Browse entries in the PDBbind-CN Database
HEADER 5XHZ_COMPLEX COMPND 5XHZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 60 ARG ARG ARG ARG ARG CYS GLN VAL ALA PHE SER TYR LEU SEQRES 2 A 60 PRO GLN ASN ASP ASP GLU LEU GLU LEU LYS VAL GLY ASP SEQRES 3 A 60 ILE ILE GLU VAL VAL GLY GLU VAL GLU GLU GLY TRP TRP SEQRES 4 A 60 GLU GLY VAL LEU ASN GLY LYS THR GLY MET PHE PRO SER SEQRES 5 A 60 ASN PHE ILE LYS GLU LEU SER GLY HET ARG A 184 205 ATOM 1 N ARG A 108 -5.443 7.062 25.501 1.00 51.56 N ATOM 2 CA ARG A 108 -6.012 6.961 24.162 1.00 48.98 C ATOM 3 C ARG A 108 -6.465 8.327 23.648 1.00 44.92 C ATOM 4 O ARG A 108 -7.541 8.808 23.998 1.00 44.50 O ATOM 5 CB ARG A 108 -7.184 5.976 24.151 1.00 43.48 C ATOM 6 HN3 ARG A 108 -6.159 7.441 26.153 1.00 0.00 H ATOM 7 HN2 ARG A 108 -4.620 7.698 25.480 1.00 0.00 H ATOM 8 HN1 ARG A 108 -5.145 6.119 25.822 1.00 0.00 H ATOM 9 N ARG A 109 -5.633 8.949 22.819 1.00 42.55 N ATOM 10 CA ARG A 109 -5.956 10.242 22.238 1.00 31.26 C ATOM 11 C ARG A 109 -6.718 10.065 20.929 1.00 32.54 C ATOM 12 O ARG A 109 -6.672 9.013 20.287 1.00 28.14 O ATOM 13 CB ARG A 109 -4.687 11.067 22.016 1.00 25.56 C ATOM 14 CG ARG A 109 -3.910 11.318 23.296 1.00 28.33 C ATOM 15 CD ARG A 109 -2.787 12.314 23.086 1.00 32.67 C ATOM 16 NE ARG A 109 -1.829 12.273 24.185 1.00 32.31 N ATOM 17 CZ ARG A 109 -0.888 13.187 24.386 1.00 37.63 C ATOM 18 NH1 ARG A 109 -0.774 14.221 23.559 1.00 28.42 N ATOM 19 NH2 ARG A 109 -0.061 13.069 25.416 1.00 42.90 N ATOM 20 HE ARG A 109 -1.887 11.478 24.853 1.00 0.00 H ATOM 21 HH12 ARG A 109 -0.036 14.936 23.719 1.00 0.00 H ATOM 22 HH11 ARG A 109 -1.423 14.315 22.752 1.00 0.00 H ATOM 23 HH22 ARG A 109 0.677 13.784 25.575 1.00 0.00 H ATOM 24 HH21 ARG A 109 -0.150 12.261 26.065 1.00 0.00 H ATOM 25 H ARG A 109 -4.727 8.499 22.579 1.00 0.00 H ATOM 26 N ARG A 110 -7.427 11.120 20.540 1.00 22.88 N ATOM 27 CA ARG A 110 -8.328 11.044 19.403 1.00 18.34 C ATOM 28 C ARG A 110 -7.569 11.090 18.085 1.00 17.01 C ATOM 29 O ARG A 110 -6.463 11.627 17.991 1.00 19.74 O ATOM 30 CB ARG A 110 -9.317 12.211 19.437 1.00 23.67 C ATOM 31 CG ARG A 110 -10.241 12.210 20.645 1.00 25.25 C ATOM 32 CD ARG A 110 -11.597 12.796 20.297 1.00 30.18 C ATOM 33 H ARG A 110 -7.335 12.016 21.059 1.00 0.00 H ATOM 34 N ARG A 111 -8.178 10.508 17.056 1.00 16.09 N ATOM 35 CA ARG A 111 -7.733 10.658 15.671 1.00 14.40 C ATOM 36 C ARG A 111 -8.946 11.135 14.879 1.00 12.74 C ATOM 37 O ARG A 111 -9.822 10.332 14.553 1.00 14.41 O ATOM 38 CB ARG A 111 -7.224 9.336 15.110 1.00 14.96 C ATOM 39 CG ARG A 111 -6.045 8.727 15.857 1.00 16.93 C ATOM 40 CD ARG A 111 -5.655 7.375 15.262 1.00 17.80 C ATOM 41 NE ARG A 111 -5.209 7.497 13.876 1.00 19.96 N ATOM 42 CZ ARG A 111 -5.302 6.528 12.970 1.00 20.36 C ATOM 43 NH1 ARG A 111 -4.868 6.728 11.732 1.00 18.83 N ATOM 44 NH2 ARG A 111 -5.831 5.357 13.300 1.00 22.51 N ATOM 45 HE ARG A 111 -4.791 8.402 13.578 1.00 0.00 H ATOM 46 HH12 ARG A 111 -4.942 5.968 11.026 1.00 0.00 H ATOM 47 HH11 ARG A 111 -4.454 7.645 11.468 1.00 0.00 H ATOM 48 HH22 ARG A 111 -5.903 4.600 12.590 1.00 0.00 H ATOM 49 HH21 ARG A 111 -6.174 5.196 14.269 1.00 0.00 H ATOM 50 H ARG A 111 -9.012 9.917 17.246 1.00 0.00 H ATOM 51 N ARG A 112 -9.008 12.423 14.580 1.00 13.00 N ATOM 52 CA ARG A 112 -10.160 13.026 13.919 1.00 11.50 C ATOM 53 C ARG A 112 -9.798 13.454 12.502 1.00 12.49 C ATOM 54 O ARG A 112 -8.652 13.813 12.217 1.00 13.21 O ATOM 55 CB ARG A 112 -10.652 14.254 14.703 1.00 12.59 C ATOM 56 CG ARG A 112 -11.121 13.962 16.132 1.00 13.89 C ATOM 57 CD ARG A 112 -11.788 15.186 16.766 1.00 15.11 C ATOM 58 NE ARG A 112 -10.823 16.239 17.098 1.00 15.50 N ATOM 59 CZ ARG A 112 -11.075 17.549 17.072 1.00 14.36 C ATOM 60 NH1 ARG A 112 -10.110 18.392 17.393 1.00 16.23 N ATOM 61 NH2 ARG A 112 -12.273 18.013 16.708 1.00 16.22 N ATOM 62 HE ARG A 112 -9.866 15.941 17.376 1.00 0.00 H ATOM 63 HH12 ARG A 112 -10.288 19.417 17.378 1.00 0.00 H ATOM 64 HH11 ARG A 112 -9.172 18.031 17.660 1.00 0.00 H ATOM 65 HH22 ARG A 112 -12.451 19.037 16.694 1.00 0.00 H ATOM 66 HH21 ARG A 112 -13.028 17.350 16.439 1.00 0.00 H ATOM 67 H ARG A 112 -8.201 13.031 14.827 1.00 0.00 H ATOM 68 N CYS A 113 -10.790 13.437 11.606 1.00 12.52 N ATOM 69 CA CYS A 113 -10.635 14.026 10.279 1.00 12.05 C ATOM 70 C CYS A 113 -11.952 14.676 9.877 1.00 12.03 C ATOM 71 O CYS A 113 -12.994 14.417 10.484 1.00 12.60 O ATOM 72 CB CYS A 113 -10.178 13.008 9.226 1.00 12.14 C ATOM 73 SG CYS A 113 -11.403 11.735 8.801 1.00 13.17 S ATOM 74 H CYS A 113 -11.695 12.993 11.861 1.00 0.00 H ATOM 75 N GLN A 114 -11.907 15.505 8.835 1.00 11.84 N ATOM 76 CA GLN A 114 -13.054 16.298 8.410 1.00 13.26 C ATOM 77 C GLN A 114 -13.513 15.874 7.022 1.00 11.18 C ATOM 78 O GLN A 114 -12.695 15.718 6.116 1.00 12.67 O ATOM 79 CB GLN A 114 -12.689 17.780 8.387 1.00 14.81 C ATOM 80 CG GLN A 114 -13.768 18.687 7.803 1.00 14.99 C ATOM 81 CD GLN A 114 -13.265 20.093 7.556 1.00 24.64 C ATOM 82 OE1 GLN A 114 -12.062 20.332 7.508 1.00 18.76 O ATOM 83 NE2 GLN A 114 -14.188 21.035 7.405 1.00 24.18 N ATOM 84 HE22 GLN A 114 -15.197 20.787 7.453 1.00 0.00 H ATOM 85 HE21 GLN A 114 -13.902 22.021 7.239 1.00 0.00 H ATOM 86 H GLN A 114 -11.017 15.590 8.303 1.00 0.00 H ATOM 87 N VAL A 115 -14.831 15.721 6.862 1.00 11.87 N ATOM 88 CA VAL A 115 -15.424 15.376 5.576 1.00 12.70 C ATOM 89 C VAL A 115 -15.393 16.584 4.646 1.00 10.48 C ATOM 90 O VAL A 115 -15.851 17.678 5.013 1.00 12.75 O ATOM 91 CB VAL A 115 -16.864 14.890 5.790 1.00 11.58 C ATOM 92 CG1 VAL A 115 -17.571 14.736 4.452 1.00 12.90 C ATOM 93 CG2 VAL A 115 -16.870 13.577 6.565 1.00 11.51 C ATOM 94 H VAL A 115 -15.455 15.853 7.683 1.00 0.00 H ATOM 95 N ALA A 116 -14.890 16.380 3.427 1.00 11.47 N ATOM 96 CA ALA A 116 -14.864 17.415 2.398 1.00 12.09 C ATOM 97 C ALA A 116 -16.050 17.353 1.442 1.00 13.16 C ATOM 98 O ALA A 116 -16.447 18.391 0.905 1.00 14.77 O ATOM 99 CB ALA A 116 -13.565 17.335 1.587 1.00 14.44 C ATOM 100 H ALA A 116 -14.500 15.443 3.200 1.00 0.00 H ATOM 101 N PHE A 117 -16.615 16.172 1.202 1.00 11.99 N ATOM 102 CA PHE A 117 -17.707 15.979 0.249 1.00 12.34 C ATOM 103 C PHE A 117 -18.733 15.040 0.861 1.00 12.25 C ATOM 104 O PHE A 117 -18.367 14.077 1.541 1.00 12.08 O ATOM 105 CB PHE A 117 -17.208 15.337 -1.056 1.00 13.05 C ATOM 106 CG PHE A 117 -16.274 16.205 -1.856 1.00 12.60 C ATOM 107 CD1 PHE A 117 -16.765 17.103 -2.799 1.00 15.96 C ATOM 108 CD2 PHE A 117 -14.903 16.106 -1.678 1.00 14.09 C ATOM 109 CE1 PHE A 117 -15.898 17.896 -3.535 1.00 16.33 C ATOM 110 CE2 PHE A 117 -14.034 16.889 -2.413 1.00 16.81 C ATOM 111 CZ PHE A 117 -14.529 17.786 -3.340 1.00 18.18 C ATOM 112 H PHE A 117 -16.261 15.342 1.720 1.00 0.00 H ATOM 113 N SER A 118 -20.016 15.310 0.605 1.00 12.11 N ATOM 114 CA SER A 118 -21.056 14.448 1.144 1.00 11.28 C ATOM 115 C SER A 118 -21.109 13.117 0.394 1.00 10.92 C ATOM 116 O SER A 118 -20.644 12.977 -0.743 1.00 12.50 O ATOM 117 CB SER A 118 -22.418 15.135 1.091 1.00 13.90 C ATOM 118 OG SER A 118 -22.805 15.364 -0.245 1.00 17.58 O ATOM 119 HG SER A 118 -22.135 15.944 -0.687 1.00 0.00 H ATOM 120 H SER A 118 -20.270 16.133 0.023 1.00 0.00 H ATOM 121 N TYR A 119 -21.680 12.121 1.063 1.00 10.94 N ATOM 122 CA TYR A 119 -21.728 10.773 0.518 1.00 11.62 C ATOM 123 C TYR A 119 -22.866 10.025 1.188 1.00 12.36 C ATOM 124 O TYR A 119 -22.968 10.011 2.421 1.00 13.01 O ATOM 125 CB TYR A 119 -20.395 10.050 0.784 1.00 12.14 C ATOM 126 CG TYR A 119 -20.390 8.609 0.322 1.00 11.97 C ATOM 127 CD1 TYR A 119 -20.243 8.294 -1.028 1.00 12.34 C ATOM 128 CD2 TYR A 119 -20.546 7.573 1.227 1.00 11.66 C ATOM 129 CE1 TYR A 119 -20.241 6.986 -1.457 1.00 11.78 C ATOM 130 CE2 TYR A 119 -20.551 6.253 0.805 1.00 12.39 C ATOM 131 CZ TYR A 119 -20.398 5.972 -0.543 1.00 12.56 C ATOM 132 OH TYR A 119 -20.401 4.670 -0.991 1.00 13.62 O ATOM 133 HH TYR A 119 -20.281 4.660 -1.974 1.00 0.00 H ATOM 134 H TYR A 119 -22.101 12.309 1.995 1.00 0.00 H ATOM 135 N LEU A 120 -23.707 9.389 0.377 1.00 10.92 N ATOM 136 CA LEU A 120 -24.765 8.542 0.906 1.00 11.12 C ATOM 137 C LEU A 120 -24.383 7.075 0.743 1.00 10.61 C ATOM 138 O LEU A 120 -23.770 6.699 -0.262 1.00 12.49 O ATOM 139 CB LEU A 120 -26.084 8.823 0.179 1.00 12.03 C ATOM 140 CG LEU A 120 -26.645 10.218 0.477 1.00 11.30 C ATOM 141 CD1 LEU A 120 -27.842 10.505 -0.424 1.00 15.02 C ATOM 142 CD2 LEU A 120 -27.021 10.332 1.944 1.00 15.74 C ATOM 143 H LEU A 120 -23.607 9.499 -0.652 1.00 0.00 H ATOM 144 N PRO A 121 -24.723 6.242 1.720 1.00 10.62 N ATOM 145 CA PRO A 121 -24.222 4.859 1.720 1.00 12.62 C ATOM 146 C PRO A 121 -24.713 4.044 0.530 1.00 14.29 C ATOM 147 O PRO A 121 -25.856 4.174 0.088 1.00 14.75 O ATOM 148 CB PRO A 121 -24.744 4.288 3.045 1.00 14.51 C ATOM 149 CG PRO A 121 -25.830 5.224 3.491 1.00 17.88 C ATOM 150 CD PRO A 121 -25.460 6.576 2.950 1.00 12.31 C ATOM 151 N GLN A 122 -23.826 3.185 0.017 1.00 14.64 N ATOM 152 CA GLN A 122 -24.158 2.216 -1.022 1.00 19.18 C ATOM 153 C GLN A 122 -24.155 0.786 -0.518 1.00 18.16 C ATOM 154 O GLN A 122 -24.520 -0.124 -1.276 1.00 20.06 O ATOM 155 CB GLN A 122 -23.171 2.301 -2.192 1.00 20.41 C ATOM 156 CG GLN A 122 -22.948 3.668 -2.741 1.00 22.19 C ATOM 157 CD GLN A 122 -21.997 3.648 -3.921 1.00 16.15 C ATOM 158 OE1 GLN A 122 -20.815 3.966 -3.788 1.00 22.14 O ATOM 159 NE2 GLN A 122 -22.507 3.256 -5.083 1.00 22.00 N ATOM 160 HE22 GLN A 122 -23.512 2.997 -5.149 1.00 0.00 H ATOM 161 HE21 GLN A 122 -21.901 3.209 -5.927 1.00 0.00 H ATOM 162 H GLN A 122 -22.850 3.209 0.377 1.00 0.00 H ATOM 163 N ASN A 123 -23.728 0.561 0.718 1.00 13.98 N ATOM 164 CA ASN A 123 -23.777 -0.730 1.381 1.00 14.85 C ATOM 165 C ASN A 123 -24.171 -0.498 2.834 1.00 15.40 C ATOM 166 O ASN A 123 -23.952 0.588 3.386 1.00 14.35 O ATOM 167 CB ASN A 123 -22.421 -1.461 1.315 1.00 14.94 C ATOM 168 CG ASN A 123 -22.020 -1.834 -0.104 1.00 17.39 C ATOM 169 OD1 ASN A 123 -22.464 -2.858 -0.633 1.00 18.70 O ATOM 170 ND2 ASN A 123 -21.178 -1.020 -0.723 1.00 15.75 N ATOM 171 HD22 ASN A 123 -20.829 -0.168 -0.240 1.00 0.00 H ATOM 172 HD21 ASN A 123 -20.866 -1.233 -1.692 1.00 0.00 H ATOM 173 H ASN A 123 -23.331 1.363 1.248 1.00 0.00 H ATOM 174 N ASP A 124 -24.735 -1.531 3.464 1.00 16.19 N ATOM 175 CA ASP A 124 -25.322 -1.349 4.786 1.00 16.79 C ATOM 176 C ASP A 124 -24.291 -1.122 5.878 1.00 16.02 C ATOM 177 O ASP A 124 -24.676 -0.794 7.004 1.00 21.40 O ATOM 178 CB ASP A 124 -26.305 -2.484 5.146 1.00 19.47 C ATOM 179 CG ASP A 124 -25.658 -3.863 5.162 1.00 22.90 C ATOM 180 OD1 ASP A 124 -26.410 -4.865 5.241 1.00 17.03 O ATOM 181 OD2 ASP A 124 -24.421 -3.974 5.110 1.00 20.91 O ATOM 182 H ASP A 124 -24.756 -2.467 3.011 1.00 0.00 H ATOM 183 N ASP A 125 -23.000 -1.268 5.579 1.00 12.64 N ATOM 184 CA ASP A 125 -21.950 -0.985 6.550 1.00 12.22 C ATOM 185 C ASP A 125 -21.345 0.405 6.390 1.00 11.01 C ATOM 186 O ASP A 125 -20.384 0.718 7.095 1.00 12.16 O ATOM 187 CB ASP A 125 -20.843 -2.062 6.514 1.00 12.54 C ATOM 188 CG ASP A 125 -20.128 -2.134 5.172 1.00 10.94 C ATOM 189 OD1 ASP A 125 -20.587 -1.528 4.182 1.00 14.23 O ATOM 190 OD2 ASP A 125 -19.075 -2.818 5.118 1.00 12.96 O ATOM 191 H ASP A 125 -22.735 -1.593 4.627 1.00 0.00 H ATOM 192 N GLU A 126 -21.865 1.235 5.491 1.00 11.49 N ATOM 193 CA GLU A 126 -21.266 2.530 5.192 1.00 10.88 C ATOM 194 C GLU A 126 -21.954 3.652 5.960 1.00 11.23 C ATOM 195 O GLU A 126 -23.153 3.597 6.253 1.00 13.06 O ATOM 196 CB GLU A 126 -21.323 2.832 3.695 1.00 10.99 C ATOM 197 CG GLU A 126 -20.518 1.837 2.882 1.00 11.07 C ATOM 198 CD GLU A 126 -20.550 2.078 1.388 1.00 12.37 C ATOM 199 OE1 GLU A 126 -21.170 3.058 0.919 1.00 13.62 O ATOM 200 OE2 GLU A 126 -19.938 1.245 0.667 1.00 12.88 O ATOM 201 H GLU A 126 -22.728 0.951 4.984 1.00 0.00 H ATOM 202 N LEU A 127 -21.166 4.675 6.278 1.00 10.15 N ATOM 203 CA LEU A 127 -21.663 5.906 6.885 1.00 11.15 C ATOM 204 C LEU A 127 -22.238 6.841 5.831 1.00 11.35 C ATOM 205 O LEU A 127 -21.827 6.832 4.670 1.00 13.54 O ATOM 206 CB LEU A 127 -20.520 6.649 7.572 1.00 12.13 C ATOM 207 CG LEU A 127 -19.822 5.908 8.710 1.00 12.73 C ATOM 208 CD1 LEU A 127 -18.619 6.704 9.175 1.00 15.15 C ATOM 209 CD2 LEU A 127 -20.765 5.623 9.859 1.00 16.28 C ATOM 210 H LEU A 127 -20.147 4.594 6.085 1.00 0.00 H ATOM 211 N GLU A 128 -23.214 7.650 6.245 1.00 10.39 N ATOM 212 CA GLU A 128 -23.509 8.876 5.514 1.00 10.89 C ATOM 213 C GLU A 128 -22.505 9.948 5.922 1.00 10.05 C ATOM 214 O GLU A 128 -22.254 10.154 7.113 1.00 11.59 O ATOM 215 CB GLU A 128 -24.929 9.368 5.802 1.00 11.73 C ATOM 216 CG GLU A 128 -25.176 10.764 5.213 1.00 12.38 C ATOM 217 CD GLU A 128 -26.568 11.328 5.471 1.00 12.41 C ATOM 218 OE1 GLU A 128 -27.286 10.826 6.365 1.00 14.99 O ATOM 219 OE2 GLU A 128 -26.927 12.290 4.767 1.00 13.02 O ATOM 220 H GLU A 128 -23.766 7.405 7.092 1.00 0.00 H ATOM 221 N LEU A 129 -21.937 10.626 4.941 1.00 9.92 N ATOM 222 CA LEU A 129 -21.050 11.754 5.188 1.00 10.95 C ATOM 223 C LEU A 129 -21.750 13.050 4.806 1.00 12.33 C ATOM 224 O LEU A 129 -22.389 13.135 3.750 1.00 11.61 O ATOM 225 CB LEU A 129 -19.765 11.640 4.367 1.00 11.55 C ATOM 226 CG LEU A 129 -18.967 10.350 4.517 1.00 11.32 C ATOM 227 CD1 LEU A 129 -17.644 10.469 3.787 1.00 12.82 C ATOM 228 CD2 LEU A 129 -18.754 10.016 5.972 1.00 12.11 C ATOM 229 H LEU A 129 -22.130 10.345 3.959 1.00 0.00 H ATOM 230 N LYS A 130 -21.601 14.065 5.652 1.00 11.04 N ATOM 231 CA LYS A 130 -22.039 15.422 5.342 1.00 12.11 C ATOM 232 C LYS A 130 -20.832 16.339 5.435 1.00 12.88 C ATOM 233 O LYS A 130 -19.982 16.144 6.306 1.00 12.85 O ATOM 234 CB LYS A 130 -23.118 15.891 6.326 1.00 14.40 C ATOM 235 CG LYS A 130 -24.325 14.963 6.377 1.00 15.13 C ATOM 236 CD LYS A 130 -25.314 15.353 7.470 1.00 17.39 C ATOM 237 CE LYS A 130 -26.330 14.241 7.668 1.00 21.30 C ATOM 238 NZ LYS A 130 -27.339 14.546 8.719 1.00 19.05 N ATOM 239 HZ1 LYS A 130 -26.856 14.696 9.628 1.00 0.00 H ATOM 240 HZ2 LYS A 130 -27.862 15.406 8.457 1.00 0.00 H ATOM 241 HZ3 LYS A 130 -28.001 13.749 8.804 1.00 0.00 H ATOM 242 H LYS A 130 -21.154 13.884 6.573 1.00 0.00 H ATOM 243 N VAL A 131 -20.739 17.318 4.526 1.00 13.16 N ATOM 244 CA VAL A 131 -19.600 18.236 4.514 1.00 13.34 C ATOM 245 C VAL A 131 -19.412 18.840 5.896 1.00 14.32 C ATOM 246 O VAL A 131 -20.371 19.297 6.526 1.00 15.51 O ATOM 247 CB VAL A 131 -19.799 19.334 3.453 1.00 14.49 C ATOM 248 CG1 VAL A 131 -18.718 20.402 3.587 1.00 17.42 C ATOM 249 CG2 VAL A 131 -19.777 18.751 2.058 1.00 14.56 C ATOM 250 H VAL A 131 -21.490 17.428 3.815 1.00 0.00 H ATOM 251 N GLY A 132 -18.168 18.825 6.381 1.00 12.13 N ATOM 252 CA GLY A 132 -17.865 19.356 7.691 1.00 15.39 C ATOM 253 C GLY A 132 -17.959 18.362 8.831 1.00 13.93 C ATOM 254 O GLY A 132 -17.512 18.678 9.940 1.00 15.38 O ATOM 255 H GLY A 132 -17.401 18.423 5.805 1.00 0.00 H ATOM 256 N ASP A 133 -18.533 17.177 8.606 1.00 12.41 N ATOM 257 CA ASP A 133 -18.591 16.163 9.651 1.00 12.84 C ATOM 258 C ASP A 133 -17.181 15.810 10.116 1.00 11.52 C ATOM 259 O ASP A 133 -16.243 15.756 9.321 1.00 12.50 O ATOM 260 CB ASP A 133 -19.243 14.886 9.112 1.00 12.20 C ATOM 261 CG ASP A 133 -20.761 14.937 9.097 1.00 14.69 C ATOM 262 OD1 ASP A 133 -21.372 15.860 9.693 1.00 16.56 O ATOM 263 OD2 ASP A 133 -21.345 14.018 8.479 1.00 14.19 O ATOM 264 H ASP A 133 -18.944 16.975 7.672 1.00 0.00 H ATOM 265 N ILE A 134 -17.048 15.542 11.407 1.00 12.73 N ATOM 266 CA ILE A 134 -15.773 15.145 11.997 1.00 11.98 C ATOM 267 C ILE A 134 -15.880 13.678 12.391 1.00 12.79 C ATOM 268 O ILE A 134 -16.732 13.305 13.206 1.00 15.74 O ATOM 269 CB ILE A 134 -15.409 16.024 13.204 1.00 15.21 C ATOM 270 CG1 ILE A 134 -15.406 17.519 12.825 1.00 16.30 C ATOM 271 CG2 ILE A 134 -14.063 15.621 13.759 1.00 17.68 C ATOM 272 CD1 ILE A 134 -14.480 17.894 11.690 1.00 17.44 C ATOM 273 H ILE A 134 -17.883 15.617 12.023 1.00 0.00 H ATOM 274 N ILE A 135 -15.020 12.847 11.800 1.00 12.27 N ATOM 275 CA ILE A 135 -15.020 11.400 11.996 1.00 12.32 C ATOM 276 C ILE A 135 -13.865 11.017 12.907 1.00 11.88 C ATOM 277 O ILE A 135 -12.737 11.501 12.734 1.00 12.87 O ATOM 278 CB ILE A 135 -14.874 10.687 10.643 1.00 11.57 C ATOM 279 CG1 ILE A 135 -16.051 11.004 9.729 1.00 13.72 C ATOM 280 CG2 ILE A 135 -14.745 9.175 10.831 1.00 13.03 C ATOM 281 CD1 ILE A 135 -15.817 10.566 8.308 1.00 14.75 C ATOM 282 H ILE A 135 -14.307 13.254 11.162 1.00 0.00 H ATOM 283 N GLU A 136 -14.131 10.131 13.865 1.00 11.62 N ATOM 284 CA GLU A 136 -13.074 9.490 14.640 1.00 12.78 C ATOM 285 C GLU A 136 -12.583 8.286 13.842 1.00 12.45 C ATOM 286 O GLU A 136 -13.336 7.326 13.623 1.00 13.12 O ATOM 287 CB GLU A 136 -13.620 9.062 16.000 1.00 15.54 C ATOM 288 CG GLU A 136 -12.587 8.435 16.921 1.00 20.04 C ATOM 289 CD GLU A 136 -11.621 9.452 17.488 1.00 18.15 C ATOM 290 OE1 GLU A 136 -12.017 10.628 17.638 1.00 20.28 O ATOM 291 OE2 GLU A 136 -10.468 9.074 17.787 1.00 22.25 O ATOM 292 H GLU A 136 -15.122 9.889 14.067 1.00 0.00 H ATOM 293 N VAL A 137 -11.335 8.331 13.391 1.00 12.89 N ATOM 294 CA VAL A 137 -10.812 7.310 12.485 1.00 12.15 C ATOM 295 C VAL A 137 -10.402 6.066 13.261 1.00 15.97 C ATOM 296 O VAL A 137 -9.654 6.150 14.244 1.00 16.40 O ATOM 297 CB VAL A 137 -9.635 7.864 11.666 1.00 13.08 C ATOM 298 CG1 VAL A 137 -9.101 6.803 10.710 1.00 16.74 C ATOM 299 CG2 VAL A 137 -10.071 9.090 10.887 1.00 15.31 C ATOM 300 H VAL A 137 -10.715 9.111 13.689 1.00 0.00 H ATOM 301 N VAL A 138 -10.855 4.900 12.785 1.00 12.47 N ATOM 302 CA VAL A 138 -10.446 3.601 13.313 1.00 15.41 C ATOM 303 C VAL A 138 -9.229 3.112 12.539 1.00 14.37 C ATOM 304 O VAL A 138 -8.188 2.803 13.132 1.00 19.00 O ATOM 305 CB VAL A 138 -11.587 2.569 13.241 1.00 16.86 C ATOM 306 CG1 VAL A 138 -11.058 1.173 13.595 1.00 19.71 C ATOM 307 CG2 VAL A 138 -12.720 2.957 14.159 1.00 16.69 C ATOM 308 H VAL A 138 -11.534 4.920 11.998 1.00 0.00 H ATOM 309 N GLY A 139 -9.346 3.009 11.222 1.00 15.55 N ATOM 310 CA GLY A 139 -8.225 2.552 10.424 1.00 16.20 C ATOM 311 C GLY A 139 -8.627 2.320 8.988 1.00 18.64 C ATOM 312 O GLY A 139 -9.786 2.489 8.603 1.00 17.51 O ATOM 313 H GLY A 139 -10.244 3.257 10.760 1.00 0.00 H ATOM 314 N GLU A 140 -7.637 1.929 8.196 1.00 16.38 N ATOM 315 CA GLU A 140 -7.833 1.647 6.785 1.00 15.67 C ATOM 316 C GLU A 140 -8.250 0.192 6.623 1.00 15.39 C ATOM 317 O GLU A 140 -7.736 -0.696 7.312 1.00 18.64 O ATOM 318 CB GLU A 140 -6.542 1.899 6.001 1.00 21.55 C ATOM 319 CG GLU A 140 -6.693 1.654 4.506 1.00 20.82 C ATOM 320 CD GLU A 140 -5.444 1.998 3.726 1.00 36.89 C ATOM 321 OE1 GLU A 140 -4.639 2.820 4.217 1.00 43.98 O ATOM 322 OE2 GLU A 140 -5.272 1.450 2.619 1.00 34.69 O ATOM 323 H GLU A 140 -6.685 1.820 8.601 1.00 0.00 H ATOM 324 N VAL A 141 -9.186 -0.050 5.712 1.00 14.08 N ATOM 325 CA VAL A 141 -9.691 -1.387 5.445 1.00 13.76 C ATOM 326 C VAL A 141 -9.301 -1.869 4.052 1.00 15.36 C ATOM 327 O VAL A 141 -9.015 -3.056 3.855 1.00 16.54 O ATOM 328 CB VAL A 141 -11.221 -1.441 5.652 1.00 15.72 C ATOM 329 CG1 VAL A 141 -11.773 -2.797 5.294 1.00 15.42 C ATOM 330 CG2 VAL A 141 -11.575 -1.069 7.099 1.00 18.85 C ATOM 331 H VAL A 141 -9.573 0.748 5.169 1.00 0.00 H ATOM 332 N GLU A 142 -9.290 -0.966 3.080 1.00 13.13 N ATOM 333 CA GLU A 142 -9.003 -1.272 1.686 1.00 14.36 C ATOM 334 C GLU A 142 -8.575 0.043 1.060 1.00 15.17 C ATOM 335 O GLU A 142 -8.861 1.111 1.603 1.00 14.27 O ATOM 336 CB GLU A 142 -10.262 -1.836 1.001 1.00 16.74 C ATOM 337 CG GLU A 142 -10.053 -2.355 -0.404 1.00 17.59 C ATOM 338 CD GLU A 142 -11.245 -3.118 -0.923 1.00 17.16 C ATOM 339 OE1 GLU A 142 -12.344 -3.033 -0.316 1.00 14.52 O ATOM 340 OE2 GLU A 142 -11.094 -3.807 -1.957 1.00 18.43 O ATOM 341 H GLU A 142 -9.499 0.022 3.329 1.00 0.00 H ATOM 342 N GLU A 143 -7.876 -0.027 -0.071 1.00 15.21 N ATOM 343 CA GLU A 143 -7.508 1.211 -0.748 1.00 17.81 C ATOM 344 C GLU A 143 -8.757 2.049 -0.999 1.00 13.96 C ATOM 345 O GLU A 143 -9.722 1.579 -1.603 1.00 14.58 O ATOM 346 CB GLU A 143 -6.805 0.894 -2.071 1.00 20.77 C ATOM 347 CG GLU A 143 -6.192 2.114 -2.742 1.00 21.22 C ATOM 348 H GLU A 143 -7.597 -0.948 -0.465 1.00 0.00 H ATOM 349 N GLY A 144 -8.747 3.285 -0.502 1.00 14.83 N ATOM 350 CA GLY A 144 -9.875 4.185 -0.653 1.00 14.16 C ATOM 351 C GLY A 144 -10.965 4.080 0.396 1.00 12.12 C ATOM 352 O GLY A 144 -11.965 4.801 0.290 1.00 13.04 O ATOM 353 H GLY A 144 -7.904 3.615 0.010 1.00 0.00 H ATOM 354 N TRP A 145 -10.808 3.230 1.412 1.00 12.68 N ATOM 355 CA TRP A 145 -11.898 2.920 2.332 1.00 11.57 C ATOM 356 C TRP A 145 -11.370 2.811 3.752 1.00 12.05 C ATOM 357 O TRP A 145 -10.512 1.967 4.040 1.00 14.23 O ATOM 358 CB TRP A 145 -12.632 1.632 1.902 1.00 12.19 C ATOM 359 CG TRP A 145 -13.462 1.937 0.715 1.00 12.51 C ATOM 360 CD1 TRP A 145 -13.093 1.842 -0.604 1.00 13.80 C ATOM 361 CD2 TRP A 145 -14.774 2.508 0.727 1.00 11.97 C ATOM 362 NE1 TRP A 145 -14.106 2.315 -1.410 1.00 13.56 N ATOM 363 CE2 TRP A 145 -15.149 2.724 -0.616 1.00 12.69 C ATOM 364 CE3 TRP A 145 -15.675 2.846 1.746 1.00 12.38 C ATOM 365 CZ2 TRP A 145 -16.396 3.239 -0.968 1.00 14.24 C ATOM 366 CZ3 TRP A 145 -16.914 3.372 1.391 1.00 12.50 C ATOM 367 CH2 TRP A 145 -17.256 3.569 0.044 1.00 12.26 C ATOM 368 HE1 TRP A 145 -14.084 2.356 -2.449 1.00 0.00 H ATOM 369 H TRP A 145 -9.883 2.776 1.553 1.00 0.00 H ATOM 370 N TRP A 146 -11.865 3.676 4.630 1.00 11.83 N ATOM 371 CA TRP A 146 -11.505 3.681 6.038 1.00 11.53 C ATOM 372 C TRP A 146 -12.740 3.351 6.858 1.00 11.40 C ATOM 373 O TRP A 146 -13.876 3.494 6.396 1.00 11.35 O ATOM 374 CB TRP A 146 -11.007 5.064 6.496 1.00 13.63 C ATOM 375 CG TRP A 146 -9.714 5.542 5.882 1.00 15.69 C ATOM 376 CD1 TRP A 146 -8.891 4.840 5.061 1.00 14.64 C ATOM 377 CD2 TRP A 146 -9.104 6.835 6.060 1.00 16.59 C ATOM 378 NE1 TRP A 146 -7.798 5.611 4.715 1.00 17.43 N ATOM 379 CE2 TRP A 146 -7.913 6.842 5.309 1.00 17.17 C ATOM 380 CE3 TRP A 146 -9.461 7.986 6.773 1.00 17.39 C ATOM 381 CZ2 TRP A 146 -7.066 7.959 5.255 1.00 19.05 C ATOM 382 CZ3 TRP A 146 -8.621 9.092 6.721 1.00 21.26 C ATOM 383 CH2 TRP A 146 -7.436 9.066 5.966 1.00 19.20 C ATOM 384 HE1 TRP A 146 -7.014 5.307 4.103 1.00 0.00 H ATOM 385 H TRP A 146 -12.545 4.386 4.292 1.00 0.00 H ATOM 386 N GLU A 147 -12.508 2.895 8.083 1.00 12.38 N ATOM 387 CA GLU A 147 -13.561 2.735 9.073 1.00 12.17 C ATOM 388 C GLU A 147 -13.433 3.849 10.097 1.00 10.87 C ATOM 389 O GLU A 147 -12.316 4.250 10.455 1.00 11.97 O ATOM 390 CB GLU A 147 -13.493 1.372 9.773 1.00 12.26 C ATOM 391 CG GLU A 147 -14.720 1.097 10.650 1.00 14.54 C ATOM 392 CD GLU A 147 -14.693 -0.270 11.321 1.00 16.01 C ATOM 393 OE1 GLU A 147 -13.656 -0.622 11.916 1.00 17.27 O ATOM 394 OE2 GLU A 147 -15.724 -0.971 11.258 1.00 18.44 O ATOM 395 H GLU A 147 -11.534 2.642 8.345 1.00 0.00 H ATOM 396 N GLY A 148 -14.576 4.355 10.552 1.00 10.94 N ATOM 397 CA GLY A 148 -14.577 5.434 11.521 1.00 12.27 C ATOM 398 C GLY A 148 -15.887 5.483 12.273 1.00 10.95 C ATOM 399 O GLY A 148 -16.820 4.724 11.996 1.00 12.35 O ATOM 400 H GLY A 148 -15.480 3.972 10.209 1.00 0.00 H ATOM 401 N VAL A 149 -15.944 6.393 13.241 1.00 12.05 N ATOM 402 CA VAL A 149 -17.120 6.591 14.079 1.00 12.25 C ATOM 403 C VAL A 149 -17.623 8.009 13.868 1.00 13.14 C ATOM 404 O VAL A 149 -16.858 8.972 13.994 1.00 12.96 O ATOM 405 CB VAL A 149 -16.817 6.348 15.567 1.00 14.12 C ATOM 406 CG1 VAL A 149 -18.120 6.389 16.382 1.00 16.35 C ATOM 407 CG2 VAL A 149 -16.074 5.030 15.767 1.00 17.32 C ATOM 408 H VAL A 149 -15.110 6.992 13.408 1.00 0.00 H ATOM 409 N LEU A 150 -18.908 8.137 13.556 1.00 12.78 N ATOM 410 CA LEU A 150 -19.513 9.426 13.253 1.00 12.57 C ATOM 411 C LEU A 150 -20.888 9.445 13.896 1.00 16.57 C ATOM 412 O LEU A 150 -21.740 8.616 13.563 1.00 15.54 O ATOM 413 CB LEU A 150 -19.613 9.620 11.735 1.00 13.22 C ATOM 414 CG LEU A 150 -20.300 10.882 11.225 1.00 13.02 C ATOM 415 CD1 LEU A 150 -19.670 12.134 11.842 1.00 17.56 C ATOM 416 CD2 LEU A 150 -20.201 10.918 9.705 1.00 15.64 C ATOM 417 H LEU A 150 -19.504 7.285 13.527 1.00 0.00 H ATOM 418 N ASN A 151 -21.084 10.369 14.839 1.00 17.79 N ATOM 419 CA ASN A 151 -22.358 10.514 15.541 1.00 22.40 C ATOM 420 C ASN A 151 -22.791 9.201 16.186 1.00 23.43 C ATOM 421 O ASN A 151 -23.963 8.820 16.148 1.00 26.37 O ATOM 422 CB ASN A 151 -23.427 11.094 14.617 1.00 22.06 C ATOM 423 CG ASN A 151 -23.028 12.454 14.066 1.00 29.55 C ATOM 424 OD1 ASN A 151 -22.269 13.189 14.699 1.00 34.10 O ATOM 425 ND2 ASN A 151 -23.521 12.789 12.879 1.00 37.72 N ATOM 426 HD22 ASN A 151 -24.159 12.138 12.378 1.00 0.00 H ATOM 427 HD21 ASN A 151 -23.269 13.702 12.450 1.00 0.00 H ATOM 428 H ASN A 151 -20.302 11.009 15.083 1.00 0.00 H ATOM 429 N GLY A 152 -21.822 8.495 16.770 1.00 22.02 N ATOM 430 CA GLY A 152 -22.073 7.269 17.488 1.00 23.56 C ATOM 431 C GLY A 152 -22.047 6.004 16.655 1.00 23.77 C ATOM 432 O GLY A 152 -21.940 4.911 17.224 1.00 28.07 O ATOM 433 H GLY A 152 -20.844 8.843 16.705 1.00 0.00 H ATOM 434 N LYS A 153 -22.140 6.113 15.331 1.00 16.95 N ATOM 435 CA LYS A 153 -22.212 4.953 14.451 1.00 15.61 C ATOM 436 C LYS A 153 -20.828 4.641 13.895 1.00 13.90 C ATOM 437 O LYS A 153 -20.117 5.543 13.444 1.00 14.00 O ATOM 438 CB LYS A 153 -23.164 5.227 13.288 1.00 17.33 C ATOM 439 CG LYS A 153 -23.434 4.007 12.422 1.00 19.34 C ATOM 440 CD LYS A 153 -24.551 4.260 11.418 1.00 26.66 C ATOM 441 CE LYS A 153 -25.026 2.951 10.806 1.00 34.84 C ATOM 442 NZ LYS A 153 -26.024 3.164 9.725 1.00 27.49 N ATOM 443 HZ1 LYS A 153 -26.853 3.659 10.112 1.00 0.00 H ATOM 444 HZ2 LYS A 153 -25.598 3.738 8.970 1.00 0.00 H ATOM 445 HZ3 LYS A 153 -26.317 2.244 9.339 1.00 0.00 H ATOM 446 H LYS A 153 -22.162 7.063 14.908 1.00 0.00 H ATOM 447 N THR A 154 -20.449 3.364 13.935 1.00 14.07 N ATOM 448 CA THR A 154 -19.214 2.893 13.315 1.00 12.90 C ATOM 449 C THR A 154 -19.521 2.390 11.913 1.00 14.77 C ATOM 450 O THR A 154 -20.480 1.634 11.715 1.00 15.57 O ATOM 451 CB THR A 154 -18.597 1.769 14.145 1.00 15.37 C ATOM 452 OG1 THR A 154 -18.237 2.267 15.437 1.00 18.26 O ATOM 453 CG2 THR A 154 -17.353 1.218 13.460 1.00 15.74 C ATOM 454 HG1 THR A 154 -19.046 2.608 15.895 1.00 0.00 H ATOM 455 H THR A 154 -21.056 2.677 14.426 1.00 0.00 H ATOM 456 N GLY A 155 -18.717 2.796 10.941 1.00 12.46 N ATOM 457 CA GLY A 155 -18.954 2.316 9.595 1.00 12.12 C ATOM 458 C GLY A 155 -17.859 2.730 8.641 1.00 10.80 C ATOM 459 O GLY A 155 -16.897 3.422 9.005 1.00 11.67 O ATOM 460 H GLY A 155 -17.931 3.447 11.141 1.00 0.00 H ATOM 461 N MET A 156 -18.044 2.312 7.391 1.00 11.19 N ATOM 462 CA MET A 156 -17.078 2.487 6.316 1.00 10.95 C ATOM 463 C MET A 156 -17.334 3.773 5.543 1.00 10.37 C ATOM 464 O MET A 156 -18.478 4.196 5.369 1.00 10.89 O ATOM 465 CB MET A 156 -17.194 1.300 5.350 1.00 12.80 C ATOM 466 CG MET A 156 -16.893 -0.046 6.004 1.00 13.14 C ATOM 467 SD MET A 156 -15.197 -0.103 6.635 1.00 13.79 S ATOM 468 CE MET A 156 -14.313 0.392 5.155 1.00 16.69 C ATOM 469 H MET A 156 -18.937 1.829 7.168 1.00 0.00 H ATOM 470 N PHE A 157 -16.259 4.387 5.062 1.00 10.78 N ATOM 471 CA PHE A 157 -16.424 5.616 4.300 1.00 11.41 C ATOM 472 C PHE A 157 -15.279 5.788 3.314 1.00 10.00 C ATOM 473 O PHE A 157 -14.172 5.282 3.550 1.00 11.34 O ATOM 474 CB PHE A 157 -16.537 6.844 5.217 1.00 11.43 C ATOM 475 CG PHE A 157 -15.306 7.127 6.038 1.00 10.72 C ATOM 476 CD1 PHE A 157 -14.337 8.029 5.589 1.00 11.48 C ATOM 477 CD2 PHE A 157 -15.125 6.531 7.283 1.00 12.73 C ATOM 478 CE1 PHE A 157 -13.222 8.314 6.360 1.00 13.57 C ATOM 479 CE2 PHE A 157 -14.012 6.806 8.049 1.00 12.76 C ATOM 480 CZ PHE A 157 -13.060 7.699 7.593 1.00 13.14 C ATOM 481 H PHE A 157 -15.310 3.994 5.228 1.00 0.00 H ATOM 482 N PRO A 158 -15.513 6.485 2.200 1.00 10.82 N ATOM 483 CA PRO A 158 -14.466 6.665 1.183 1.00 11.98 C ATOM 484 C PRO A 158 -13.458 7.708 1.645 1.00 11.06 C ATOM 485 O PRO A 158 -13.804 8.865 1.904 1.00 11.15 O ATOM 486 CB PRO A 158 -15.252 7.138 -0.051 1.00 12.20 C ATOM 487 CG PRO A 158 -16.487 7.772 0.513 1.00 12.85 C ATOM 488 CD PRO A 158 -16.827 6.964 1.739 1.00 12.79 C ATOM 489 N SER A 159 -12.194 7.294 1.735 1.00 12.26 N ATOM 490 CA SER A 159 -11.165 8.171 2.282 1.00 11.29 C ATOM 491 C SER A 159 -10.843 9.350 1.370 1.00 12.08 C ATOM 492 O SER A 159 -10.317 10.366 1.849 1.00 13.43 O ATOM 493 CB SER A 159 -9.899 7.365 2.571 1.00 13.67 C ATOM 494 OG SER A 159 -9.444 6.725 1.391 1.00 16.61 O ATOM 495 HG SER A 159 -9.243 7.408 0.703 1.00 0.00 H ATOM 496 H SER A 159 -11.940 6.338 1.413 1.00 0.00 H ATOM 497 N ASN A 160 -11.151 9.255 0.078 1.00 12.05 N ATOM 498 CA ASN A 160 -10.926 10.382 -0.815 1.00 11.70 C ATOM 499 C ASN A 160 -12.014 11.439 -0.720 1.00 13.84 C ATOM 500 O ASN A 160 -11.983 12.411 -1.485 1.00 14.94 O ATOM 501 CB ASN A 160 -10.689 9.924 -2.261 1.00 14.77 C ATOM 502 CG ASN A 160 -11.847 9.118 -2.837 1.00 14.63 C ATOM 503 OD1 ASN A 160 -12.596 8.456 -2.120 1.00 14.05 O ATOM 504 ND2 ASN A 160 -11.986 9.170 -4.157 1.00 17.53 N ATOM 505 HD22 ASN A 160 -11.331 9.742 -4.727 1.00 0.00 H ATOM 506 HD21 ASN A 160 -12.750 8.638 -4.621 1.00 0.00 H ATOM 507 H ASN A 160 -11.554 8.372 -0.295 1.00 0.00 H ATOM 508 N PHE A 161 -12.958 11.285 0.206 1.00 12.47 N ATOM 509 CA PHE A 161 -13.938 12.315 0.514 1.00 11.69 C ATOM 510 C PHE A 161 -13.540 13.138 1.734 1.00 10.95 C ATOM 511 O PHE A 161 -14.326 13.975 2.187 1.00 12.02 O ATOM 512 CB PHE A 161 -15.319 11.689 0.745 1.00 12.19 C ATOM 513 CG PHE A 161 -16.026 11.237 -0.515 1.00 11.68 C ATOM 514 CD1 PHE A 161 -17.347 11.610 -0.748 1.00 12.91 C ATOM 515 CD2 PHE A 161 -15.398 10.410 -1.433 1.00 13.00 C ATOM 516 CE1 PHE A 161 -18.021 11.175 -1.891 1.00 14.10 C ATOM 517 CE2 PHE A 161 -16.058 9.973 -2.581 1.00 13.25 C ATOM 518 CZ PHE A 161 -17.375 10.356 -2.810 1.00 13.84 C ATOM 519 H PHE A 161 -12.997 10.389 0.732 1.00 0.00 H ATOM 520 N ILE A 162 -12.326 12.925 2.261 1.00 12.22 N ATOM 521 CA ILE A 162 -11.839 13.584 3.472 1.00 12.30 C ATOM 522 C ILE A 162 -10.963 14.772 3.090 1.00 12.53 C ATOM 523 O ILE A 162 -10.214 14.718 2.109 1.00 13.37 O ATOM 524 CB ILE A 162 -11.071 12.563 4.336 1.00 12.02 C ATOM 525 CG1 ILE A 162 -12.005 11.405 4.714 1.00 11.44 C ATOM 526 CG2 ILE A 162 -10.456 13.219 5.569 1.00 14.71 C ATOM 527 CD1 ILE A 162 -13.288 11.843 5.392 1.00 13.24 C ATOM 528 H ILE A 162 -11.694 12.253 1.781 1.00 0.00 H ATOM 529 N LYS A 163 -11.071 15.851 3.860 1.00 12.18 N ATOM 530 CA LYS A 163 -10.305 17.067 3.591 1.00 13.29 C ATOM 531 C LYS A 163 -8.840 16.915 3.995 1.00 14.17 C ATOM 532 O LYS A 163 -8.527 16.458 5.099 1.00 14.27 O ATOM 533 CB LYS A 163 -10.922 18.245 4.341 1.00 15.80 C ATOM 534 CG LYS A 163 -10.304 19.599 3.978 1.00 20.35 C ATOM 535 CD LYS A 163 -11.162 20.761 4.444 1.00 23.38 C ATOM 536 CE LYS A 163 -10.624 22.080 3.903 1.00 28.43 C ATOM 537 NZ LYS A 163 -10.443 22.042 2.424 1.00 31.92 N ATOM 538 HZ1 LYS A 163 -9.769 21.289 2.178 1.00 0.00 H ATOM 539 HZ2 LYS A 163 -11.359 21.852 1.969 1.00 0.00 H ATOM 540 HZ3 LYS A 163 -10.076 22.958 2.097 1.00 0.00 H ATOM 541 H LYS A 163 -11.717 15.829 4.675 1.00 0.00 H ATOM 542 N GLU A 164 -7.943 17.307 3.097 1.00 14.50 N ATOM 543 CA GLU A 164 -6.534 17.399 3.449 1.00 16.26 C ATOM 544 C GLU A 164 -6.280 18.644 4.298 1.00 15.35 C ATOM 545 O GLU A 164 -6.921 19.684 4.127 1.00 17.22 O ATOM 546 CB GLU A 164 -5.678 17.466 2.186 1.00 18.66 C ATOM 547 CG GLU A 164 -4.182 17.532 2.463 1.00 20.30 C ATOM 548 CD GLU A 164 -3.361 17.728 1.209 1.00 27.25 C ATOM 549 OE1 GLU A 164 -2.149 18.006 1.323 1.00 30.73 O ATOM 550 OE2 GLU A 164 -3.928 17.600 0.106 1.00 36.55 O ATOM 551 H GLU A 164 -8.250 17.550 2.134 1.00 0.00 H ATOM 552 N LEU A 165 -5.339 18.525 5.234 1.00 16.12 N ATOM 553 CA LEU A 165 -4.917 19.663 6.046 1.00 17.52 C ATOM 554 C LEU A 165 -3.851 20.441 5.285 1.00 23.96 C ATOM 555 O LEU A 165 -2.724 19.960 5.108 1.00 24.20 O ATOM 556 CB LEU A 165 -4.361 19.199 7.389 1.00 18.46 C ATOM 557 CG LEU A 165 -5.310 18.439 8.313 1.00 18.37 C ATOM 558 CD1 LEU A 165 -4.533 17.798 9.444 1.00 24.28 C ATOM 559 CD2 LEU A 165 -6.376 19.376 8.860 1.00 28.10 C ATOM 560 H LEU A 165 -4.894 17.598 5.390 1.00 0.00 H ATOM 561 N SER A 166 -4.199 21.652 4.862 1.00 29.64 N ATOM 562 CA SER A 166 -3.307 22.535 4.116 1.00 33.47 C ATOM 563 C SER A 166 -3.370 23.951 4.676 1.00 33.57 C ATOM 564 O SER A 166 -3.575 24.931 3.954 1.00 33.03 O ATOM 565 CB SER A 166 -3.631 22.505 2.626 1.00 32.27 C ATOM 566 OG SER A 166 -3.492 21.193 2.108 1.00 44.02 O ATOM 567 HG SER A 166 -3.707 21.197 1.142 1.00 0.00 H ATOM 568 H SER A 166 -5.160 21.989 5.074 1.00 0.00 H ATOM 569 N GLY A 167 -3.208 24.069 5.990 1.00 26.63 N ATOM 570 CA GLY A 167 -3.130 25.365 6.640 1.00 28.40 C ATOM 571 C GLY A 167 -4.479 26.013 6.866 1.00 41.24 C ATOM 572 O GLY A 167 -5.521 25.385 6.662 1.00 35.63 O ATOM 573 OXT GLY A 167 -4.559 27.177 7.264 1.00 48.09 O ATOM 574 H GLY A 167 -3.135 23.208 6.569 1.00 0.00 H TER 575 GLY A 167 HETATM 576 O HOH 1 -23.199 17.941 3.122 1.00 19.02 O HETATM 577 O HOH 2 -9.556 7.120 16.819 1.00 29.73 O HETATM 578 O HOH 3 -23.690 -4.616 7.342 1.00 25.72 O HETATM 579 O HOH 4 -22.692 -4.140 3.398 1.00 21.97 O HETATM 580 O HOH 5 -0.068 18.539 0.041 1.00 39.99 O HETATM 581 O HOH 6 -18.275 14.466 14.862 1.00 27.14 O HETATM 582 O HOH 7 -28.863 -4.695 5.925 1.00 28.26 O HETATM 583 O HOH 8 -25.761 -0.202 -3.519 1.00 30.37 O HETATM 584 O HOH 9 -16.036 1.327 16.482 1.00 30.16 O HETATM 585 O HOH 10 -22.070 0.492 9.954 1.00 27.44 O HETATM 586 O HOH 11 -22.579 20.615 5.915 1.00 33.93 O HETATM 587 O HOH 12 -20.142 2.957 17.243 1.00 26.76 O HETATM 588 O HOH 13 -9.642 19.355 8.059 1.00 17.97 O HETATM 589 O HOH 14 -25.140 4.857 7.858 1.00 26.69 O HETATM 590 O HOH 15 -23.405 12.317 8.438 1.00 22.10 O HETATM 591 O HOH 16 -21.832 15.706 12.328 1.00 33.36 O HETATM 592 O HOH 17 -16.451 20.901 11.004 1.00 21.76 O HETATM 593 O HOH 18 -25.794 14.161 10.891 1.00 36.64 O HETATM 594 O HOH 19 -16.602 -2.765 13.076 1.00 28.57 O HETATM 595 O HOH 20 -19.477 1.359 -1.993 1.00 16.31 O HETATM 596 O HOH 21 -23.953 1.513 8.215 1.00 27.01 O HETATM 597 O HOH 22 -10.502 13.241 -3.606 1.00 30.74 O HETATM 598 O HOH 23 -9.340 16.389 7.697 1.00 13.87 O HETATM 599 O HOH 24 -23.490 8.501 11.471 1.00 18.54 O HETATM 600 O HOH 25 -3.674 7.639 21.407 1.00 43.25 O HETATM 601 O HOH 26 -21.505 18.525 8.909 1.00 26.84 O HETATM 602 O HOH 27 -19.413 12.326 15.811 1.00 31.05 O HETATM 603 O HOH 28 -23.358 -4.915 0.962 1.00 25.14 O HETATM 604 O HOH 29 -9.127 -3.003 -3.714 1.00 30.35 O HETATM 605 O HOH 30 -6.513 22.980 5.746 1.00 26.10 O HETATM 606 O HOH 31 -8.903 12.899 0.502 1.00 31.54 O HETATM 607 O HOH 32 -1.246 17.771 3.920 1.00 19.06 O HETATM 608 O HOH 33 -23.474 6.874 -3.006 1.00 21.95 O HETATM 609 O HOH 34 -17.684 -3.416 7.435 1.00 14.84 O HETATM 610 O HOH 35 -27.802 2.214 -0.203 1.00 36.25 O HETATM 611 O HOH 36 -12.848 5.693 -2.254 1.00 16.35 O HETATM 612 O HOH 37 -23.795 10.474 9.403 1.00 23.17 O HETATM 613 O HOH 38 -0.116 20.944 4.956 1.00 25.75 O HETATM 614 O HOH 39 -8.047 8.061 -0.627 1.00 33.61 O HETATM 615 O HOH 40 -19.402 9.515 17.755 1.00 36.82 O HETATM 616 O HOH 41 -25.588 2.224 5.928 1.00 22.36 O HETATM 617 O HOH 42 -25.617 -3.631 1.808 1.00 21.39 O HETATM 618 O HOH 43 -26.565 10.836 9.094 1.00 26.13 O HETATM 619 O HOH 44 -17.691 -1.250 9.249 1.00 15.92 O HETATM 620 O HOH 45 -16.977 11.193 15.738 1.00 34.31 O HETATM 621 O HOH 46 -15.430 20.807 1.973 1.00 29.15 O HETATM 622 O HOH 47 -15.213 20.431 4.802 1.00 27.88 O HETATM 623 O HOH 48 -14.996 17.250 17.028 1.00 20.19 O HETATM 624 O HOH 49 -5.118 1.691 9.502 1.00 30.09 O HETATM 625 O HOH 50 -28.026 6.033 0.192 1.00 13.37 O HETATM 626 O HOH 51 -25.122 13.730 3.070 1.00 13.04 O HETATM 627 O HOH 52 -25.338 6.275 -2.624 1.00 20.94 O HETATM 628 O HOH 53 -11.708 15.075 -0.313 1.00 18.29 O HETATM 629 O HOH 54 -7.203 4.927 1.310 1.00 23.00 O HETATM 630 O HOH 55 -22.330 1.325 14.710 1.00 24.38 O HETATM 631 O HOH 56 -16.431 22.467 6.272 1.00 35.50 O HETATM 632 O HOH 57 -26.794 0.721 8.269 1.00 39.56 O HETATM 633 O HOH 58 -6.756 -2.423 -1.270 1.00 22.66 O HETATM 634 O HOH 59 -7.454 10.509 2.345 1.00 31.11 O HETATM 635 O HOH 60 -20.572 -5.227 4.404 1.00 20.88 O HETATM 636 O HOH 61 -6.434 18.210 -1.279 1.00 42.92 O HETATM 637 O HOH 62 -8.782 18.355 0.492 1.00 25.73 O HETATM 638 O HOH 63 -19.243 16.285 13.203 1.00 21.66 O HETATM 639 O HOH 64 -5.600 -1.470 2.806 1.00 33.57 O HETATM 640 O HOH 65 -7.129 13.677 21.993 1.00 27.64 O HETATM 641 O HOH 66 -10.485 11.309 -5.574 1.00 28.45 O HETATM 642 O HOH 67 -24.110 7.132 9.035 1.00 18.26 O HETATM 643 O HOH 68 -23.646 4.512 19.652 1.00 40.60 O HETATM 644 O HOH 69 -12.922 20.914 1.150 1.00 35.11 O HETATM 645 O HOH 70 -5.608 -2.277 5.733 1.00 37.80 O HETATM 646 O HOH 71 -21.587 13.363 17.746 1.00 33.11 O HETATM 647 O HOH 72 -20.596 -1.179 13.134 1.00 31.72 O HETATM 648 O HOH 73 2.645 14.035 26.719 1.00 40.97 O HETATM 649 O HOH 74 -18.777 2.774 -5.985 1.00 32.88 O HETATM 650 O HOH 75 -25.347 4.672 -4.221 1.00 19.78 O HETATM 651 O HOH 76 -8.659 20.642 15.417 1.00 37.93 O HETATM 652 O HOH 77 -27.289 -5.573 2.089 1.00 36.69 O HETATM 653 O HOH 78 -27.028 0.326 1.606 1.00 30.82 O HETATM 654 O HOH 79 -27.651 -2.961 2.297 1.00 38.12 O HETATM 655 O HOH 80 -20.179 -1.681 10.525 1.00 27.86 O HETATM 656 O HOH 81 -19.520 18.926 12.880 1.00 27.34 O HETATM 657 O HOH 82 -27.413 1.447 3.869 1.00 25.62 O HETATM 658 O HOH 83 -7.439 23.241 9.054 1.00 31.83 O HETATM 659 O HOH 84 -28.247 -0.832 -1.436 1.00 42.09 O HETATM 660 O HOH 85 -25.878 8.756 12.858 1.00 43.10 O HETATM 661 O HOH 86 -8.555 21.732 6.988 1.00 26.92 O HETATM 662 O HOH 87 -6.359 5.822 8.292 1.00 32.90 O HETATM 663 O HOH 88 -21.039 20.025 10.839 1.00 34.00 O HETATM 664 O HOH 89 -14.175 17.331 20.048 1.00 29.38 O HETATM 665 O HOH 90 -17.145 23.025 9.034 1.00 37.64 O HETATM 666 O HOH 91 -21.368 -5.812 6.774 1.00 25.88 O HETATM 667 O HOH 92 -29.750 -3.183 4.022 1.00 30.62 O HETATM 668 O HOH 93 -17.389 20.659 13.428 1.00 24.72 O HETATM 669 O HOH 94 -10.590 17.431 -0.964 1.00 36.17 O HETATM 670 O HOH 95 -27.083 2.614 13.714 1.00 36.70 O HETATM 671 O HOH 96 -4.744 14.974 22.495 1.00 35.02 O HETATM 672 O HOH 97 -16.318 14.939 17.124 1.00 36.44 O HETATM 673 O HOH 98 -11.458 23.379 -1.574 1.00 30.35 O HETATM 674 O HOH 99 -26.760 7.836 9.603 1.00 27.42 O HETATM 675 O HOH 100 -24.446 19.174 8.339 1.00 35.41 O HETATM 676 O HOH 101 -16.555 19.169 15.959 1.00 28.92 O HETATM 677 O HOH 102 -28.993 -1.260 8.420 1.00 34.62 O HETATM 678 O HOH 103 -12.059 8.052 23.505 1.00 46.08 O HETATM 679 O HOH 104 -27.538 5.973 6.353 1.00 34.20 O HETATM 680 O HOH 105 -21.069 6.430 21.594 1.00 43.23 O HETATM 681 O HOH 106 -10.066 15.121 -4.968 1.00 28.90 O HETATM 682 O HOH 107 -29.564 -0.460 5.670 1.00 34.58 O HETATM 683 O HOH 108 -8.469 2.494 24.711 1.00 45.35 O HETATM 684 O HOH 109 -15.900 -8.340 12.222 1.00 28.46 O HETATM 685 O HOH 110 -13.975 14.296 -10.041 1.00 36.58 O HETATM 686 O HOH 111 -17.427 4.210 -7.756 1.00 29.82 O HETATM 687 O HOH 112 -13.866 -1.787 1.737 1.00 12.91 O HETATM 688 O HOH 113 -10.311 -0.213 -3.635 1.00 20.40 O HETATM 689 O HOH 114 -20.832 17.129 -1.503 1.00 13.80 O HETATM 690 O HOH 115 -17.513 1.523 -4.059 1.00 20.52 O HETATM 691 O HOH 116 -19.202 -5.439 8.432 1.00 19.23 O HETATM 692 O HOH 117 -11.650 6.834 -7.634 1.00 30.73 O HETATM 693 O HOH 118 -8.343 -0.922 10.274 1.00 30.32 O HETATM 694 O HOH 119 -11.696 1.520 -7.839 1.00 27.79 O HETATM 695 O HOH 120 -18.808 11.093 -8.473 1.00 17.47 O HETATM 696 O HOH 121 -12.201 11.080 -7.670 1.00 25.68 O HETATM 697 O HOH 122 -10.181 -3.225 -6.767 1.00 40.12 O HETATM 698 O HOH 123 -16.668 4.112 -10.941 1.00 38.70 O HETATM 699 N ARG A 124 -17.289 16.290 -8.373 1.00 0.24 N HETATM 700 CA ARG A 124 -17.418 15.360 -7.253 1.00 0.07 C HETATM 701 C ARG A 124 -16.363 14.256 -7.353 1.00 0.23 C HETATM 702 O ARG A 124 -16.035 13.809 -8.451 1.00 -0.39 O HETATM 703 N ARG A 124 -15.844 13.798 -6.217 1.00 -0.25 N HETATM 704 CA ARG A 124 -14.914 12.663 -6.240 1.00 0.13 C HETATM 705 C ARG A 124 -15.649 11.360 -6.524 1.00 0.20 C HETATM 706 O ARG A 124 -16.867 11.256 -6.391 1.00 -0.39 O HETATM 707 N ARG A 124 -14.887 10.354 -6.930 1.00 -0.26 N HETATM 708 CA ARG A 124 -15.422 9.044 -7.294 1.00 0.13 C HETATM 709 C ARG A 124 -14.949 8.030 -6.257 1.00 0.21 C HETATM 710 O ARG A 124 -13.734 7.875 -6.062 1.00 -0.39 O HETATM 711 N ARG A 124 -15.849 7.317 -5.586 1.00 -0.25 N HETATM 712 CA ARG A 124 -15.415 6.277 -4.649 1.00 0.13 C HETATM 713 C ARG A 124 -14.729 5.131 -5.372 1.00 0.20 C HETATM 714 O ARG A 124 -15.098 4.759 -6.488 1.00 -0.39 O HETATM 715 N ARG A 124 -13.726 4.566 -4.710 1.00 -0.26 N HETATM 716 CA ARG A 124 -13.072 3.388 -5.250 1.00 0.13 C HETATM 717 C ARG A 124 -13.939 2.149 -5.031 1.00 0.20 C HETATM 718 O ARG A 124 -14.812 2.104 -4.162 1.00 -0.39 O HETATM 719 N ARG A 124 -13.706 1.134 -5.860 1.00 -0.26 N HETATM 720 CA ARG A 124 -14.425 -0.124 -5.696 1.00 0.13 C HETATM 721 C ARG A 124 -14.106 -0.748 -4.340 1.00 0.20 C HETATM 722 O ARG A 124 -13.019 -0.561 -3.784 1.00 -0.39 O HETATM 723 N ARG A 124 -15.077 -1.488 -3.804 1.00 -0.26 N HETATM 724 CA ARG A 124 -14.973 -2.144 -2.506 1.00 0.13 C HETATM 725 C ARG A 124 -15.117 -3.652 -2.649 1.00 0.20 C HETATM 726 O ARG A 124 -15.949 -4.133 -3.426 1.00 -0.39 O HETATM 727 N ARG A 124 -14.354 -4.381 -1.832 1.00 -0.26 N HETATM 728 CA ARG A 124 -14.509 -5.826 -1.640 1.00 0.14 C HETATM 729 C ARG A 124 -14.451 -6.256 -0.184 1.00 0.21 C HETATM 730 O ARG A 124 -14.933 -7.350 0.144 1.00 -0.39 O HETATM 731 N ARG A 124 -13.853 -5.463 0.695 1.00 -0.26 N HETATM 732 CA ARG A 124 -13.463 -5.891 2.025 1.00 0.13 C HETATM 733 C ARG A 124 -14.389 -5.250 3.048 1.00 0.20 C HETATM 734 O ARG A 124 -14.733 -4.063 2.946 1.00 -0.39 O HETATM 735 N ARG A 124 -14.797 -6.044 4.029 1.00 -0.26 N HETATM 736 CA ARG A 124 -15.705 -5.598 5.073 1.00 0.14 C HETATM 737 C ARG A 124 -15.282 -6.217 6.399 1.00 0.21 C HETATM 738 O ARG A 124 -14.557 -7.213 6.439 1.00 -0.39 O HETATM 739 N ARG A 124 -15.729 -5.612 7.496 1.00 -0.27 N HETATM 740 CA ARG A 124 -15.449 -6.147 8.821 1.00 0.09 C HETATM 741 C ARG A 124 -16.206 -7.439 9.041 1.00 0.06 C HETATM 742 O ARG A 124 -15.670 -8.389 9.630 1.00 -0.57 O HETATM 743 OXT ARG A 124 -17.368 -7.530 8.640 1.00 -0.57 O HETATM 744 CB ARG A 124 -15.857 -5.152 9.907 1.00 -0.01 C HETATM 745 CG ARG A 124 -15.019 -3.919 9.931 1.00 -0.02 C HETATM 746 CD ARG A 124 -13.579 -4.248 10.222 1.00 0.06 C HETATM 747 NE ARG A 124 -12.872 -3.022 10.556 1.00 -0.27 N HETATM 748 CZ ARG A 124 -11.576 -2.820 10.381 1.00 0.29 C HETATM 749 NH1 ARG A 124 -10.809 -3.769 9.866 1.00 -0.28 N HETATM 750 H104 ARG A 124 -9.801 -3.602 9.734 1.00 0.26 H HETATM 751 H105 ARG A 124 -11.220 -4.674 9.598 1.00 0.26 H HETATM 752 NH2 ARG A 124 -11.057 -1.648 10.716 1.00 -0.28 N HETATM 753 H106 ARG A 124 -11.659 -0.914 11.116 1.00 0.26 H HETATM 754 H107 ARG A 124 -10.052 -1.471 10.576 1.00 0.26 H HETATM 755 H103 ARG A 124 -13.423 -2.251 10.960 1.00 0.26 H HETATM 756 H101 ARG A 124 -13.119 -4.709 9.335 1.00 0.07 H HETATM 757 H102 ARG A 124 -13.524 -4.948 11.069 1.00 0.07 H HETATM 758 H99 ARG A 124 -15.398 -3.242 10.711 1.00 0.03 H HETATM 759 H100 ARG A 124 -15.083 -3.422 8.952 1.00 0.03 H HETATM 760 H97 ARG A 124 -15.772 -5.649 10.884 1.00 0.03 H HETATM 761 H98 ARG A 124 -16.903 -4.858 9.735 1.00 0.03 H HETATM 762 H96 ARG A 124 -14.370 -6.343 8.901 1.00 0.07 H HETATM 763 H95 ARG A 124 -16.267 -4.774 7.409 1.00 0.19 H HETATM 764 CB ARG A 124 -17.155 -5.982 4.731 1.00 0.02 C HETATM 765 CG ARG A 124 -17.331 -7.434 4.339 1.00 -0.04 C HETATM 766 CD1 ARG A 124 -17.603 -8.390 5.299 1.00 -0.06 C HETATM 767 CE1 ARG A 124 -17.763 -9.728 4.946 1.00 -0.07 C HETATM 768 CZ ARG A 124 -17.649 -10.110 3.621 1.00 -0.07 C HETATM 769 CE2 ARG A 124 -17.385 -9.179 2.651 1.00 -0.07 C HETATM 770 CD2 ARG A 124 -17.208 -7.839 3.013 1.00 -0.06 C HETATM 771 H91 ARG A 124 -16.972 -7.106 2.250 1.00 0.06 H HETATM 772 H93 ARG A 124 -17.314 -9.478 1.611 1.00 0.06 H HETATM 773 H94 ARG A 124 -17.769 -11.152 3.349 1.00 0.06 H HETATM 774 H92 ARG A 124 -17.977 -10.469 5.708 1.00 0.06 H HETATM 775 H90 ARG A 124 -17.693 -8.095 6.338 1.00 0.06 H HETATM 776 H88 ARG A 124 -17.491 -5.354 3.892 1.00 0.05 H HETATM 777 H89 ARG A 124 -17.783 -5.783 5.612 1.00 0.05 H HETATM 778 H87 ARG A 124 -15.643 -4.503 5.155 1.00 0.08 H HETATM 779 H86 ARG A 124 -14.467 -6.988 4.051 1.00 0.19 H HETATM 780 CB ARG A 124 -11.987 -5.535 2.293 1.00 -0.00 C HETATM 781 CG1 ARG A 124 -11.085 -6.212 1.250 1.00 -0.05 C HETATM 782 CD1 ARG A 124 -9.609 -5.888 1.403 1.00 -0.06 C HETATM 783 H83 ARG A 124 -9.036 -6.409 0.622 1.00 0.02 H HETATM 784 H84 ARG A 124 -9.262 -6.217 2.393 1.00 0.02 H HETATM 785 H85 ARG A 124 -9.460 -4.803 1.304 1.00 0.02 H HETATM 786 H78 ARG A 124 -11.408 -5.886 0.250 1.00 0.03 H HETATM 787 H79 ARG A 124 -11.211 -7.301 1.339 1.00 0.03 H HETATM 788 CG2 ARG A 124 -11.582 -5.943 3.690 1.00 -0.06 C HETATM 789 H80 ARG A 124 -12.239 -5.449 4.421 1.00 0.02 H HETATM 790 H81 ARG A 124 -10.539 -5.643 3.872 1.00 0.02 H HETATM 791 H82 ARG A 124 -11.673 -7.034 3.794 1.00 0.02 H HETATM 792 H77 ARG A 124 -11.869 -4.445 2.202 1.00 0.03 H HETATM 793 H76 ARG A 124 -13.572 -6.984 2.091 1.00 0.08 H HETATM 794 H75 ARG A 124 -13.661 -4.519 0.426 1.00 0.19 H HETATM 795 CB ARG A 124 -13.423 -6.616 -2.391 1.00 0.01 C HETATM 796 CG ARG A 124 -13.212 -6.173 -3.798 1.00 -0.00 C HETATM 797 ND1 ARG A 124 -12.427 -5.089 -4.123 1.00 -0.33 N HETATM 798 CE1 ARG A 124 -12.432 -4.926 -5.434 1.00 0.09 C HETATM 799 NE2 ARG A 124 -13.189 -5.868 -5.969 1.00 -0.28 N HETATM 800 CD2 ARG A 124 -13.691 -6.660 -4.966 1.00 0.03 C HETATM 801 H72 ARG A 124 -14.350 -7.518 -5.088 1.00 0.07 H HETATM 802 H74 ARG A 124 -13.373 -5.989 -6.975 1.00 0.24 H HETATM 803 H73 ARG A 124 -11.902 -4.147 -5.981 1.00 0.12 H HETATM 804 H70 ARG A 124 -13.713 -7.677 -2.403 1.00 0.04 H HETATM 805 H71 ARG A 124 -12.474 -6.502 -1.847 1.00 0.04 H HETATM 806 H69 ARG A 124 -15.492 -6.108 -2.044 1.00 0.08 H HETATM 807 H68 ARG A 124 -13.633 -3.913 -1.320 1.00 0.19 H HETATM 808 CB ARG A 124 -16.118 -1.726 -1.572 1.00 -0.01 C HETATM 809 CG ARG A 124 -16.033 -0.333 -1.038 1.00 -0.02 C HETATM 810 CD ARG A 124 -16.970 -0.156 0.130 1.00 0.06 C HETATM 811 NE ARG A 124 -16.628 -1.028 1.245 1.00 -0.27 N HETATM 812 CZ ARG A 124 -17.474 -1.388 2.199 1.00 0.29 C HETATM 813 NH1 ARG A 124 -18.713 -0.910 2.178 1.00 -0.28 N HETATM 814 H64 ARG A 124 -19.382 -1.181 2.913 1.00 0.26 H HETATM 815 H65 ARG A 124 -19.005 -0.269 1.427 1.00 0.26 H HETATM 816 NH2 ARG A 124 -17.098 -2.193 3.178 1.00 -0.28 N HETATM 817 H66 ARG A 124 -16.138 -2.566 3.198 1.00 0.26 H HETATM 818 H67 ARG A 124 -17.765 -2.447 3.921 1.00 0.26 H HETATM 819 H63 ARG A 124 -15.665 -1.389 1.295 1.00 0.26 H HETATM 820 H61 ARG A 124 -17.994 -0.386 -0.199 1.00 0.07 H HETATM 821 H62 ARG A 124 -16.920 0.889 0.469 1.00 0.07 H HETATM 822 H59 ARG A 124 -16.307 0.377 -1.833 1.00 0.03 H HETATM 823 H60 ARG A 124 -15.003 -0.134 -0.709 1.00 0.03 H HETATM 824 H57 ARG A 124 -16.128 -2.417 -0.717 1.00 0.03 H HETATM 825 H58 ARG A 124 -17.062 -1.819 -2.129 1.00 0.03 H HETATM 826 H56 ARG A 124 -14.002 -1.893 -2.054 1.00 0.08 H HETATM 827 H55 ARG A 124 -15.925 -1.599 -4.322 1.00 0.19 H HETATM 828 CB ARG A 124 -14.039 -1.099 -6.814 1.00 -0.02 C HETATM 829 CG ARG A 124 -14.845 -0.926 -8.091 1.00 -0.06 C HETATM 830 H52 ARG A 124 -14.509 -1.659 -8.839 1.00 0.02 H HETATM 831 H53 ARG A 124 -14.698 0.091 -8.483 1.00 0.02 H HETATM 832 H54 ARG A 124 -15.912 -1.085 -7.876 1.00 0.02 H HETATM 833 H50 ARG A 124 -14.190 -2.124 -6.446 1.00 0.03 H HETATM 834 H51 ARG A 124 -12.976 -0.948 -7.053 1.00 0.03 H HETATM 835 H49 ARG A 124 -15.505 0.075 -5.752 1.00 0.08 H HETATM 836 H48 ARG A 124 -13.037 1.234 -6.596 1.00 0.19 H HETATM 837 CB ARG A 124 -11.700 3.218 -4.611 1.00 -0.00 C HETATM 838 CG ARG A 124 -10.820 4.432 -4.826 1.00 -0.00 C HETATM 839 SD ARG A 124 -9.111 4.142 -4.371 1.00 -0.16 S HETATM 840 CE ARG A 124 -8.734 2.731 -5.408 1.00 -0.02 C HETATM 841 H45 ARG A 124 -7.691 2.422 -5.242 1.00 0.03 H HETATM 842 H46 ARG A 124 -8.871 3.005 -6.464 1.00 0.03 H HETATM 843 H47 ARG A 124 -9.408 1.899 -5.154 1.00 0.03 H HETATM 844 H43 ARG A 124 -11.210 5.261 -4.217 1.00 0.04 H HETATM 845 H44 ARG A 124 -10.858 4.709 -5.890 1.00 0.04 H HETATM 846 H41 ARG A 124 -11.208 2.340 -5.054 1.00 0.03 H HETATM 847 H42 ARG A 124 -11.829 3.060 -3.530 1.00 0.03 H HETATM 848 H40 ARG A 124 -12.936 3.528 -6.333 1.00 0.08 H HETATM 849 H39 ARG A 124 -13.421 4.952 -3.839 1.00 0.19 H HETATM 850 CB ARG A 124 -16.726 5.789 -4.017 1.00 -0.01 C HETATM 851 CG ARG A 124 -17.741 6.867 -4.320 1.00 -0.03 C HETATM 852 CD ARG A 124 -17.312 7.458 -5.631 1.00 0.04 C HETATM 853 H37 ARG A 124 -17.739 6.899 -6.477 1.00 0.05 H HETATM 854 H38 ARG A 124 -17.607 8.515 -5.705 1.00 0.05 H HETATM 855 H35 ARG A 124 -17.735 7.634 -3.531 1.00 0.03 H HETATM 856 H36 ARG A 124 -18.749 6.434 -4.404 1.00 0.03 H HETATM 857 H33 ARG A 124 -16.607 5.666 -2.930 1.00 0.03 H HETATM 858 H34 ARG A 124 -17.036 4.832 -4.463 1.00 0.03 H HETATM 859 H32 ARG A 124 -14.738 6.692 -3.888 1.00 0.08 H HETATM 860 CB ARG A 124 -14.974 8.622 -8.705 1.00 -0.01 C HETATM 861 CG1 ARG A 124 -15.466 7.214 -9.018 1.00 -0.06 C HETATM 862 H26 ARG A 124 -15.138 6.927 -10.028 1.00 0.02 H HETATM 863 H27 ARG A 124 -16.565 7.190 -8.968 1.00 0.02 H HETATM 864 H28 ARG A 124 -15.050 6.508 -8.284 1.00 0.02 H HETATM 865 CG2 ARG A 124 -15.476 9.611 -9.748 1.00 -0.06 C HETATM 866 H29 ARG A 124 -15.110 10.619 -9.503 1.00 0.02 H HETATM 867 H30 ARG A 124 -16.576 9.612 -9.753 1.00 0.02 H HETATM 868 H31 ARG A 124 -15.105 9.317 -10.741 1.00 0.02 H HETATM 869 H25 ARG A 124 -13.874 8.619 -8.733 1.00 0.03 H HETATM 870 H24 ARG A 124 -16.521 9.091 -7.277 1.00 0.08 H HETATM 871 H23 ARG A 124 -13.899 10.499 -6.990 1.00 0.19 H HETATM 872 CB ARG A 124 -14.325 12.661 -4.827 1.00 -0.01 C HETATM 873 CG ARG A 124 -15.406 13.263 -3.984 1.00 -0.03 C HETATM 874 CD ARG A 124 -16.079 14.297 -4.849 1.00 0.04 C HETATM 875 H21 ARG A 124 -17.155 14.354 -4.630 1.00 0.05 H HETATM 876 H22 ARG A 124 -15.623 15.288 -4.707 1.00 0.05 H HETATM 877 H19 ARG A 124 -14.975 13.735 -3.089 1.00 0.03 H HETATM 878 H20 ARG A 124 -16.128 12.491 -3.679 1.00 0.03 H HETATM 879 H17 ARG A 124 -13.410 13.270 -4.784 1.00 0.03 H HETATM 880 H18 ARG A 124 -14.099 11.636 -4.499 1.00 0.03 H HETATM 881 H16 ARG A 124 -14.128 12.813 -6.995 1.00 0.08 H HETATM 882 CB ARG A 124 -18.828 14.743 -7.224 1.00 0.01 C HETATM 883 CG ARG A 124 -19.999 15.727 -6.974 1.00 -0.01 C HETATM 884 CD ARG A 124 -21.271 14.997 -6.486 1.00 0.06 C HETATM 885 NE ARG A 124 -20.899 14.047 -5.444 1.00 -0.27 N HETATM 886 CZ ARG A 124 -20.824 14.346 -4.152 1.00 0.29 C HETATM 887 NH1 ARG A 124 -20.389 13.439 -3.297 1.00 -0.28 N HETATM 888 H12 ARG A 124 -20.328 13.664 -2.294 1.00 0.26 H HETATM 889 H13 ARG A 124 -20.110 12.506 -3.633 1.00 0.26 H HETATM 890 NH2 ARG A 124 -21.187 15.550 -3.715 1.00 -0.28 N HETATM 891 H14 ARG A 124 -21.527 16.259 -4.381 1.00 0.26 H HETATM 892 H15 ARG A 124 -21.128 15.773 -2.711 1.00 0.26 H HETATM 893 H11 ARG A 124 -20.680 13.082 -5.728 1.00 0.26 H HETATM 894 H9 ARG A 124 -21.734 14.460 -7.327 1.00 0.07 H HETATM 895 H10 ARG A 124 -21.985 15.729 -6.080 1.00 0.07 H HETATM 896 H7 ARG A 124 -20.229 16.252 -7.913 1.00 0.03 H HETATM 897 H8 ARG A 124 -19.693 16.457 -6.210 1.00 0.03 H HETATM 898 H5 ARG A 124 -18.848 13.988 -6.425 1.00 0.03 H HETATM 899 H6 ARG A 124 -19.001 14.255 -8.194 1.00 0.03 H HETATM 900 H4 ARG A 124 -17.258 15.915 -6.317 1.00 0.11 H HETATM 901 H1 ARG A 124 -17.989 17.011 -8.294 1.00 0.20 H HETATM 902 H2 ARG A 124 -17.416 15.792 -9.240 1.00 0.20 H HETATM 903 H3 ARG A 124 -16.372 16.709 -8.358 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 699 700 901 902 903 CONECT 700 699 701 882 900 CONECT 701 700 702 703 CONECT 702 701 CONECT 703 701 704 874 CONECT 704 703 705 872 881 CONECT 705 704 706 707 CONECT 706 705 CONECT 707 705 708 871 CONECT 708 707 709 860 870 CONECT 709 708 710 711 CONECT 710 709 CONECT 711 709 712 852 CONECT 712 711 713 850 859 CONECT 713 712 714 715 CONECT 714 713 CONECT 715 713 716 849 CONECT 716 715 717 837 848 CONECT 717 716 718 719 CONECT 718 717 CONECT 719 717 720 836 CONECT 720 719 721 828 835 CONECT 721 720 722 723 CONECT 722 721 CONECT 723 721 724 827 CONECT 724 723 725 808 826 CONECT 725 724 726 727 CONECT 726 725 CONECT 727 725 728 807 CONECT 728 727 729 795 806 CONECT 729 728 730 731 CONECT 730 729 CONECT 731 729 732 794 CONECT 732 731 733 780 793 CONECT 733 732 734 735 CONECT 734 733 CONECT 735 733 736 779 CONECT 736 735 737 764 778 CONECT 737 736 738 739 CONECT 738 737 CONECT 739 737 740 763 CONECT 740 739 741 744 762 CONECT 741 740 742 743 CONECT 742 741 CONECT 743 741 CONECT 744 740 745 760 761 CONECT 745 744 746 758 759 CONECT 746 745 747 756 757 CONECT 747 746 748 755 CONECT 748 747 749 752 CONECT 749 748 750 751 CONECT 750 749 CONECT 751 749 CONECT 752 748 753 754 CONECT 753 752 CONECT 754 752 CONECT 755 747 CONECT 756 746 CONECT 757 746 CONECT 758 745 CONECT 759 745 CONECT 760 744 CONECT 761 744 CONECT 762 740 CONECT 763 739 CONECT 764 736 765 776 777 CONECT 765 764 766 770 CONECT 766 765 767 775 CONECT 767 766 768 774 CONECT 768 767 769 773 CONECT 769 768 770 772 CONECT 770 765 769 771 CONECT 771 770 CONECT 772 769 CONECT 773 768 CONECT 774 767 CONECT 775 766 CONECT 776 764 CONECT 777 764 CONECT 778 736 CONECT 779 735 CONECT 780 732 781 788 792 CONECT 781 780 782 786 787 CONECT 782 781 783 784 785 CONECT 783 782 CONECT 784 782 CONECT 785 782 CONECT 786 781 CONECT 787 781 CONECT 788 780 789 790 791 CONECT 789 788 CONECT 790 788 CONECT 791 788 CONECT 792 780 CONECT 793 732 CONECT 794 731 CONECT 795 728 796 804 805 CONECT 796 795 797 800 CONECT 797 796 798 CONECT 798 797 799 803 CONECT 799 798 800 802 CONECT 800 796 799 801 CONECT 801 800 CONECT 802 799 CONECT 803 798 CONECT 804 795 CONECT 805 795 CONECT 806 728 CONECT 807 727 CONECT 808 724 809 824 825 CONECT 809 808 810 822 823 CONECT 810 809 811 820 821 CONECT 811 810 812 819 CONECT 812 811 813 816 CONECT 813 812 814 815 CONECT 814 813 CONECT 815 813 CONECT 816 812 817 818 CONECT 817 816 CONECT 818 816 CONECT 819 811 CONECT 820 810 CONECT 821 810 CONECT 822 809 CONECT 823 809 CONECT 824 808 CONECT 825 808 CONECT 826 724 CONECT 827 723 CONECT 828 720 829 833 834 CONECT 829 828 830 831 832 CONECT 830 829 CONECT 831 829 CONECT 832 829 CONECT 833 828 CONECT 834 828 CONECT 835 720 CONECT 836 719 CONECT 837 716 838 846 847 CONECT 838 837 839 844 845 CONECT 839 838 840 CONECT 840 839 841 842 843 CONECT 841 840 CONECT 842 840 CONECT 843 840 CONECT 844 838 CONECT 845 838 CONECT 846 837 CONECT 847 837 CONECT 848 716 CONECT 849 715 CONECT 850 712 851 857 858 CONECT 851 850 852 855 856 CONECT 852 711 851 853 854 CONECT 853 852 CONECT 854 852 CONECT 855 851 CONECT 856 851 CONECT 857 850 CONECT 858 850 CONECT 859 712 CONECT 860 708 861 865 869 CONECT 861 860 862 863 864 CONECT 862 861 CONECT 863 861 CONECT 864 861 CONECT 865 860 866 867 868 CONECT 866 865 CONECT 867 865 CONECT 868 865 CONECT 869 860 CONECT 870 708 CONECT 871 707 CONECT 872 704 873 879 880 CONECT 873 872 874 877 878 CONECT 874 703 873 875 876 CONECT 875 874 CONECT 876 874 CONECT 877 873 CONECT 878 873 CONECT 879 872 CONECT 880 872 CONECT 881 704 CONECT 882 700 883 898 899 CONECT 883 882 884 896 897 CONECT 884 883 885 894 895 CONECT 885 884 886 893 CONECT 886 885 887 890 CONECT 887 886 888 889 CONECT 888 887 CONECT 889 887 CONECT 890 886 891 892 CONECT 891 890 CONECT 892 890 CONECT 893 885 CONECT 894 884 CONECT 895 884 CONECT 896 883 CONECT 897 883 CONECT 898 882 CONECT 899 882 CONECT 900 700 CONECT 901 699 CONECT 902 699 CONECT 903 699 MASTER 0 0 0 0 0 0 0 0 902 1 209 5 END
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RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4jjm
RCSB PDB
PDBbind
11-mer
4ln2
RCSB PDB
PDBbind
11-mer
4n7g
RCSB PDB
PDBbind
11-mer
4n7y
RCSB PDB
PDBbind
11-mer
4o3t
RCSB PDB
PDBbind
11-mer
4o62
RCSB PDB
PDBbind
11-mer
4pl6
RCSB PDB
PDBbind
11-mer
4pli
RCSB PDB
PDBbind
11-mer
4pr5
RCSB PDB
PDBbind
11-mer
4pra
RCSB PDB
PDBbind
11-mer
4prb
RCSB PDB
PDBbind
11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
RCSB PDB
PDBbind
11-mer
4prh
RCSB PDB
PDBbind
11-mer
4pri
RCSB PDB
PDBbind
11-mer
4prn
RCSB PDB
PDBbind
11-mer
4prp
RCSB PDB
PDBbind
11-mer
4pxf
RCSB PDB
PDBbind
11-mer
4qc1
RCSB PDB
PDBbind
11-mer
4qyo
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
11-mer
Entry Information
PDB ID
5xhz
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Cb-linteracting protein of 85 kDa
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
1.32(Å)
Affinity (Kd/Ki/IC50)
Kd=0.32uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Biochemistry Vol. 57: pp. 2132-2139
Ligand Properties
Formula
C
6
3
H
1
0
8
N
2
2
O
1
2
S
Molecular Weight
1397.740
Exact Mass
1396.820
No. of atoms
206
No. of bonds
209
Polar Surface Area
590.37
LOGP Value
3.49 (
Computed with XLOGP3
)
-2.78 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 51
No. of Nitrogen and Oxygen Atoms: 34
No. of Rings: 4
Canonical SMILES
CSCC[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)CCC[NH+]=C(N)N)Cc1ccccc1)[C@H](CC)C)Cc1c[nH]cn1)CCC[NH+]=C(N)N)CC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC[NH+]=C(N)N)[NH3+]
InChI String
InChI=1S/C63H104N22O12S/c1-7-36(5)49(57(93)81-44(31-37-17-10-9-11-18-37)53(89)79-43(60(96)97)21-14-27-74-63(69)70)83-54(90)45(32-38-33-71-34-75-38)80-51(87)41(20-13-26-73-62(67)68)77-50(86)40(8-2)76-52(88)42(24-30-98-6)78-55(91)46-22-16-29-85(46)59(95)48(35(3)4)82-56(92)47-23-15-28-84(47)58(94)39(64)19-12-25-72-61(65)66/h9-11,17-18,33-36,39-49H,7-8,12-16,19-32,64H2,1-6H3,(H,71,75)(H,76,88)(H,77,86)(H,78,91)(H,79,89)(H,80,87)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,65,66,72)(H4,67,68,73)(H4,69,70,74)/p+4/t36-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/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):
Q4LDD4
Q8R550
Entrez Gene ID
NCBI Entrez Gene ID:
69710
58194
ASD
Information of known allosteric effects of PDB entries
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