924 CONECT 936 923 CONECT 937 923 CONECT 938 922 CONECT 939 922 CONECT 940 734 CONECT 941 733 CONECT 942 730 CONECT 943 730 CONECT 944 729 CONECT 945 726 946 958 959 CONECT 946 945 947 951 CONECT 947 946 948 957 CONECT 948 947 949 956 CONECT 949 948 950 954 CONECT 950 949 951 953 CONECT 951 946 950 952 CONECT 952 951 CONECT 953 950 CONECT 954 949 955 CONECT 955 954 CONECT 956 948 CONECT 957 947 CONECT 958 945 CONECT 959 945 CONECT 960 726 CONECT 961 725 MASTER 0 0 0 0 0 0 0 0 960 1 247 5 END
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Related entries of code: 6atv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5ul6
RCSB PDB
PDBbind
15aa, >5UL6_2|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a37
RCSB PDB
PDBbind
15-mer
1eol
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PDBbind
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1j7z
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1jyc
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PDBbind
15-mer
1kcs
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PDBbind
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1klg
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PDBbind
15-mer
1klu
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1kna
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PDBbind
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1kne
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PDBbind
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PDBbind
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1t08
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PDBbind
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1t79
RCSB PDB
PDBbind
15-mer
1t7f
RCSB PDB
PDBbind
15-mer
1t7r
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PDBbind
15-mer
1tet
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PDBbind
15-mer
1w70
RCSB PDB
PDBbind
15-mer
1xhm
RCSB PDB
PDBbind
15-mer
2aq9
RCSB PDB
PDBbind
15-mer
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PDBbind
15-mer
2bba
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
15-mer
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RCSB PDB
PDBbind
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2f6j
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PDBbind
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2fsa
RCSB PDB
PDBbind
15-mer
2fuu
RCSB PDB
PDBbind
15-mer
2jk9
RCSB PDB
PDBbind
15-mer
2k00
RCSB PDB
PDBbind
15-mer
2ksp
RCSB PDB
PDBbind
15-mer
2kwn
RCSB PDB
PDBbind
15-mer
2l11
RCSB PDB
PDBbind
15-mer
2l12
RCSB PDB
PDBbind
15-mer
2l1b
RCSB PDB
PDBbind
15-mer
2lbm
RCSB PDB
PDBbind
15-mer
2lgf
RCSB PDB
PDBbind
15-mer
2ltx
RCSB PDB
PDBbind
15-mer
2lty
RCSB PDB
PDBbind
15-mer
2ltz
RCSB PDB
PDBbind
15-mer
2m41
RCSB PDB
PDBbind
15-mer
2mwo
RCSB PDB
PDBbind
15-mer
2mwy
RCSB PDB
PDBbind
15-mer
2n9e
RCSB PDB
PDBbind
15-mer
2pmc
RCSB PDB
PDBbind
15-mer
2rnw
RCSB PDB
PDBbind
15-mer
2rny
RCSB PDB
PDBbind
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2vwf
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PDBbind
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PDBbind
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2z5s
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PDBbind
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RCSB PDB
PDBbind
15-mer
3b95
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PDBbind
15-mer
3btr
RCSB PDB
PDBbind
15-mer
3bu6
RCSB PDB
PDBbind
15-mer
3cfs
RCSB PDB
PDBbind
15-mer
3dab
RCSB PDB
PDBbind
15-mer
3fdt
RCSB PDB
PDBbind
15-mer
3ghe
RCSB PDB
PDBbind
15-mer
3gv6
RCSB PDB
PDBbind
15-mer
3h1z
RCSB PDB
PDBbind
15-mer
3h91
RCSB PDB
PDBbind
15-mer
3hqh
RCSB PDB
PDBbind
15-mer
3jpx
RCSB PDB
PDBbind
15-mer
3l3q
RCSB PDB
PDBbind
15-mer
3l6f
RCSB PDB
PDBbind
15-mer
3m17
RCSB PDB
PDBbind
15-mer
3o6l
RCSB PDB
PDBbind
15-mer
3ql9
RCSB PDB
PDBbind
15-mer
3qlc
RCSB PDB
PDBbind
15-mer
3qo2
RCSB PDB
PDBbind
15-mer
3qxd
RCSB PDB
PDBbind
15-mer
3r93
RCSB PDB
PDBbind
15-mer
3uig
RCSB PDB
PDBbind
15-mer
3uih
RCSB PDB
PDBbind
15-mer
3uij
RCSB PDB
PDBbind
15-mer
3wp0
RCSB PDB
PDBbind
15-mer
3wsy
RCSB PDB
PDBbind
15-mer
4b4n
RCSB PDB
PDBbind
15-mer
4bxu
RCSB PDB
PDBbind
15-mer
4cy1
RCSB PDB
PDBbind
15-mer
4dma
RCSB PDB
PDBbind
15-mer
4dx9
RCSB PDB
PDBbind
15-mer
4ezo
RCSB PDB
PDBbind
15-mer
4ft2
RCSB PDB
PDBbind
15-mer
4gnf
RCSB PDB
PDBbind
15-mer
4gng
RCSB PDB
PDBbind
15-mer
4hfz
RCSB PDB
PDBbind
15-mer
4iur
RCSB PDB
PDBbind
15-mer
4iut
RCSB PDB
PDBbind
15-mer
4iuu
RCSB PDB
PDBbind
15-mer
4iuv
RCSB PDB
PDBbind
15-mer
4j8s
RCSB PDB
PDBbind
15-mer
4k0u
RCSB PDB
PDBbind
15-mer
4n3w
RCSB PDB
PDBbind
15-mer
4n5t
RCSB PDB
PDBbind
15-mer
4nb3
RCSB PDB
PDBbind
15-mer
4nmx
RCSB PDB
PDBbind
15-mer
4nw2
RCSB PDB
PDBbind
15-mer
4o36
RCSB PDB
PDBbind
15-mer
4o37
RCSB PDB
PDBbind
15-mer
4o3u
RCSB PDB
PDBbind
15-mer
4o42
RCSB PDB
PDBbind
15-mer
4o45
RCSB PDB
PDBbind
15-mer
4os1
RCSB PDB
PDBbind
15-mer
4os4
RCSB PDB
PDBbind
15-mer
4os5
RCSB PDB
PDBbind
15-mer
4os7
RCSB PDB
PDBbind
15-mer
4psx
RCSB PDB
PDBbind
15-mer
4r1e
RCSB PDB
PDBbind
15-mer
4r3s
RCSB PDB
PDBbind
15-mer
4rrv
RCSB PDB
PDBbind
15-mer
4u0a
RCSB PDB
PDBbind
15-mer
4u0b
RCSB PDB
PDBbind
15-mer
4u6x
RCSB PDB
PDBbind
15-mer
4u6y
RCSB PDB
PDBbind
15-mer
4xyn
RCSB PDB
PDBbind
15-mer
5cfa
RCSB PDB
PDBbind
15-mer
5cin
RCSB PDB
PDBbind
15-mer
5cqx
RCSB PDB
PDBbind
15-mer
5dif
RCSB PDB
PDBbind
15-mer
5epp
RCSB PDB
PDBbind
15-mer
5etf
RCSB PDB
PDBbind
15-mer
5fb0
RCSB PDB
PDBbind
15-mer
5fb1
RCSB PDB
PDBbind
15-mer
5h5q
RCSB PDB
PDBbind
15-mer
5h5r
RCSB PDB
PDBbind
15-mer
5ix1
RCSB PDB
PDBbind
15-mer
5izu
RCSB PDB
PDBbind
15-mer
5j19
RCSB PDB
PDBbind
15-mer
5j9k
RCSB PDB
PDBbind
15-mer
5jlz
RCSB PDB
PDBbind
15-mer
5ksu
RCSB PDB
PDBbind
15-mer
5ksv
RCSB PDB
PDBbind
15-mer
5kzp
RCSB PDB
PDBbind
15-mer
5lax
RCSB PDB
PDBbind
15-mer
5mlo
RCSB PDB
PDBbind
15-mer
5o45
RCSB PDB
PDBbind
15-mer
5svz
RCSB PDB
PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
RCSB PDB
PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5ul6
RCSB PDB
PDBbind
15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
RCSB PDB
PDBbind
15-mer
5vb9
RCSB PDB
PDBbind
15-mer
5vzy
RCSB PDB
PDBbind
15-mer
5wir
RCSB PDB
PDBbind
15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
PDBbind
15-mer
5zuj
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
6atv
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
N-terminal SH3
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Kd=6.0nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Biophys. J. Vol. 114: pp. 1313-1320
Ligand Properties
Formula
C
7
4
H
1
2
9
N
2
4
O
1
6
Molecular Weight
1610.970
Exact Mass
1610.000
No. of atoms
243
No. of bonds
247
Polar Surface Area
664.49
LOGP Value
-0.84 (
Computed with XLOGP3
)
-4.31 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 63
No. of Nitrogen and Oxygen Atoms: 40
No. of Rings: 5
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCC[NH3+])CCC[NH+]=C(N)N)CCCC[NH3+])CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C)CCC[NH+]=C(N)N)CC(C)C
InChI String
InChI=1S/C74H124N24O16/c1-43(2)40-54(94-68(110)56-22-13-37-96(56)71(113)57-23-14-38-97(57)69(111)52(20-11-35-85-74(82)83)88-60(102)42-86-62(104)53(87-44(3)99)41-45-25-27-46(100)28-26-45)70(112)98-39-15-24-58(98)72(114)95-36-12-21-55(95)67(109)93-49(18-6-9-33-77)65(107)92-51(29-30-59(78)101)66(108)90-48(17-5-8-32-76)64(106)91-50(19-10-34-84-73(80)81)63(105)89-47(61(79)103)16-4-7-31-75/h25-28,43,47-58,100H,4-24,29-42,75-77H2,1-3H3,(H2,78,101)(H2,79,103)(H,86,104)(H,87,99)(H,88,102)(H,89,105)(H,90,108)(H,91,106)(H,92,107)(H,93,109)(H,94,110)(H4,80,81,84)(H4,82,83,85)/p+5/t47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/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):
P46108
Q99AU3
Entrez Gene ID
NCBI Entrez Gene ID:
1398
ASD
Information of known allosteric effects of PDB entries
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