Browse entries in the PDBbind-CN Database
HEADER 4LN2_COMPLEX COMPND 4LN2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 66 MET VAL LEU GLU TYR GLY GLU ALA ILE ALA LYS PHE ASN SEQRES 2 A 66 PHE ASN GLY ASP THR GLN VAL GLU MET SER PHE ARG LYS SEQRES 3 A 66 GLY GLU ARG ILE THR LEU LEU ARG GLN VAL ASP GLU ASN SEQRES 4 A 66 TRP TYR GLU GLY ARG ILE PRO GLY THR SER ARG GLN GLY SEQRES 5 A 66 ILE PHE PRO ILE THR TYR VAL ASP VAL ILE LYS ARG PRO SEQRES 6 A 66 LEU HET LEU A 188 158 ATOM 1 N MET A 865 -2.709 9.234 0.675 1.00 28.70 N ATOM 2 CA MET A 865 -3.874 8.325 0.435 1.00 25.77 C ATOM 3 C MET A 865 -3.650 6.901 0.956 1.00 21.87 C ATOM 4 O MET A 865 -4.611 6.220 1.317 1.00 21.47 O ATOM 5 CB MET A 865 -4.213 8.282 -1.058 1.00 25.68 C ATOM 6 HN3 MET A 865 -1.869 8.853 0.195 1.00 0.00 H ATOM 7 HN2 MET A 865 -2.526 9.299 1.697 1.00 0.00 H ATOM 8 HN1 MET A 865 -2.925 10.179 0.299 1.00 0.00 H ATOM 9 N VAL A 866 -2.393 6.455 0.980 1.00 18.84 N ATOM 10 CA VAL A 866 -2.038 5.121 1.472 1.00 14.97 C ATOM 11 C VAL A 866 -2.273 5.015 2.985 1.00 14.07 C ATOM 12 O VAL A 866 -1.835 5.870 3.751 1.00 16.58 O ATOM 13 CB VAL A 866 -0.566 4.783 1.120 1.00 15.57 C ATOM 14 CG1 VAL A 866 -0.064 3.555 1.873 1.00 14.10 C ATOM 15 CG2 VAL A 866 -0.431 4.580 -0.384 1.00 15.47 C ATOM 16 H VAL A 866 -1.635 7.079 0.636 1.00 0.00 H ATOM 17 N LEU A 867 -2.975 3.959 3.394 1.00 11.23 N ATOM 18 CA LEU A 867 -3.295 3.690 4.790 1.00 10.98 C ATOM 19 C LEU A 867 -2.391 2.631 5.420 1.00 9.14 C ATOM 20 O LEU A 867 -2.193 2.646 6.635 1.00 9.30 O ATOM 21 CB LEU A 867 -4.746 3.249 4.891 1.00 12.81 C ATOM 22 CG LEU A 867 -5.756 4.298 4.415 1.00 15.14 C ATOM 23 CD1 LEU A 867 -7.159 3.720 4.459 1.00 16.75 C ATOM 24 CD2 LEU A 867 -5.681 5.579 5.238 1.00 18.43 C ATOM 25 H LEU A 867 -3.314 3.288 2.675 1.00 0.00 H ATOM 26 N GLU A 868 -1.861 1.714 4.603 1.00 8.21 N ATOM 27 CA GLU A 868 -0.934 0.690 5.089 1.00 7.53 C ATOM 28 C GLU A 868 0.183 0.560 4.068 1.00 6.45 C ATOM 29 O GLU A 868 -0.071 0.335 2.882 1.00 7.90 O ATOM 30 CB GLU A 868 -1.613 -0.674 5.269 1.00 8.34 C ATOM 31 CG GLU A 868 -2.868 -0.620 6.126 1.00 9.38 C ATOM 32 CD GLU A 868 -3.509 -1.969 6.389 1.00 11.81 C ATOM 33 OE1 GLU A 868 -2.907 -3.025 6.116 1.00 15.58 O ATOM 34 OE2 GLU A 868 -4.655 -1.964 6.876 1.00 15.58 O ATOM 35 H GLU A 868 -2.114 1.729 3.594 1.00 0.00 H ATOM 36 N TYR A 869 1.421 0.697 4.525 1.00 5.69 N ATOM 37 CA TYR A 869 2.560 0.417 3.677 1.00 5.38 C ATOM 38 C TYR A 869 2.658 -1.078 3.410 1.00 5.33 C ATOM 39 O TYR A 869 2.224 -1.913 4.210 1.00 7.28 O ATOM 40 CB TYR A 869 3.851 0.900 4.330 1.00 5.32 C ATOM 41 CG TYR A 869 3.978 2.396 4.485 1.00 5.94 C ATOM 42 CD1 TYR A 869 3.484 3.280 3.525 1.00 6.41 C ATOM 43 CD2 TYR A 869 4.651 2.933 5.570 1.00 7.60 C ATOM 44 CE1 TYR A 869 3.650 4.644 3.653 1.00 7.87 C ATOM 45 CE2 TYR A 869 4.812 4.301 5.709 1.00 9.61 C ATOM 46 CZ TYR A 869 4.308 5.152 4.749 1.00 10.11 C ATOM 47 OH TYR A 869 4.452 6.514 4.868 1.00 13.59 O ATOM 48 HH TYR A 869 4.030 6.958 4.090 1.00 0.00 H ATOM 49 H TYR A 869 1.575 1.010 5.505 1.00 0.00 H ATOM 50 N GLY A 870 3.240 -1.410 2.268 1.00 5.13 N ATOM 51 CA GLY A 870 3.525 -2.791 1.929 1.00 5.61 C ATOM 52 C GLY A 870 4.992 -3.121 2.152 1.00 4.71 C ATOM 53 O GLY A 870 5.736 -2.345 2.750 1.00 4.82 O ATOM 54 H GLY A 870 3.500 -0.660 1.596 1.00 0.00 H ATOM 55 N GLU A 871 5.417 -4.275 1.656 1.00 4.65 N ATOM 56 CA GLU A 871 6.831 -4.612 1.674 1.00 4.48 C ATOM 57 C GLU A 871 7.126 -5.662 0.608 1.00 4.53 C ATOM 58 O GLU A 871 6.229 -6.311 0.058 1.00 4.75 O ATOM 59 CB GLU A 871 7.342 -5.031 3.064 1.00 4.93 C ATOM 60 CG GLU A 871 6.754 -6.316 3.630 1.00 5.43 C ATOM 61 CD GLU A 871 7.232 -6.618 5.037 1.00 5.64 C ATOM 62 OE1 GLU A 871 8.356 -6.165 5.405 1.00 5.84 O ATOM 63 OE2 GLU A 871 6.492 -7.308 5.774 1.00 6.02 O ATOM 64 H GLU A 871 4.733 -4.945 1.251 1.00 0.00 H ATOM 65 N ALA A 872 8.410 -5.784 0.319 1.00 4.94 N ATOM 66 CA ALA A 872 8.909 -6.649 -0.741 1.00 4.82 C ATOM 67 C ALA A 872 10.337 -7.044 -0.418 1.00 4.87 C ATOM 68 O ALA A 872 10.999 -6.403 0.404 1.00 5.26 O ATOM 69 CB ALA A 872 8.856 -5.933 -2.081 1.00 5.08 C ATOM 70 H ALA A 872 9.097 -5.236 0.875 1.00 0.00 H ATOM 71 N ILE A 873 10.822 -8.077 -1.108 1.00 5.08 N ATOM 72 CA ILE A 873 12.243 -8.424 -1.089 1.00 5.13 C ATOM 73 C ILE A 873 12.742 -8.395 -2.527 1.00 4.73 C ATOM 74 O ILE A 873 12.140 -8.993 -3.425 1.00 5.33 O ATOM 75 CB ILE A 873 12.522 -9.797 -0.413 1.00 6.39 C ATOM 76 CG1 ILE A 873 12.197 -9.739 1.084 1.00 7.36 C ATOM 77 CG2 ILE A 873 13.986 -10.182 -0.572 1.00 7.13 C ATOM 78 CD1 ILE A 873 12.226 -11.080 1.802 1.00 8.26 C ATOM 79 H ILE A 873 10.170 -8.654 -1.677 1.00 0.00 H ATOM 80 N ALA A 874 13.861 -7.719 -2.755 1.00 4.74 N ATOM 81 CA ALA A 874 14.422 -7.648 -4.088 1.00 4.55 C ATOM 82 C ALA A 874 14.766 -9.037 -4.619 1.00 4.51 C ATOM 83 O ALA A 874 15.394 -9.845 -3.926 1.00 4.92 O ATOM 84 CB ALA A 874 15.677 -6.787 -4.084 1.00 4.76 C ATOM 85 H ALA A 874 14.340 -7.235 -1.968 1.00 0.00 H ATOM 86 N LYS A 875 14.386 -9.299 -5.873 1.00 4.75 N ATOM 87 CA LYS A 875 14.681 -10.578 -6.531 1.00 5.01 C ATOM 88 C LYS A 875 15.617 -10.425 -7.730 1.00 4.87 C ATOM 89 O LYS A 875 16.032 -11.428 -8.308 1.00 5.83 O ATOM 90 CB LYS A 875 13.408 -11.323 -6.930 1.00 6.19 C ATOM 91 CG LYS A 875 12.581 -10.661 -7.997 1.00 7.19 C ATOM 92 CD LYS A 875 11.294 -11.434 -8.191 1.00 8.87 C ATOM 93 CE LYS A 875 10.439 -10.878 -9.308 1.00 10.59 C ATOM 94 NZ LYS A 875 9.204 -11.693 -9.481 1.00 14.21 N ATOM 95 HZ1 LYS A 875 9.466 -12.672 -9.713 1.00 0.00 H ATOM 96 HZ2 LYS A 875 8.655 -11.680 -8.598 1.00 0.00 H ATOM 97 HZ3 LYS A 875 8.632 -11.294 -10.252 1.00 0.00 H ATOM 98 H LYS A 875 13.863 -8.572 -6.401 1.00 0.00 H ATOM 99 N PHE A 876 15.914 -9.185 -8.115 1.00 4.52 N ATOM 100 CA PHE A 876 16.927 -8.852 -9.116 1.00 4.61 C ATOM 101 C PHE A 876 17.725 -7.674 -8.571 1.00 4.64 C ATOM 102 O PHE A 876 17.255 -6.919 -7.713 1.00 5.84 O ATOM 103 CB PHE A 876 16.286 -8.452 -10.455 1.00 4.74 C ATOM 104 CG PHE A 876 15.645 -9.599 -11.183 1.00 4.60 C ATOM 105 CD1 PHE A 876 16.435 -10.518 -11.853 1.00 4.91 C ATOM 106 CD2 PHE A 876 14.263 -9.764 -11.212 1.00 5.11 C ATOM 107 CE1 PHE A 876 15.867 -11.582 -12.537 1.00 5.26 C ATOM 108 CE2 PHE A 876 13.688 -10.825 -11.902 1.00 5.55 C ATOM 109 CZ PHE A 876 14.492 -11.732 -12.566 1.00 5.62 C ATOM 110 H PHE A 876 15.391 -8.402 -7.675 1.00 0.00 H ATOM 111 N ASN A 877 18.939 -7.522 -9.077 1.00 4.93 N ATOM 112 CA ASN A 877 19.762 -6.362 -8.773 1.00 5.26 C ATOM 113 C ASN A 877 19.282 -5.184 -9.611 1.00 5.45 C ATOM 114 O ASN A 877 19.011 -5.337 -10.797 1.00 7.46 O ATOM 115 CB ASN A 877 21.227 -6.676 -9.074 1.00 5.19 C ATOM 116 CG ASN A 877 21.756 -7.781 -8.183 1.00 4.93 C ATOM 117 OD1 ASN A 877 21.627 -7.697 -6.962 1.00 5.22 O ATOM 118 ND2 ASN A 877 22.339 -8.817 -8.773 1.00 5.57 N ATOM 119 HD22 ASN A 877 22.426 -8.844 -9.809 1.00 0.00 H ATOM 120 HD21 ASN A 877 22.709 -9.601 -8.199 1.00 0.00 H ATOM 121 H ASN A 877 19.316 -8.255 -9.712 1.00 0.00 H ATOM 122 N PHE A 878 19.158 -4.015 -8.985 1.00 5.57 N ATOM 123 CA PHE A 878 18.674 -2.816 -9.675 1.00 5.55 C ATOM 124 C PHE A 878 19.646 -1.664 -9.477 1.00 5.77 C ATOM 125 O PHE A 878 19.930 -1.270 -8.346 1.00 6.20 O ATOM 126 CB PHE A 878 17.293 -2.394 -9.164 1.00 5.50 C ATOM 127 CG PHE A 878 16.775 -1.141 -9.826 1.00 5.33 C ATOM 128 CD1 PHE A 878 16.641 -1.071 -11.213 1.00 5.71 C ATOM 129 CD2 PHE A 878 16.434 -0.026 -9.069 1.00 5.83 C ATOM 130 CE1 PHE A 878 16.184 0.086 -11.830 1.00 6.56 C ATOM 131 CE2 PHE A 878 15.972 1.126 -9.681 1.00 6.44 C ATOM 132 CZ PHE A 878 15.851 1.185 -11.062 1.00 6.49 C ATOM 133 H PHE A 878 19.412 -3.951 -7.978 1.00 0.00 H ATOM 134 N ASN A 879 20.148 -1.126 -10.580 1.00 7.08 N ATOM 135 CA ASN A 879 20.947 0.086 -10.560 1.00 8.76 C ATOM 136 C ASN A 879 20.112 1.250 -11.080 1.00 10.57 C ATOM 137 O ASN A 879 19.752 1.283 -12.261 1.00 13.62 O ATOM 138 CB ASN A 879 22.204 -0.093 -11.407 1.00 9.87 C ATOM 139 CG ASN A 879 23.155 -1.117 -10.818 1.00 10.84 C ATOM 140 OD1 ASN A 879 23.471 -1.069 -9.632 1.00 12.41 O ATOM 141 ND2 ASN A 879 23.617 -2.048 -11.642 1.00 13.03 N ATOM 142 HD22 ASN A 879 23.323 -2.052 -12.640 1.00 0.00 H ATOM 143 HD21 ASN A 879 24.273 -2.774 -11.290 1.00 0.00 H ATOM 144 H ASN A 879 19.963 -1.589 -11.493 1.00 0.00 H ATOM 145 N GLY A 880 19.774 2.171 -10.181 1.00 10.85 N ATOM 146 CA GLY A 880 19.056 3.380 -10.546 1.00 12.44 C ATOM 147 C GLY A 880 20.010 4.301 -11.274 1.00 15.49 C ATOM 148 O GLY A 880 21.190 4.378 -10.933 1.00 18.44 O ATOM 149 H GLY A 880 20.032 2.020 -9.185 1.00 0.00 H ATOM 150 N ASP A 881 19.519 4.986 -12.293 1.00 17.15 N ATOM 151 CA ASP A 881 20.372 5.876 -13.063 1.00 18.86 C ATOM 152 C ASP A 881 20.166 7.349 -12.716 1.00 17.53 C ATOM 153 O ASP A 881 20.993 8.186 -13.069 1.00 20.64 O ATOM 154 CB ASP A 881 20.141 5.665 -14.556 1.00 23.11 C ATOM 155 CG ASP A 881 21.274 6.211 -15.396 1.00 24.27 C ATOM 156 OD1 ASP A 881 22.448 5.991 -15.028 1.00 27.01 O ATOM 157 OD2 ASP A 881 20.994 6.857 -16.423 1.00 25.46 O ATOM 158 H ASP A 881 18.515 4.887 -12.545 1.00 0.00 H ATOM 159 N THR A 882 19.067 7.662 -12.034 1.00 14.01 N ATOM 160 CA THR A 882 18.715 9.046 -11.685 1.00 11.97 C ATOM 161 C THR A 882 18.379 9.186 -10.204 1.00 12.09 C ATOM 162 O THR A 882 18.173 8.190 -9.515 1.00 12.75 O ATOM 163 CB THR A 882 17.500 9.532 -12.500 1.00 11.58 C ATOM 164 OG1 THR A 882 16.324 8.842 -12.060 1.00 11.74 O ATOM 165 CG2 THR A 882 17.707 9.288 -13.990 1.00 12.64 C ATOM 166 HG1 THR A 882 16.444 7.869 -12.194 1.00 0.00 H ATOM 167 H THR A 882 18.431 6.896 -11.735 1.00 0.00 H ATOM 168 N GLN A 883 18.291 10.430 -9.733 1.00 11.96 N ATOM 169 CA GLN A 883 18.048 10.718 -8.316 1.00 11.56 C ATOM 170 C GLN A 883 16.730 10.132 -7.817 1.00 10.57 C ATOM 171 O GLN A 883 16.606 9.811 -6.637 1.00 11.97 O ATOM 172 CB GLN A 883 18.076 12.236 -8.056 1.00 13.37 C ATOM 173 CG GLN A 883 17.920 12.644 -6.591 1.00 14.07 C ATOM 174 CD GLN A 883 16.473 12.701 -6.122 1.00 14.82 C ATOM 175 OE1 GLN A 883 15.541 12.698 -6.928 1.00 16.50 O ATOM 176 NE2 GLN A 883 16.282 12.742 -4.810 1.00 19.17 N ATOM 177 HE22 GLN A 883 17.098 12.743 -4.165 1.00 0.00 H ATOM 178 HE21 GLN A 883 15.316 12.773 -4.426 1.00 0.00 H ATOM 179 H GLN A 883 18.399 11.225 -10.395 1.00 0.00 H ATOM 180 N VAL A 884 15.744 9.997 -8.703 1.00 9.23 N ATOM 181 CA VAL A 884 14.433 9.526 -8.271 1.00 7.88 C ATOM 182 C VAL A 884 14.414 8.015 -8.027 1.00 7.02 C ATOM 183 O VAL A 884 13.508 7.534 -7.374 1.00 7.28 O ATOM 184 CB VAL A 884 13.281 9.928 -9.233 1.00 7.85 C ATOM 185 CG1 VAL A 884 13.313 11.420 -9.534 1.00 9.57 C ATOM 186 CG2 VAL A 884 13.292 9.126 -10.524 1.00 7.61 C ATOM 187 H VAL A 884 15.909 10.228 -9.704 1.00 0.00 H ATOM 188 N GLU A 885 15.401 7.293 -8.557 1.00 7.13 N ATOM 189 CA GLU A 885 15.450 5.831 -8.480 1.00 7.15 C ATOM 190 C GLU A 885 16.308 5.370 -7.308 1.00 7.39 C ATOM 191 O GLU A 885 17.332 5.970 -7.008 1.00 11.77 O ATOM 192 CB GLU A 885 16.018 5.258 -9.775 1.00 7.38 C ATOM 193 CG GLU A 885 15.176 5.591 -10.987 1.00 7.78 C ATOM 194 CD GLU A 885 15.892 5.286 -12.273 1.00 8.90 C ATOM 195 OE1 GLU A 885 15.838 4.120 -12.697 1.00 12.21 O ATOM 196 OE2 GLU A 885 16.492 6.206 -12.862 1.00 13.02 O ATOM 197 H GLU A 885 16.171 7.790 -9.048 1.00 0.00 H ATOM 198 N MET A 886 15.887 4.287 -6.667 1.00 5.98 N ATOM 199 CA MET A 886 16.613 3.712 -5.544 1.00 5.67 C ATOM 200 C MET A 886 17.247 2.385 -5.950 1.00 5.60 C ATOM 201 O MET A 886 16.546 1.406 -6.194 1.00 6.40 O ATOM 202 CB MET A 886 15.668 3.491 -4.365 1.00 5.99 C ATOM 203 CG MET A 886 16.376 2.910 -3.156 1.00 6.47 C ATOM 204 SD MET A 886 15.308 2.673 -1.718 1.00 7.94 S ATOM 205 CE MET A 886 14.131 1.458 -2.290 1.00 9.73 C ATOM 206 H MET A 886 15.005 3.832 -6.979 1.00 0.00 H ATOM 207 N SER A 887 18.576 2.347 -5.973 1.00 6.04 N ATOM 208 CA SER A 887 19.302 1.122 -6.269 1.00 6.15 C ATOM 209 C SER A 887 19.237 0.148 -5.101 1.00 5.73 C ATOM 210 O SER A 887 19.136 0.554 -3.943 1.00 6.59 O ATOM 211 CB SER A 887 20.773 1.425 -6.552 1.00 7.51 C ATOM 212 OG SER A 887 20.909 2.309 -7.647 1.00 9.34 O ATOM 213 HG SER A 887 21.869 2.488 -7.808 1.00 0.00 H ATOM 214 H SER A 887 19.111 3.217 -5.774 1.00 0.00 H ATOM 215 N PHE A 888 19.360 -1.130 -5.422 1.00 5.41 N ATOM 216 CA PHE A 888 19.434 -2.182 -4.408 1.00 5.09 C ATOM 217 C PHE A 888 19.976 -3.460 -5.028 1.00 4.92 C ATOM 218 O PHE A 888 20.069 -3.601 -6.258 1.00 5.26 O ATOM 219 CB PHE A 888 18.071 -2.445 -3.742 1.00 4.90 C ATOM 220 CG PHE A 888 16.955 -2.701 -4.722 1.00 4.90 C ATOM 221 CD1 PHE A 888 16.839 -3.916 -5.389 1.00 5.26 C ATOM 222 CD2 PHE A 888 16.027 -1.718 -4.987 1.00 5.51 C ATOM 223 CE1 PHE A 888 15.807 -4.140 -6.293 1.00 5.29 C ATOM 224 CE2 PHE A 888 14.992 -1.938 -5.885 1.00 5.74 C ATOM 225 CZ PHE A 888 14.875 -3.151 -6.533 1.00 5.58 C ATOM 226 H PHE A 888 19.405 -1.395 -6.427 1.00 0.00 H ATOM 227 N ARG A 889 20.323 -4.386 -4.138 1.00 5.13 N ATOM 228 CA ARG A 889 20.738 -5.729 -4.508 1.00 5.34 C ATOM 229 C ARG A 889 19.674 -6.752 -4.145 1.00 4.87 C ATOM 230 O ARG A 889 18.855 -6.546 -3.239 1.00 5.34 O ATOM 231 CB ARG A 889 22.037 -6.123 -3.796 1.00 5.44 C ATOM 232 CG ARG A 889 23.159 -5.093 -3.881 1.00 6.14 C ATOM 233 CD ARG A 889 23.491 -4.686 -5.303 1.00 6.61 C ATOM 234 NE ARG A 889 24.097 -5.773 -6.058 1.00 6.91 N ATOM 235 CZ ARG A 889 24.364 -5.711 -7.359 1.00 7.75 C ATOM 236 NH1 ARG A 889 24.085 -4.611 -8.045 1.00 8.48 N ATOM 237 NH2 ARG A 889 24.912 -6.749 -7.969 1.00 9.25 N ATOM 238 HE ARG A 889 24.335 -6.649 -5.550 1.00 0.00 H ATOM 239 HH12 ARG A 889 24.295 -4.565 -9.063 1.00 0.00 H ATOM 240 HH11 ARG A 889 23.656 -3.794 -7.565 1.00 0.00 H ATOM 241 HH22 ARG A 889 25.122 -6.703 -8.987 1.00 0.00 H ATOM 242 HH21 ARG A 889 25.133 -7.611 -7.431 1.00 0.00 H ATOM 243 H ARG A 889 20.296 -4.137 -3.129 1.00 0.00 H ATOM 244 N LYS A 890 19.731 -7.884 -4.841 1.00 4.99 N ATOM 245 CA LYS A 890 18.925 -9.041 -4.482 1.00 4.77 C ATOM 246 C LYS A 890 18.998 -9.270 -2.983 1.00 4.76 C ATOM 247 O LYS A 890 20.070 -9.197 -2.377 1.00 5.39 O ATOM 248 CB LYS A 890 19.433 -10.292 -5.193 1.00 5.01 C ATOM 249 CG LYS A 890 19.237 -10.258 -6.703 1.00 5.10 C ATOM 250 CD LYS A 890 20.074 -11.297 -7.436 1.00 5.46 C ATOM 251 CE LYS A 890 19.738 -12.715 -7.021 1.00 5.65 C ATOM 252 NZ LYS A 890 20.451 -13.675 -7.905 1.00 6.01 N ATOM 253 HZ1 LYS A 890 20.155 -13.523 -8.890 1.00 0.00 H ATOM 254 HZ2 LYS A 890 21.477 -13.524 -7.823 1.00 0.00 H ATOM 255 HZ3 LYS A 890 20.219 -14.647 -7.618 1.00 0.00 H ATOM 256 H LYS A 890 20.367 -7.944 -5.662 1.00 0.00 H ATOM 257 N GLY A 891 17.850 -9.546 -2.388 1.00 4.81 N ATOM 258 CA GLY A 891 17.780 -9.882 -0.982 1.00 5.07 C ATOM 259 C GLY A 891 17.426 -8.732 -0.055 1.00 5.29 C ATOM 260 O GLY A 891 17.074 -8.962 1.098 1.00 6.45 O ATOM 261 H GLY A 891 16.973 -9.521 -2.946 1.00 0.00 H ATOM 262 N GLU A 892 17.531 -7.493 -0.519 1.00 5.32 N ATOM 263 CA GLU A 892 17.211 -6.358 0.339 1.00 5.05 C ATOM 264 C GLU A 892 15.695 -6.275 0.529 1.00 4.84 C ATOM 265 O GLU A 892 14.913 -6.331 -0.417 1.00 5.43 O ATOM 266 CB GLU A 892 17.749 -5.052 -0.235 1.00 5.68 C ATOM 267 CG GLU A 892 19.273 -4.993 -0.279 1.00 6.65 C ATOM 268 CD GLU A 892 19.805 -3.599 -0.571 1.00 7.73 C ATOM 269 OE1 GLU A 892 19.453 -2.662 0.173 1.00102.23 O ATOM 270 OE2 GLU A 892 20.580 -3.417 -1.526 1.00 8.22 O ATOM 271 H GLU A 892 17.843 -7.331 -1.498 1.00 0.00 H ATOM 272 N ARG A 893 15.294 -6.142 1.789 1.00 5.07 N ATOM 273 CA ARG A 893 13.909 -5.881 2.156 1.00 4.92 C ATOM 274 C ARG A 893 13.599 -4.402 1.951 1.00 4.71 C ATOM 275 O ARG A 893 14.370 -3.529 2.353 1.00 5.71 O ATOM 276 CB ARG A 893 13.651 -6.290 3.602 1.00 5.16 C ATOM 277 CG ARG A 893 12.209 -6.071 4.046 1.00 5.48 C ATOM 278 CD ARG A 893 11.963 -6.540 5.475 1.00 6.25 C ATOM 279 NE ARG A 893 12.142 -7.984 5.616 1.00 6.72 N ATOM 280 CZ ARG A 893 11.226 -8.902 5.298 1.00 6.24 C ATOM 281 NH1 ARG A 893 10.014 -8.561 4.871 1.00 6.29 N ATOM 282 NH2 ARG A 893 11.522 -10.184 5.426 1.00 7.26 N ATOM 283 HE ARG A 893 13.051 -8.322 5.992 1.00 0.00 H ATOM 284 HH12 ARG A 893 9.321 -9.298 4.631 1.00 0.00 H ATOM 285 HH11 ARG A 893 9.759 -7.557 4.777 1.00 0.00 H ATOM 286 HH22 ARG A 893 10.816 -10.908 5.181 1.00 0.00 H ATOM 287 HH21 ARG A 893 12.461 -10.469 5.771 1.00 0.00 H ATOM 288 H ARG A 893 16.001 -6.228 2.547 1.00 0.00 H ATOM 289 N ILE A 894 12.446 -4.135 1.340 1.00 4.54 N ATOM 290 CA ILE A 894 12.036 -2.791 0.970 1.00 4.56 C ATOM 291 C ILE A 894 10.608 -2.568 1.459 1.00 4.62 C ATOM 292 O ILE A 894 9.727 -3.388 1.201 1.00 5.44 O ATOM 293 CB ILE A 894 12.069 -2.609 -0.563 1.00 5.14 C ATOM 294 CG1 ILE A 894 13.468 -2.904 -1.129 1.00 5.49 C ATOM 295 CG2 ILE A 894 11.605 -1.210 -0.945 1.00 6.13 C ATOM 296 CD1 ILE A 894 13.476 -3.175 -2.614 1.00 6.60 C ATOM 297 H ILE A 894 11.809 -4.926 1.117 1.00 0.00 H ATOM 298 N THR A 895 10.375 -1.459 2.156 1.00 4.49 N ATOM 299 CA THR A 895 9.014 -1.044 2.497 1.00 4.46 C ATOM 300 C THR A 895 8.419 -0.322 1.300 1.00 4.47 C ATOM 301 O THR A 895 9.043 0.572 0.719 1.00 5.00 O ATOM 302 CB THR A 895 9.020 -0.154 3.736 1.00 4.67 C ATOM 303 OG1 THR A 895 9.419 -0.966 4.838 1.00 5.94 O ATOM 304 CG2 THR A 895 7.650 0.434 4.019 1.00 5.22 C ATOM 305 HG1 THR A 895 9.434 -0.418 5.662 1.00 0.00 H ATOM 306 H THR A 895 11.178 -0.874 2.465 1.00 0.00 H ATOM 307 N LEU A 896 7.217 -0.742 0.907 1.00 4.58 N ATOM 308 CA LEU A 896 6.523 -0.162 -0.245 1.00 4.72 C ATOM 309 C LEU A 896 5.624 0.972 0.222 1.00 5.02 C ATOM 310 O LEU A 896 4.673 0.758 0.980 1.00 5.58 O ATOM 311 CB LEU A 896 5.695 -1.216 -0.981 1.00 4.81 C ATOM 312 CG LEU A 896 6.467 -2.445 -1.452 1.00 4.91 C ATOM 313 CD1 LEU A 896 5.523 -3.406 -2.158 1.00 5.37 C ATOM 314 CD2 LEU A 896 7.626 -2.058 -2.356 1.00 5.05 C ATOM 315 H LEU A 896 6.755 -1.509 1.437 1.00 0.00 H ATOM 316 N LEU A 897 5.957 2.185 -0.214 1.00 5.37 N ATOM 317 CA LEU A 897 5.256 3.390 0.210 1.00 5.91 C ATOM 318 C LEU A 897 4.024 3.684 -0.641 1.00 5.99 C ATOM 319 O LEU A 897 3.003 4.126 -0.110 1.00 7.16 O ATOM 320 CB LEU A 897 6.205 4.587 0.197 1.00 6.31 C ATOM 321 CG LEU A 897 7.451 4.427 1.076 1.00 6.66 C ATOM 322 CD1 LEU A 897 8.427 5.557 0.810 1.00 8.06 C ATOM 323 CD2 LEU A 897 7.101 4.373 2.557 1.00 6.81 C ATOM 324 H LEU A 897 6.748 2.276 -0.883 1.00 0.00 H ATOM 325 N ARG A 898 4.113 3.444 -1.948 1.00 5.91 N ATOM 326 CA ARG A 898 3.004 3.642 -2.867 1.00 6.18 C ATOM 327 C ARG A 898 3.374 3.019 -4.200 1.00 5.71 C ATOM 328 O ARG A 898 4.556 2.921 -4.538 1.00 6.27 O ATOM 329 CB ARG A 898 2.711 5.139 -3.083 1.00 7.52 C ATOM 330 CG ARG A 898 3.852 5.922 -3.731 1.00 9.19 C ATOM 331 CD ARG A 898 3.531 7.397 -3.946 1.00 11.79 C ATOM 332 NE ARG A 898 4.664 8.105 -4.557 1.00 13.14 N ATOM 333 CZ ARG A 898 4.653 8.752 -5.724 1.00 15.08 C ATOM 334 NH1 ARG A 898 3.556 8.822 -6.474 1.00 16.96 N ATOM 335 NH2 ARG A 898 5.765 9.341 -6.152 1.00 17.12 N ATOM 336 HE ARG A 898 5.560 8.102 -4.030 1.00 0.00 H ATOM 337 HH12 ARG A 898 3.577 9.333 -7.379 1.00 0.00 H ATOM 338 HH11 ARG A 898 2.678 8.365 -6.155 1.00 0.00 H ATOM 339 HH22 ARG A 898 5.768 9.848 -7.060 1.00 0.00 H ATOM 340 HH21 ARG A 898 6.632 9.295 -5.579 1.00 0.00 H ATOM 341 H ARG A 898 5.017 3.099 -2.329 1.00 0.00 H ATOM 342 N GLN A 899 2.361 2.622 -4.964 1.00 6.14 N ATOM 343 CA GLN A 899 2.555 2.281 -6.359 1.00 6.18 C ATOM 344 C GLN A 899 2.447 3.578 -7.164 1.00 6.36 C ATOM 345 O GLN A 899 1.423 4.255 -7.113 1.00 8.77 O ATOM 346 CB GLN A 899 1.532 1.245 -6.824 1.00 6.61 C ATOM 347 CG GLN A 899 1.924 0.648 -8.154 1.00 7.48 C ATOM 348 CD GLN A 899 1.011 -0.446 -8.646 1.00 7.84 C ATOM 349 OE1 GLN A 899 0.409 -1.178 -7.871 1.00 11.16 O ATOM 350 NE2 GLN A 899 0.913 -0.570 -9.951 1.00 8.46 N ATOM 351 HE22 GLN A 899 1.441 0.072 -10.576 1.00 0.00 H ATOM 352 HE21 GLN A 899 0.307 -1.310 -10.359 1.00 0.00 H ATOM 353 H GLN A 899 1.409 2.555 -4.552 1.00 0.00 H ATOM 354 N VAL A 900 3.509 3.929 -7.881 1.00 5.91 N ATOM 355 CA VAL A 900 3.571 5.211 -8.592 1.00 6.23 C ATOM 356 C VAL A 900 2.810 5.170 -9.920 1.00 6.24 C ATOM 357 O VAL A 900 2.106 6.115 -10.273 1.00 7.87 O ATOM 358 CB VAL A 900 5.039 5.609 -8.836 1.00 6.88 C ATOM 359 CG1 VAL A 900 5.130 6.900 -9.645 1.00 7.79 C ATOM 360 CG2 VAL A 900 5.763 5.744 -7.504 1.00 7.55 C ATOM 361 H VAL A 900 4.318 3.278 -7.940 1.00 0.00 H ATOM 362 N ASP A 901 2.998 4.093 -10.671 1.00 6.21 N ATOM 363 CA ASP A 901 2.276 3.874 -11.920 1.00 6.24 C ATOM 364 C ASP A 901 2.197 2.372 -12.152 1.00 6.12 C ATOM 365 O ASP A 901 2.423 1.582 -11.231 1.00 7.09 O ATOM 366 CB ASP A 901 2.901 4.670 -13.092 1.00 5.96 C ATOM 367 CG ASP A 901 4.215 4.098 -13.604 1.00 6.00 C ATOM 368 OD1 ASP A 901 4.722 3.108 -13.041 1.00 6.15 O ATOM 369 OD2 ASP A 901 4.728 4.663 -14.597 1.00 7.30 O ATOM 370 H ASP A 901 3.685 3.378 -10.358 1.00 0.00 H ATOM 371 N GLU A 902 1.872 1.974 -13.374 1.00 6.29 N ATOM 372 CA GLU A 902 1.692 0.567 -13.685 1.00 6.94 C ATOM 373 C GLU A 902 2.958 -0.273 -13.499 1.00 6.54 C ATOM 374 O GLU A 902 2.867 -1.494 -13.375 1.00 8.53 O ATOM 375 CB GLU A 902 1.206 0.418 -15.130 1.00 7.31 C ATOM 376 CG GLU A 902 -0.206 0.934 -15.374 1.00 8.04 C ATOM 377 CD GLU A 902 -0.317 2.425 -15.651 1.00 9.90 C ATOM 378 OE1 GLU A 902 -1.431 2.865 -16.009 1.00 15.08 O ATOM 379 OE2 GLU A 902 0.678 3.165 -15.531 1.00 10.63 O ATOM 380 H GLU A 902 1.744 2.683 -14.124 1.00 0.00 H ATOM 381 N ASN A 903 4.124 0.383 -13.510 1.00 5.52 N ATOM 382 CA ASN A 903 5.413 -0.302 -13.548 1.00 5.46 C ATOM 383 C ASN A 903 6.363 -0.049 -12.392 1.00 5.34 C ATOM 384 O ASN A 903 7.355 -0.761 -12.297 1.00 5.56 O ATOM 385 CB ASN A 903 6.126 0.053 -14.845 1.00 5.81 C ATOM 386 CG ASN A 903 5.358 -0.434 -16.046 1.00 7.20 C ATOM 387 OD1 ASN A 903 4.937 -1.588 -16.100 1.00 9.40 O ATOM 388 ND2 ASN A 903 5.149 0.447 -17.013 1.00 7.07 N ATOM 389 HD22 ASN A 903 5.524 1.413 -16.926 1.00 0.00 H ATOM 390 HD21 ASN A 903 4.610 0.172 -17.859 1.00 0.00 H ATOM 391 H ASN A 903 4.112 1.423 -13.491 1.00 0.00 H ATOM 392 N TRP A 904 6.092 0.937 -11.523 1.00 4.96 N ATOM 393 CA TRP A 904 7.044 1.357 -10.498 1.00 4.74 C ATOM 394 C TRP A 904 6.395 1.466 -9.135 1.00 4.69 C ATOM 395 O TRP A 904 5.282 1.968 -9.003 1.00 5.36 O ATOM 396 CB TRP A 904 7.657 2.729 -10.837 1.00 4.89 C ATOM 397 CG TRP A 904 8.441 2.758 -12.111 1.00 4.82 C ATOM 398 CD1 TRP A 904 7.936 2.844 -13.371 1.00 4.94 C ATOM 399 CD2 TRP A 904 9.870 2.708 -12.257 1.00 4.91 C ATOM 400 NE1 TRP A 904 8.949 2.837 -14.288 1.00 5.28 N ATOM 401 CE2 TRP A 904 10.147 2.766 -13.628 1.00 4.94 C ATOM 402 CE3 TRP A 904 10.938 2.662 -11.355 1.00 5.17 C ATOM 403 CZ2 TRP A 904 11.452 2.750 -14.126 1.00 5.55 C ATOM 404 CZ3 TRP A 904 12.237 2.660 -11.851 1.00 5.15 C ATOM 405 CH2 TRP A 904 12.482 2.700 -13.222 1.00 5.39 C ATOM 406 HE1 TRP A 904 8.830 2.879 -15.320 1.00 0.00 H ATOM 407 H TRP A 904 5.172 1.419 -11.581 1.00 0.00 H ATOM 408 N TYR A 905 7.143 1.029 -8.118 1.00 4.65 N ATOM 409 CA TYR A 905 6.879 1.358 -6.720 1.00 4.63 C ATOM 410 C TYR A 905 7.815 2.469 -6.256 1.00 4.65 C ATOM 411 O TYR A 905 8.938 2.584 -6.743 1.00 5.21 O ATOM 412 CB TYR A 905 7.122 0.154 -5.781 1.00 5.19 C ATOM 413 CG TYR A 905 5.967 -0.815 -5.688 1.00 5.65 C ATOM 414 CD1 TYR A 905 4.750 -0.409 -5.171 1.00 5.92 C ATOM 415 CD2 TYR A 905 6.095 -2.137 -6.084 1.00 6.40 C ATOM 416 CE1 TYR A 905 3.680 -1.281 -5.063 1.00 6.79 C ATOM 417 CE2 TYR A 905 5.028 -3.023 -5.974 1.00 7.24 C ATOM 418 CZ TYR A 905 3.821 -2.585 -5.473 1.00 7.49 C ATOM 419 OH TYR A 905 2.769 -3.466 -5.377 1.00 10.08 O ATOM 420 HH TYR A 905 1.982 -2.998 -5.001 1.00 0.00 H ATOM 421 H TYR A 905 7.959 0.421 -8.334 1.00 0.00 H ATOM 422 N GLU A 906 7.357 3.235 -5.257 1.00 4.90 N ATOM 423 CA GLU A 906 8.244 4.019 -4.407 1.00 5.07 C ATOM 424 C GLU A 906 8.423 3.234 -3.125 1.00 4.99 C ATOM 425 O GLU A 906 7.438 2.760 -2.547 1.00 5.61 O ATOM 426 CB GLU A 906 7.646 5.390 -4.098 1.00 5.98 C ATOM 427 CG GLU A 906 8.623 6.304 -3.371 1.00 7.08 C ATOM 428 CD GLU A 906 7.998 7.556 -2.791 1.00 9.08 C ATOM 429 OE1 GLU A 906 6.755 7.664 -2.764 1.00 11.07 O ATOM 430 OE2 GLU A 906 8.774 8.428 -2.334 1.00 12.75 O ATOM 431 H GLU A 906 6.333 3.271 -5.082 1.00 0.00 H ATOM 432 N GLY A 907 9.665 3.106 -2.665 1.00 4.90 N ATOM 433 CA GLY A 907 9.933 2.381 -1.443 1.00 4.75 C ATOM 434 C GLY A 907 11.080 2.983 -0.677 1.00 4.82 C ATOM 435 O GLY A 907 11.695 3.959 -1.096 1.00 5.75 O ATOM 436 H GLY A 907 10.454 3.533 -3.192 1.00 0.00 H ATOM 437 N ARG A 908 11.349 2.388 0.475 1.00 4.96 N ATOM 438 CA ARG A 908 12.439 2.823 1.333 1.00 5.18 C ATOM 439 C ARG A 908 13.041 1.616 2.028 1.00 5.71 C ATOM 440 O ARG A 908 12.379 0.609 2.258 1.00 6.75 O ATOM 441 CB ARG A 908 11.989 3.869 2.341 1.00 6.00 C ATOM 442 CG ARG A 908 11.009 3.333 3.320 1.00 7.19 C ATOM 443 CD ARG A 908 10.564 4.426 4.247 1.00 8.34 C ATOM 444 NE ARG A 908 9.822 3.837 5.350 1.00 10.01 N ATOM 445 CZ ARG A 908 8.902 4.457 6.076 1.00 11.46 C ATOM 446 NH1 ARG A 908 8.553 5.710 5.811 1.00 11.43 N ATOM 447 NH2 ARG A 908 8.314 3.802 7.065 1.00 11.87 N ATOM 448 HE ARG A 908 10.030 2.847 5.589 1.00 0.00 H ATOM 449 HH12 ARG A 908 7.830 6.182 6.390 1.00 0.00 H ATOM 450 HH11 ARG A 908 9.003 6.220 5.024 1.00 0.00 H ATOM 451 HH22 ARG A 908 7.590 4.274 7.644 1.00 0.00 H ATOM 452 HH21 ARG A 908 8.576 2.815 7.263 1.00 0.00 H ATOM 453 H ARG A 908 10.762 1.584 0.776 1.00 0.00 H ATOM 454 N ILE A 909 14.317 1.727 2.346 1.00 5.99 N ATOM 455 CA ILE A 909 15.017 0.684 3.098 1.00 6.66 C ATOM 456 C ILE A 909 14.761 0.914 4.591 1.00 6.90 C ATOM 457 O ILE A 909 15.060 1.990 5.107 1.00 8.48 O ATOM 458 CB ILE A 909 16.519 0.698 2.777 1.00 8.12 C ATOM 459 CG1 ILE A 909 16.752 0.450 1.278 1.00 9.59 C ATOM 460 CG2 ILE A 909 17.269 -0.317 3.635 1.00 9.31 C ATOM 461 CD1 ILE A 909 16.336 -0.912 0.769 1.00 11.56 C ATOM 462 H ILE A 909 14.839 2.578 2.055 1.00 0.00 H ATOM 463 N PRO A 910 14.177 -0.078 5.287 1.00 6.88 N ATOM 464 CA PRO A 910 13.817 0.143 6.694 1.00 7.79 C ATOM 465 C PRO A 910 14.963 0.653 7.558 1.00 9.18 C ATOM 466 O PRO A 910 16.100 0.194 7.433 1.00 10.45 O ATOM 467 CB PRO A 910 13.379 -1.241 7.165 1.00 8.28 C ATOM 468 CG PRO A 910 12.883 -1.910 5.929 1.00 7.61 C ATOM 469 CD PRO A 910 13.761 -1.413 4.822 1.00 6.93 C ATOM 470 N GLY A 911 14.644 1.598 8.435 1.00 11.18 N ATOM 471 CA GLY A 911 15.618 2.176 9.346 1.00 12.90 C ATOM 472 C GLY A 911 16.618 3.128 8.720 1.00 14.81 C ATOM 473 O GLY A 911 17.593 3.494 9.368 1.00 19.45 O ATOM 474 H GLY A 911 13.661 1.937 8.471 1.00 0.00 H ATOM 475 N THR A 912 16.383 3.542 7.476 1.00 14.04 N ATOM 476 CA THR A 912 17.297 4.424 6.752 1.00 14.96 C ATOM 477 C THR A 912 16.569 5.524 5.991 1.00 18.36 C ATOM 478 O THR A 912 15.338 5.537 5.912 1.00 20.68 O ATOM 479 CB THR A 912 18.131 3.664 5.684 1.00 14.31 C ATOM 480 OG1 THR A 912 17.345 3.463 4.493 1.00 15.07 O ATOM 481 CG2 THR A 912 18.638 2.335 6.215 1.00 12.21 C ATOM 482 HG1 THR A 912 16.540 2.932 4.716 1.00 0.00 H ATOM 483 H THR A 912 15.514 3.225 7.000 1.00 0.00 H ATOM 484 N SER A 913 17.404 6.329 5.328 1.00 37.81 N ATOM 485 CA SER A 913 17.012 7.328 4.353 1.00 11.92 C ATOM 486 C SER A 913 17.124 6.890 2.876 1.00 9.93 C ATOM 487 O SER A 913 16.909 7.721 1.996 1.00 11.46 O ATOM 488 CB SER A 913 17.882 8.571 4.537 1.00 16.42 C ATOM 489 OG SER A 913 19.245 8.258 4.312 1.00 16.44 O ATOM 490 HG SER A 913 19.534 7.564 4.956 1.00 0.00 H ATOM 491 H SER A 913 18.420 6.231 5.528 1.00 0.00 H ATOM 492 N ARG A 914 17.478 5.641 2.572 1.00 9.31 N ATOM 493 CA ARG A 914 17.398 5.205 1.175 1.00 7.89 C ATOM 494 C ARG A 914 15.907 5.184 0.800 1.00 7.70 C ATOM 495 O ARG A 914 15.140 4.434 1.397 1.00 7.55 O ATOM 496 CB ARG A 914 18.074 3.840 0.962 1.00 7.48 C ATOM 497 CG ARG A 914 19.589 3.889 1.158 1.00 7.04 C ATOM 498 CD ARG A 914 20.207 2.508 1.251 1.00 7.41 C ATOM 499 NE ARG A 914 19.940 1.730 0.057 1.00 6.88 N ATOM 500 CZ ARG A 914 20.036 0.414 -0.010 1.00 5.80 C ATOM 501 NH1 ARG A 914 20.390 -0.299 1.046 1.00 6.56 N ATOM 502 NH2 ARG A 914 19.747 -0.179 -1.144 1.00 4.07 N ATOM 503 HE ARG A 914 19.654 2.241 -0.803 1.00 0.00 H ATOM 504 HH12 ARG A 914 20.460 -1.334 0.975 1.00 0.00 H ATOM 505 HH11 ARG A 914 20.598 0.175 1.948 1.00 0.00 H ATOM 506 HH22 ARG A 914 19.815 -1.214 -1.222 1.00 0.00 H ATOM 507 HH21 ARG A 914 19.450 0.386 -1.965 1.00 0.00 H ATOM 508 H ARG A 914 17.805 4.988 3.313 1.00 0.00 H ATOM 509 N GLN A 915 15.500 6.027 -0.159 1.00 7.65 N ATOM 510 CA GLN A 915 14.136 6.038 -0.654 1.00 6.69 C ATOM 511 C GLN A 915 14.142 6.435 -2.113 1.00 6.62 C ATOM 512 O GLN A 915 14.927 7.274 -2.541 1.00 9.11 O ATOM 513 CB GLN A 915 13.311 7.047 0.155 1.00 8.55 C ATOM 514 CG GLN A 915 11.843 7.131 -0.228 1.00 9.19 C ATOM 515 CD GLN A 915 11.011 7.927 0.765 1.00 11.02 C ATOM 516 OE1 GLN A 915 11.258 7.897 1.972 1.00 14.45 O ATOM 517 NE2 GLN A 915 9.999 8.626 0.261 1.00 12.39 N ATOM 518 HE22 GLN A 915 9.825 8.624 -0.764 1.00 0.00 H ATOM 519 HE21 GLN A 915 9.381 9.175 0.892 1.00 0.00 H ATOM 520 H GLN A 915 16.186 6.697 -0.563 1.00 0.00 H ATOM 521 N GLY A 916 13.250 5.825 -2.878 1.00 5.51 N ATOM 522 CA GLY A 916 13.080 6.171 -4.284 1.00 5.30 C ATOM 523 C GLY A 916 12.297 5.101 -5.003 1.00 4.93 C ATOM 524 O GLY A 916 11.739 4.192 -4.371 1.00 5.69 O ATOM 525 H GLY A 916 12.655 5.079 -2.465 1.00 0.00 H ATOM 526 N ILE A 917 12.251 5.210 -6.330 1.00 4.75 N ATOM 527 CA ILE A 917 11.434 4.307 -7.116 1.00 4.72 C ATOM 528 C ILE A 917 12.253 3.181 -7.739 1.00 4.67 C ATOM 529 O ILE A 917 13.468 3.277 -7.921 1.00 5.21 O ATOM 530 CB ILE A 917 10.596 5.034 -8.201 1.00 5.03 C ATOM 531 CG1 ILE A 917 11.474 5.639 -9.310 1.00 5.29 C ATOM 532 CG2 ILE A 917 9.705 6.084 -7.545 1.00 5.72 C ATOM 533 CD1 ILE A 917 10.680 6.062 -10.531 1.00 5.85 C ATOM 534 H ILE A 917 12.806 5.949 -6.806 1.00 0.00 H ATOM 535 N PHE A 918 11.557 2.105 -8.070 1.00 4.57 N ATOM 536 CA PHE A 918 12.170 0.948 -8.708 1.00 4.62 C ATOM 537 C PHE A 918 11.076 0.142 -9.409 1.00 4.44 C ATOM 538 O PHE A 918 9.884 0.289 -9.103 1.00 4.50 O ATOM 539 CB PHE A 918 12.896 0.078 -7.679 1.00 4.52 C ATOM 540 CG PHE A 918 12.037 -0.263 -6.526 1.00 4.98 C ATOM 541 CD1 PHE A 918 11.210 -1.366 -6.558 1.00 5.92 C ATOM 542 CD2 PHE A 918 12.017 0.566 -5.417 1.00 5.77 C ATOM 543 CE1 PHE A 918 10.378 -1.645 -5.492 1.00 7.19 C ATOM 544 CE2 PHE A 918 11.187 0.304 -4.356 1.00 7.48 C ATOM 545 CZ PHE A 918 10.367 -0.800 -4.401 1.00 7.76 C ATOM 546 H PHE A 918 10.537 2.085 -7.868 1.00 0.00 H ATOM 547 N PRO A 919 11.470 -0.735 -10.344 1.00 4.45 N ATOM 548 CA PRO A 919 10.458 -1.472 -11.096 1.00 4.61 C ATOM 549 C PRO A 919 9.810 -2.571 -10.265 1.00 4.48 C ATOM 550 O PRO A 919 10.492 -3.320 -9.555 1.00 4.80 O ATOM 551 CB PRO A 919 11.247 -2.069 -12.271 1.00 5.03 C ATOM 552 CG PRO A 919 12.501 -1.242 -12.364 1.00 5.18 C ATOM 553 CD PRO A 919 12.811 -0.926 -10.927 1.00 4.81 C ATOM 554 N ILE A 920 8.500 -2.696 -10.417 1.00 4.75 N ATOM 555 CA ILE A 920 7.747 -3.759 -9.774 1.00 5.31 C ATOM 556 C ILE A 920 8.325 -5.142 -10.101 1.00 5.25 C ATOM 557 O ILE A 920 8.384 -6.016 -9.225 1.00 5.86 O ATOM 558 CB ILE A 920 6.257 -3.659 -10.169 1.00 6.29 C ATOM 559 CG1 ILE A 920 5.653 -2.337 -9.657 1.00 6.55 C ATOM 560 CG2 ILE A 920 5.465 -4.855 -9.653 1.00 7.65 C ATOM 561 CD1 ILE A 920 4.276 -2.017 -10.216 1.00 7.55 C ATOM 562 H ILE A 920 7.995 -2.012 -11.015 1.00 0.00 H ATOM 563 N THR A 921 8.765 -5.339 -11.343 1.00 5.09 N ATOM 564 CA THR A 921 9.278 -6.630 -11.773 1.00 5.46 C ATOM 565 C THR A 921 10.603 -7.016 -11.093 1.00 5.38 C ATOM 566 O THR A 921 11.047 -8.151 -11.233 1.00 6.34 O ATOM 567 CB THR A 921 9.484 -6.662 -13.291 1.00 5.74 C ATOM 568 OG1 THR A 921 10.301 -5.548 -13.637 1.00 6.29 O ATOM 569 CG2 THR A 921 8.144 -6.603 -14.031 1.00 6.29 C ATOM 570 HG1 THR A 921 10.452 -5.542 -14.615 1.00 0.00 H ATOM 571 H THR A 921 8.741 -4.551 -12.021 1.00 0.00 H ATOM 572 N TYR A 922 11.238 -6.100 -10.355 1.00 4.64 N ATOM 573 CA TYR A 922 12.514 -6.414 -9.727 1.00 4.62 C ATOM 574 C TYR A 922 12.363 -6.911 -8.291 1.00 4.72 C ATOM 575 O TYR A 922 13.374 -7.236 -7.666 1.00 5.36 O ATOM 576 CB TYR A 922 13.466 -5.216 -9.784 1.00 4.62 C ATOM 577 CG TYR A 922 14.160 -4.998 -11.112 1.00 4.70 C ATOM 578 CD1 TYR A 922 13.447 -4.906 -12.310 1.00 5.02 C ATOM 579 CD2 TYR A 922 15.541 -4.883 -11.168 1.00 5.25 C ATOM 580 CE1 TYR A 922 14.100 -4.677 -13.513 1.00 5.46 C ATOM 581 CE2 TYR A 922 16.201 -4.656 -12.363 1.00 5.91 C ATOM 582 CZ TYR A 922 15.482 -4.553 -13.529 1.00 5.70 C ATOM 583 OH TYR A 922 16.169 -4.319 -14.698 1.00 7.40 O ATOM 584 HH TYR A 922 16.661 -3.463 -14.624 1.00 0.00 H ATOM 585 H TYR A 922 10.818 -5.157 -10.228 1.00 0.00 H ATOM 586 N VAL A 923 11.138 -6.980 -7.773 1.00 4.97 N ATOM 587 CA VAL A 923 10.916 -7.385 -6.405 1.00 5.17 C ATOM 588 C VAL A 923 9.843 -8.451 -6.320 1.00 5.45 C ATOM 589 O VAL A 923 8.986 -8.587 -7.199 1.00 6.43 O ATOM 590 CB VAL A 923 10.553 -6.178 -5.488 1.00 5.48 C ATOM 591 CG1 VAL A 923 11.609 -5.080 -5.607 1.00 5.73 C ATOM 592 CG2 VAL A 923 9.159 -5.640 -5.788 1.00 6.10 C ATOM 593 H VAL A 923 10.321 -6.736 -8.369 1.00 0.00 H ATOM 594 N ASP A 924 9.911 -9.199 -5.225 1.00 5.83 N ATOM 595 CA ASP A 924 8.857 -10.108 -4.846 1.00 6.42 C ATOM 596 C ASP A 924 7.997 -9.383 -3.817 1.00 6.27 C ATOM 597 O ASP A 924 8.463 -9.068 -2.720 1.00 6.54 O ATOM 598 CB ASP A 924 9.461 -11.371 -4.259 1.00 8.00 C ATOM 599 CG ASP A 924 8.436 -12.438 -4.015 1.00 8.67 C ATOM 600 OD1 ASP A 924 7.449 -12.518 -4.773 1.00 13.35 O ATOM 601 OD2 ASP A 924 8.621 -13.199 -3.057 1.00 8.31 O ATOM 602 H ASP A 924 10.754 -9.127 -4.620 1.00 0.00 H ATOM 603 N VAL A 925 6.759 -9.079 -4.198 1.00 6.46 N ATOM 604 CA VAL A 925 5.851 -8.333 -3.341 1.00 6.32 C ATOM 605 C VAL A 925 5.294 -9.259 -2.259 1.00 6.54 C ATOM 606 O VAL A 925 4.700 -10.292 -2.555 1.00 10.04 O ATOM 607 CB VAL A 925 4.713 -7.689 -4.161 1.00 7.26 C ATOM 608 CG1 VAL A 925 3.721 -6.977 -3.243 1.00 7.71 C ATOM 609 CG2 VAL A 925 5.290 -6.716 -5.183 1.00 7.52 C ATOM 610 H VAL A 925 6.431 -9.384 -5.137 1.00 0.00 H ATOM 611 N ILE A 926 5.506 -8.869 -1.014 1.00 5.41 N ATOM 612 CA ILE A 926 5.024 -9.604 0.142 1.00 5.34 C ATOM 613 C ILE A 926 3.659 -9.064 0.577 1.00 5.46 C ATOM 614 O ILE A 926 2.765 -9.828 0.936 1.00 6.98 O ATOM 615 CB ILE A 926 6.077 -9.511 1.263 1.00 5.68 C ATOM 616 CG1 ILE A 926 7.331 -10.284 0.821 1.00 6.78 C ATOM 617 CG2 ILE A 926 5.534 -10.033 2.584 1.00 5.74 C ATOM 618 CD1 ILE A 926 8.579 -9.952 1.592 1.00 7.95 C ATOM 619 H ILE A 926 6.044 -7.993 -0.855 1.00 0.00 H ATOM 620 N LYS A 927 3.521 -7.742 0.548 1.00 5.38 N ATOM 621 CA LYS A 927 2.269 -7.058 0.867 1.00 5.38 C ATOM 622 C LYS A 927 2.198 -5.820 -0.003 1.00 5.22 C ATOM 623 O LYS A 927 3.152 -5.049 -0.040 1.00 5.47 O ATOM 624 CB LYS A 927 2.226 -6.646 2.345 1.00 5.46 C ATOM 625 CG LYS A 927 0.964 -5.887 2.732 1.00 6.05 C ATOM 626 CD LYS A 927 0.936 -5.494 4.196 1.00 6.83 C ATOM 627 CE LYS A 927 -0.309 -4.683 4.519 1.00 7.76 C ATOM 628 NZ LYS A 927 -0.517 -4.528 5.985 1.00 9.55 N ATOM 629 HZ1 LYS A 927 -0.621 -5.467 6.420 1.00 0.00 H ATOM 630 HZ2 LYS A 927 0.303 -4.041 6.401 1.00 0.00 H ATOM 631 HZ3 LYS A 927 -1.377 -3.968 6.155 1.00 0.00 H ATOM 632 H LYS A 927 4.346 -7.165 0.285 1.00 0.00 H ATOM 633 N ARG A 928 1.083 -5.627 -0.698 1.00 5.52 N ATOM 634 CA ARG A 928 0.873 -4.404 -1.463 1.00 5.82 C ATOM 635 C ARG A 928 0.519 -3.264 -0.504 1.00 6.04 C ATOM 636 O ARG A 928 -0.145 -3.495 0.500 1.00 6.72 O ATOM 637 CB ARG A 928 -0.273 -4.597 -2.458 1.00 5.58 C ATOM 638 CG ARG A 928 0.042 -5.542 -3.609 1.00 5.86 C ATOM 639 CD ARG A 928 -1.216 -5.958 -4.361 1.00 5.97 C ATOM 640 NE ARG A 928 -0.912 -6.646 -5.613 1.00 6.24 N ATOM 641 CZ ARG A 928 -0.971 -6.085 -6.814 1.00 6.41 C ATOM 642 NH1 ARG A 928 -1.340 -4.820 -6.944 1.00 6.90 N ATOM 643 NH2 ARG A 928 -0.661 -6.802 -7.882 1.00 6.75 N ATOM 644 HE ARG A 928 -0.630 -7.645 -5.559 1.00 0.00 H ATOM 645 HH12 ARG A 928 -1.384 -4.386 -7.888 1.00 0.00 H ATOM 646 HH11 ARG A 928 -1.585 -4.261 -6.102 1.00 0.00 H ATOM 647 HH22 ARG A 928 -0.704 -6.372 -8.828 1.00 0.00 H ATOM 648 HH21 ARG A 928 -0.374 -7.796 -7.776 1.00 0.00 H ATOM 649 H ARG A 928 0.347 -6.361 -0.696 1.00 0.00 H ATOM 650 N PRO A 929 0.943 -2.029 -0.812 1.00 6.49 N ATOM 651 CA PRO A 929 0.389 -0.903 -0.062 1.00 7.09 C ATOM 652 C PRO A 929 -1.132 -0.865 -0.250 1.00 7.87 C ATOM 653 O PRO A 929 -1.635 -1.230 -1.309 1.00 8.82 O ATOM 654 CB PRO A 929 1.019 0.330 -0.713 1.00 8.46 C ATOM 655 CG PRO A 929 2.103 -0.166 -1.586 1.00 9.42 C ATOM 656 CD PRO A 929 1.816 -1.597 -1.913 1.00 6.75 C ATOM 657 N LEU A 930 -1.835 -0.458 0.796 1.00 9.19 N ATOM 658 CA LEU A 930 -3.279 -0.321 0.816 1.00 11.57 C ATOM 659 C LEU A 930 -3.573 1.158 0.973 1.00 14.12 C ATOM 660 O LEU A 930 -3.115 1.775 1.932 1.00 13.06 O ATOM 661 CB LEU A 930 -3.848 -1.078 2.023 1.00 11.83 C ATOM 662 CG LEU A 930 -5.362 -1.231 2.080 1.00 14.78 C ATOM 663 CD1 LEU A 930 -5.835 -2.150 0.969 1.00 17.17 C ATOM 664 CD2 LEU A 930 -5.776 -1.780 3.435 1.00 17.90 C ATOM 665 OXT LEU A 930 -4.237 1.773 0.150 1.00 90.29 O ATOM 666 H LEU A 930 -1.315 -0.220 1.665 1.00 0.00 H TER 667 LEU A 930 HETATM 668 O HOH 1 11.471 9.140 -6.057 1.00 14.70 O HETATM 669 O HOH 2 10.341 1.084 6.749 1.00 5.01 O HETATM 670 O HOH 3 3.842 -7.266 5.272 1.00 9.68 O HETATM 671 O HOH 4 9.893 -3.719 5.283 1.00 7.40 O HETATM 672 O HOH 5 22.462 -5.473 -0.053 1.00 18.45 O HETATM 673 O HOH 6 -2.177 -5.121 1.248 1.00 13.53 O HETATM 674 O HOH 7 18.209 -12.607 -9.784 1.00 7.99 O HETATM 675 O HOH 8 0.474 -2.091 -5.310 1.00 11.55 O HETATM 676 O HOH 9 19.793 -9.205 -11.224 1.00 9.25 O HETATM 677 O HOH 10 16.821 -2.685 6.350 1.00 19.35 O HETATM 678 O HOH 11 24.749 -8.209 -4.488 1.00 7.79 O HETATM 679 O HOH 12 7.800 -3.266 -13.479 1.00 9.68 O HETATM 680 O HOH 13 -0.684 -7.990 -0.806 1.00 11.34 O HETATM 681 O HOH 14 22.545 -2.194 -7.350 1.00 9.61 O HETATM 682 O HOH 15 25.023 -5.147 -0.909 1.00 9.29 O HETATM 683 O HOH 16 1.199 -2.487 6.653 1.00 9.17 O HETATM 684 O HOH 17 21.377 -8.017 -0.253 1.00 10.63 O HETATM 685 O HOH 18 5.788 -9.896 -6.781 1.00 13.34 O HETATM 686 O HOH 19 5.944 3.268 -16.578 1.00 8.09 O HETATM 687 O HOH 20 6.557 -8.202 -8.853 1.00 17.07 O HETATM 688 O HOH 21 22.711 -9.712 -3.213 1.00 6.83 O HETATM 689 O HOH 22 -0.189 2.763 -3.819 1.00 16.38 O HETATM 690 O HOH 23 19.365 12.849 -11.102 1.00 14.52 O HETATM 691 O HOH 24 25.669 -7.592 -1.942 1.00 8.71 O HETATM 692 O HOH 25 1.057 -9.336 -2.361 1.00 16.69 O HETATM 693 O HOH 26 19.851 -2.437 -13.212 1.00 14.68 O HETATM 694 O HOH 27 22.669 -1.795 -2.475 1.00 9.27 O HETATM 695 O HOH 28 16.754 -3.847 3.695 1.00 11.13 O HETATM 696 O HOH 29 12.774 13.641 -6.675 1.00 20.94 O HETATM 697 O HOH 30 17.675 -2.056 -15.063 1.00 16.42 O HETATM 698 O HOH 31 20.751 -5.290 -12.877 1.00 15.94 O HETATM 699 O HOH 32 13.542 -15.566 -6.840 1.00 16.84 O HETATM 700 O HOH 33 2.919 -9.686 -6.714 1.00 23.24 O HETATM 701 O HOH 34 10.439 -3.747 7.927 1.00 13.93 O HETATM 702 O HOH 35 18.487 -2.746 -17.766 1.00 21.33 O HETATM 703 O HOH 36 0.861 -10.265 2.900 1.00 12.03 O HETATM 704 O HOH 37 5.220 8.418 -0.526 1.00 21.66 O HETATM 705 O HOH 38 16.700 -11.357 2.347 1.00 13.54 O HETATM 706 O HOH 39 2.930 6.889 0.313 1.00 17.55 O HETATM 707 O HOH 40 14.897 -4.883 7.009 1.00 19.18 O HETATM 708 O HOH 41 23.688 1.726 -8.512 1.00 27.25 O HETATM 709 O HOH 42 6.511 8.715 2.228 1.00 38.85 O HETATM 710 O HOH 43 10.636 -12.721 -1.352 1.00 14.66 O HETATM 711 O HOH 44 6.050 -13.461 -1.997 1.00 21.74 O HETATM 712 O HOH 45 23.312 -1.018 -5.027 1.00 18.83 O HETATM 713 O HOH 46 -0.755 -9.828 -7.908 1.00 18.53 O HETATM 714 O HOH 47 17.126 -6.659 3.951 1.00 18.50 O HETATM 715 O HOH 48 17.582 8.222 -0.937 1.00 40.65 O HETATM 716 O HOH 49 13.010 -14.011 -1.659 1.00 21.90 O HETATM 717 O HOH 50 23.159 0.870 -1.827 1.00 21.26 O HETATM 718 O HOH 51 6.138 -8.441 -11.604 1.00 24.78 O HETATM 719 O HOH 52 2.528 8.271 -12.156 1.00 14.96 O HETATM 720 O HOH 53 20.269 2.783 -2.829 1.00 21.35 O HETATM 721 O HOH 54 14.736 9.579 -4.341 1.00 23.05 O HETATM 722 O HOH 55 3.654 -7.351 -8.445 1.00 22.15 O HETATM 723 O HOH 56 8.556 9.130 -5.482 1.00 18.69 O HETATM 724 O HOH 57 -2.818 -6.919 3.105 1.00 22.90 O HETATM 725 O HOH 58 2.401 -2.601 -17.447 1.00 18.66 O HETATM 726 O HOH 59 16.351 -7.135 6.462 1.00 23.68 O HETATM 727 O HOH 60 -5.764 -6.822 2.841 1.00 38.25 O HETATM 728 O HOH 61 -6.566 0.151 6.118 1.00 24.57 O HETATM 729 O HOH 62 19.845 -6.960 3.598 1.00 29.00 O HETATM 730 O HOH 63 18.531 0.494 -14.627 1.00 22.75 O HETATM 731 O HOH 64 4.470 -12.534 -4.395 1.00 31.13 O HETATM 732 O HOH 65 25.288 -2.856 -2.417 1.00 8.70 O HETATM 733 O HOH 66 12.830 -4.555 8.778 1.00 9.55 O HETATM 734 O HOH 67 18.813 12.583 -13.823 1.00 18.47 O HETATM 735 O HOH 68 9.410 -13.681 0.755 1.00 9.37 O HETATM 736 O HOH 69 21.321 6.519 1.295 1.00 22.63 O HETATM 737 O HOH 70 -6.635 2.048 8.170 1.00 26.77 O HETATM 738 O HOH 71 11.615 11.544 1.801 1.00 63.85 O HETATM 739 O HOH 72 11.319 8.851 -3.273 1.00 14.87 O HETATM 740 O HOH 73 0.603 -9.055 -5.084 1.00 18.47 O HETATM 741 O HOH 74 -2.641 -1.434 -8.670 1.00 24.27 O HETATM 742 O HOH 75 3.449 8.098 2.912 1.00 26.38 O HETATM 743 O HOH 76 0.534 -3.100 -13.721 1.00 25.90 O HETATM 744 O HOH 77 -1.236 -0.088 -3.858 1.00 32.79 O HETATM 745 O HOH 78 -6.720 -3.782 6.309 1.00 27.87 O HETATM 746 O HOH 79 -0.521 5.896 -14.198 1.00 38.71 O HETATM 747 O HOH 80 14.401 10.385 1.572 1.00 39.27 O HETATM 748 O HOH 81 18.896 -0.856 7.718 1.00 31.73 O HETATM 749 O HOH 82 1.760 8.732 -9.071 1.00 25.49 O HETATM 750 O HOH 83 17.703 6.753 -3.585 1.00 30.27 O HETATM 751 O HOH 84 -3.305 1.140 -15.097 1.00 76.05 O HETATM 752 O HOH 85 16.900 -13.306 -5.010 1.00 11.65 O HETATM 753 O HOH 86 20.033 -2.039 5.258 1.00 15.95 O HETATM 754 O HOH 87 15.688 -14.000 -7.317 1.00 11.22 O HETATM 755 O HOH 88 16.701 -16.550 -7.427 1.00 9.10 O HETATM 756 O HOH 89 19.340 -3.270 2.810 1.00 34.56 O HETATM 757 O HOH 90 19.906 6.464 6.797 1.00 19.03 O HETATM 758 O HOH 91 20.727 4.379 8.486 1.00 26.82 O HETATM 759 O HOH 92 18.277 7.153 9.207 1.00 34.62 O HETATM 760 O HOH 93 20.955 0.379 3.609 1.00 31.54 O HETATM 761 O HOH 94 22.780 3.627 -17.599 1.00 40.50 O HETATM 762 O HOH 95 3.493 6.249 -16.355 1.00 9.73 O HETATM 763 O HOH 96 6.262 7.436 6.652 1.00 17.41 O HETATM 764 O HOH 97 4.859 7.659 9.011 1.00 18.02 O HETATM 765 O HOH 98 10.280 -14.601 -9.545 1.00 28.57 O HETATM 766 O HOH 99 15.121 -9.894 6.372 1.00 52.67 O HETATM 767 O HOH 100 0.326 8.078 -0.424 1.00 34.63 O HETATM 768 O HOH 101 22.228 -1.489 -14.568 1.00 24.57 O HETATM 769 O HOH 102 19.965 4.677 -5.543 1.00 43.59 O HETATM 770 O HOH 103 1.384 -4.195 -9.176 1.00 28.37 O HETATM 771 O HOH 104 5.101 -4.115 -14.581 1.00 50.98 O HETATM 772 O HOH 105 13.916 14.460 -3.082 1.00 31.69 O HETATM 773 O HOH 106 19.922 6.572 -7.934 1.00 32.63 O HETATM 774 O HOH 107 18.935 -12.821 -12.701 1.00 7.42 O HETATM 775 O HOH 108 5.505 6.912 -18.371 1.00 7.11 O HETATM 776 O HOH 109 10.377 -5.208 -16.423 1.00 7.96 O HETATM 777 O HOH 110 3.255 13.587 -19.610 1.00 10.45 O HETATM 778 O HOH 111 19.792 -7.578 -17.956 1.00 21.03 O HETATM 779 O HOH 112 21.308 -6.932 -15.032 1.00 13.05 O HETATM 780 O HOH 113 8.106 -3.530 -16.340 1.00 13.03 O HETATM 781 O HOH 114 5.835 11.043 -21.544 1.00 8.92 O HETATM 782 O HOH 115 4.517 10.024 -11.589 1.00 14.00 O HETATM 783 O HOH 116 17.783 -5.553 -18.156 1.00 18.01 O HETATM 784 O HOH 117 13.671 4.337 -17.680 1.00 19.12 O HETATM 785 O HOH 118 21.793 -8.832 -19.655 1.00 26.00 O HETATM 786 O HOH 119 4.805 14.909 -13.574 1.00 28.25 O HETATM 787 O HOH 120 2.984 8.454 -14.847 1.00 12.76 O HETATM 788 O HOH 121 18.077 3.158 -13.665 1.00 18.54 O HETATM 789 N LEU A 122 21.966 -9.669 -15.101 1.00 0.24 N HETATM 790 CA LEU A 122 20.770 -10.123 -15.844 1.00 0.07 C HETATM 791 C LEU A 122 19.524 -9.796 -15.048 1.00 0.23 C HETATM 792 O LEU A 122 19.398 -10.196 -13.897 1.00 -0.39 O HETATM 793 N LEU A 122 18.606 -9.077 -15.673 1.00 -0.26 N HETATM 794 CA LEU A 122 17.382 -8.654 -15.015 1.00 0.13 C HETATM 795 C LEU A 122 16.357 -8.322 -16.081 1.00 0.21 C HETATM 796 O LEU A 122 16.708 -8.174 -17.254 1.00 -0.39 O HETATM 797 N LEU A 122 15.078 -8.202 -15.699 1.00 -0.25 N HETATM 798 CA LEU A 122 14.074 -7.802 -16.676 1.00 0.13 C HETATM 799 C LEU A 122 14.406 -6.434 -17.282 1.00 0.21 C HETATM 800 O LEU A 122 15.125 -5.640 -16.681 1.00 -0.39 O HETATM 801 N LEU A 122 13.880 -6.136 -18.469 1.00 -0.25 N HETATM 802 CA LEU A 122 14.139 -4.811 -19.016 1.00 0.13 C HETATM 803 C LEU A 122 13.576 -3.723 -18.114 1.00 0.20 C HETATM 804 O LEU A 122 12.539 -3.908 -17.472 1.00 -0.39 O HETATM 805 N LEU A 122 14.261 -2.591 -18.068 1.00 -0.26 N HETATM 806 CA LEU A 122 13.800 -1.474 -17.266 1.00 0.13 C HETATM 807 C LEU A 122 12.582 -0.843 -17.944 1.00 0.21 C HETATM 808 O LEU A 122 12.660 -0.470 -19.119 1.00 -0.39 O HETATM 809 N LEU A 122 11.463 -0.693 -17.228 1.00 -0.25 N HETATM 810 CA LEU A 122 10.321 -0.011 -17.838 1.00 0.13 C HETATM 811 C LEU A 122 10.610 1.472 -18.028 1.00 0.21 C HETATM 812 O LEU A 122 11.518 2.018 -17.394 1.00 -0.39 O HETATM 813 N LEU A 122 9.836 2.139 -18.891 1.00 -0.25 N HETATM 814 CA LEU A 122 9.943 3.587 -18.966 1.00 0.13 C HETATM 815 C LEU A 122 9.573 4.201 -17.619 1.00 0.20 C HETATM 816 O LEU A 122 8.696 3.685 -16.922 1.00 -0.39 O HETATM 817 N LEU A 122 10.243 5.288 -17.257 1.00 -0.26 N HETATM 818 CA LEU A 122 9.968 5.968 -15.996 1.00 0.13 C HETATM 819 C LEU A 122 8.556 6.535 -15.971 1.00 0.21 C HETATM 820 O LEU A 122 7.972 6.794 -17.016 1.00 -0.39 O HETATM 821 N LEU A 122 8.019 6.774 -14.766 1.00 -0.25 N HETATM 822 CA LEU A 122 6.741 7.468 -14.653 1.00 0.13 C HETATM 823 C LEU A 122 6.826 8.904 -15.187 1.00 0.20 C HETATM 824 O LEU A 122 7.902 9.419 -15.468 1.00 -0.39 O HETATM 825 N LEU A 122 5.676 9.554 -15.281 1.00 -0.27 N HETATM 826 CA LEU A 122 5.635 10.964 -15.645 1.00 0.10 C HETATM 827 C LEU A 122 6.073 11.903 -14.530 1.00 0.06 C HETATM 828 O LEU A 122 6.103 11.513 -13.355 1.00 -0.57 O HETATM 829 OXT LEU A 122 6.389 13.059 -14.860 1.00 -0.57 O HETATM 830 CB LEU A 122 4.240 11.337 -16.152 1.00 -0.01 C HETATM 831 CG LEU A 122 3.859 10.580 -17.403 1.00 0.00 C HETATM 832 CD LEU A 122 4.953 10.670 -18.441 1.00 0.04 C HETATM 833 OE1 LEU A 122 5.164 11.770 -18.991 1.00 -0.57 O HETATM 834 OE2 LEU A 122 5.633 9.652 -18.687 1.00 -0.57 O HETATM 835 H LEU A 122 2.934 11.009 -17.816 1.00 0.04 H HETATM 836 H LEU A 122 3.691 9.523 -17.148 1.00 0.04 H HETATM 837 H LEU A 122 4.221 12.415 -16.372 1.00 0.03 H HETATM 838 H LEU A 122 3.506 11.110 -15.365 1.00 0.03 H HETATM 839 H LEU A 122 6.341 11.103 -16.477 1.00 0.07 H HETATM 840 H LEU A 122 4.821 9.069 -15.099 1.00 0.19 H HETATM 841 CB LEU A 122 6.465 7.484 -13.141 1.00 -0.01 C HETATM 842 CG LEU A 122 7.363 6.446 -12.560 1.00 -0.03 C HETATM 843 CD LEU A 122 8.576 6.433 -13.446 1.00 0.04 C HETATM 844 H LEU A 122 9.312 7.183 -13.121 1.00 0.05 H HETATM 845 H LEU A 122 9.046 5.439 -13.459 1.00 0.05 H HETATM 846 H LEU A 122 6.870 5.463 -12.566 1.00 0.03 H HETATM 847 H LEU A 122 7.641 6.710 -11.529 1.00 0.03 H HETATM 848 H LEU A 122 5.412 7.237 -12.940 1.00 0.03 H HETATM 849 H LEU A 122 6.697 8.473 -12.719 1.00 0.03 H HETATM 850 H LEU A 122 5.953 6.922 -15.193 1.00 0.08 H HETATM 851 CB LEU A 122 10.960 7.105 -15.754 1.00 -0.01 C HETATM 852 CG LEU A 122 12.372 6.713 -15.346 1.00 -0.04 C HETATM 853 CD1 LEU A 122 13.327 7.856 -15.650 1.00 -0.06 C HETATM 854 H LEU A 122 14.347 7.570 -15.354 1.00 0.02 H HETATM 855 H LEU A 122 13.019 8.750 -15.088 1.00 0.02 H HETATM 856 H LEU A 122 13.306 8.075 -16.728 1.00 0.02 H HETATM 857 CD2 LEU A 122 12.417 6.336 -13.880 1.00 -0.06 C HETATM 858 H LEU A 122 11.717 5.508 -13.693 1.00 0.02 H HETATM 859 H LEU A 122 12.130 7.205 -13.269 1.00 0.02 H HETATM 860 H LEU A 122 13.437 6.021 -13.614 1.00 0.02 H HETATM 861 H LEU A 122 12.678 5.837 -15.937 1.00 0.03 H HETATM 862 H LEU A 122 10.548 7.741 -14.956 1.00 0.03 H HETATM 863 H LEU A 122 11.033 7.686 -16.685 1.00 0.03 H HETATM 864 H LEU A 122 10.067 5.235 -15.182 1.00 0.08 H HETATM 865 H LEU A 122 10.952 5.649 -17.862 1.00 0.19 H HETATM 866 CB LEU A 122 8.931 3.964 -20.050 1.00 -0.01 C HETATM 867 CG LEU A 122 7.937 2.861 -20.044 1.00 -0.03 C HETATM 868 CD LEU A 122 8.699 1.619 -19.665 1.00 0.04 C HETATM 869 H LEU A 122 8.079 0.949 -19.052 1.00 0.05 H HETATM 870 H LEU A 122 9.045 1.081 -20.560 1.00 0.05 H HETATM 871 H LEU A 122 7.489 2.745 -21.042 1.00 0.03 H HETATM 872 H LEU A 122 7.146 3.064 -19.308 1.00 0.03 H HETATM 873 H LEU A 122 9.423 4.036 -21.031 1.00 0.03 H HETATM 874 H LEU A 122 8.447 4.923 -19.811 1.00 0.03 H HETATM 875 H LEU A 122 10.959 3.899 -19.250 1.00 0.08 H HETATM 876 CB LEU A 122 9.193 -0.241 -16.829 1.00 -0.01 C HETATM 877 CG LEU A 122 9.891 -0.468 -15.536 1.00 -0.03 C HETATM 878 CD LEU A 122 11.184 -1.140 -15.857 1.00 0.04 C HETATM 879 H LEU A 122 11.978 -0.817 -15.168 1.00 0.05 H HETATM 880 H LEU A 122 11.082 -2.234 -15.812 1.00 0.05 H HETATM 881 H LEU A 122 9.281 -1.111 -14.884 1.00 0.03 H HETATM 882 H LEU A 122 10.078 0.492 -15.033 1.00 0.03 H HETATM 883 H LEU A 122 8.595 -1.121 -17.108 1.00 0.03 H HETATM 884 H LEU A 122 8.540 0.642 -16.768 1.00 0.03 H HETATM 885 H LEU A 122 10.071 -0.459 -18.811 1.00 0.08 H HETATM 886 CB LEU A 122 14.907 -0.448 -17.147 1.00 -0.01 C HETATM 887 CG LEU A 122 14.625 0.694 -16.199 1.00 -0.04 C HETATM 888 CD LEU A 122 15.710 1.742 -16.355 1.00 -0.01 C HETATM 889 CE LEU A 122 15.631 2.794 -15.276 1.00 -0.04 C HETATM 890 NZ LEU A 122 16.728 3.785 -15.448 1.00 0.22 N HETATM 891 H LEU A 122 16.667 4.483 -14.723 1.00 0.20 H HETATM 892 H LEU A 122 16.642 4.228 -16.349 1.00 0.20 H HETATM 893 H LEU A 122 17.618 3.315 -15.388 1.00 0.20 H HETATM 894 H LEU A 122 15.726 2.313 -14.291 1.00 0.08 H HETATM 895 H LEU A 122 14.661 3.309 -15.341 1.00 0.08 H HETATM 896 H LEU A 122 15.598 2.228 -17.335 1.00 0.03 H HETATM 897 H LEU A 122 16.692 1.249 -16.301 1.00 0.03 H HETATM 898 H LEU A 122 14.618 0.322 -15.164 1.00 0.03 H HETATM 899 H LEU A 122 13.647 1.137 -16.436 1.00 0.03 H HETATM 900 H LEU A 122 15.088 -0.025 -18.146 1.00 0.03 H HETATM 901 H LEU A 122 15.814 -0.964 -16.798 1.00 0.03 H HETATM 902 H LEU A 122 13.520 -1.830 -16.263 1.00 0.08 H HETATM 903 H LEU A 122 15.108 -2.505 -18.593 1.00 0.19 H HETATM 904 CB LEU A 122 13.401 -4.831 -20.355 1.00 -0.01 C HETATM 905 CG LEU A 122 13.301 -6.276 -20.711 1.00 -0.03 C HETATM 906 CD LEU A 122 13.096 -6.963 -19.395 1.00 0.04 C HETATM 907 H LEU A 122 12.032 -6.972 -19.114 1.00 0.05 H HETATM 908 H LEU A 122 13.476 -7.995 -19.424 1.00 0.05 H HETATM 909 H LEU A 122 14.226 -6.624 -21.193 1.00 0.03 H HETATM 910 H LEU A 122 12.448 -6.455 -21.382 1.00 0.03 H HETATM 911 H LEU A 122 13.970 -4.282 -21.120 1.00 0.03 H HETATM 912 H LEU A 122 12.400 -4.387 -20.253 1.00 0.03 H HETATM 913 H LEU A 122 15.217 -4.649 -19.160 1.00 0.08 H HETATM 914 CB LEU A 122 12.780 -7.755 -15.853 1.00 -0.01 C HETATM 915 CG LEU A 122 13.031 -8.690 -14.714 1.00 -0.03 C HETATM 916 CD LEU A 122 14.479 -8.471 -14.384 1.00 0.04 C HETATM 917 H LEU A 122 14.605 -7.612 -13.708 1.00 0.05 H HETATM 918 H LEU A 122 14.920 -9.368 -13.924 1.00 0.05 H HETATM 919 H LEU A 122 12.851 -9.732 -15.016 1.00 0.03 H HETATM 920 H LEU A 122 12.391 -8.441 -13.854 1.00 0.03 H HETATM 921 H LEU A 122 11.924 -8.095 -16.454 1.00 0.03 H HETATM 922 H LEU A 122 12.589 -6.736 -15.485 1.00 0.03 H HETATM 923 H LEU A 122 13.996 -8.546 -17.483 1.00 0.08 H HETATM 924 CB LEU A 122 17.646 -7.444 -14.128 1.00 -0.02 C HETATM 925 H LEU A 122 16.710 -7.137 -13.638 1.00 0.03 H HETATM 926 H LEU A 122 18.027 -6.615 -14.742 1.00 0.03 H HETATM 927 H LEU A 122 18.392 -7.706 -13.363 1.00 0.03 H HETATM 928 H LEU A 122 17.002 -9.476 -14.390 1.00 0.08 H HETATM 929 H LEU A 122 18.759 -8.817 -16.626 1.00 0.19 H HETATM 930 CB LEU A 122 20.839 -11.618 -16.101 1.00 0.01 C HETATM 931 CG LEU A 122 19.644 -12.182 -16.871 1.00 -0.04 C HETATM 932 CD1 LEU A 122 19.475 -11.554 -18.246 1.00 -0.06 C HETATM 933 H LEU A 122 18.603 -11.999 -18.748 1.00 0.02 H HETATM 934 H LEU A 122 20.378 -11.739 -18.847 1.00 0.02 H HETATM 935 H LEU A 122 19.322 -10.470 -18.138 1.00 0.02 H HETATM 936 CD2 LEU A 122 19.796 -13.684 -16.982 1.00 -0.06 C HETATM 937 H LEU A 122 19.917 -14.116 -15.977 1.00 0.02 H HETATM 938 H LEU A 122 20.682 -13.919 -17.591 1.00 0.02 H HETATM 939 H LEU A 122 18.900 -14.109 -17.459 1.00 0.02 H HETATM 940 H LEU A 122 18.734 -11.966 -16.292 1.00 0.03 H HETATM 941 H LEU A 122 20.896 -12.132 -15.130 1.00 0.03 H HETATM 942 H LEU A 122 21.751 -11.826 -16.680 1.00 0.03 H HETATM 943 H LEU A 122 20.728 -9.597 -16.809 1.00 0.11 H HETATM 944 H LEU A 122 22.794 -9.887 -15.632 1.00 0.20 H HETATM 945 H LEU A 122 22.006 -10.137 -14.209 1.00 0.20 H HETATM 946 H LEU A 122 21.913 -8.673 -14.955 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 789 790 944 945 946 CONECT 790 789 791 930 943 CONECT 791 790 792 793 CONECT 792 791 CONECT 793 791 794 929 CONECT 794 793 795 924 928 CONECT 795 794 796 797 CONECT 796 795 CONECT 797 795 798 916 CONECT 798 797 799 914 923 CONECT 799 798 800 801 CONECT 800 799 CONECT 801 799 802 906 CONECT 802 801 803 904 913 CONECT 803 802 804 805 CONECT 804 803 CONECT 805 803 806 903 CONECT 806 805 807 886 902 CONECT 807 806 808 809 CONECT 808 807 CONECT 809 807 810 878 CONECT 810 809 811 876 885 CONECT 811 810 812 813 CONECT 812 811 CONECT 813 811 814 868 CONECT 814 813 815 866 875 CONECT 815 814 816 817 CONECT 816 815 CONECT 817 815 818 865 CONECT 818 817 819 851 864 CONECT 819 818 820 821 CONECT 820 819 CONECT 821 819 822 843 CONECT 822 821 823 841 850 CONECT 823 822 824 825 CONECT 824 823 CONECT 825 823 826 840 CONECT 826 825 827 830 839 CONECT 827 826 828 829 CONECT 828 827 CONECT 829 827 CONECT 830 826 831 837 838 CONECT 831 830 832 835 836 CONECT 832 831 833 834 CONECT 833 832 CONECT 834 832 CONECT 835 831 CONECT 836 831 CONECT 837 830 CONECT 838 830 CONECT 839 826 CONECT 840 825 CONECT 841 822 842 848 849 CONECT 842 841 843 846 847 CONECT 843 821 842 844 845 CONECT 844 843 CONECT 845 843 CONECT 846 842 CONECT 847 842 CONECT 848 841 CONECT 849 841 CONECT 850 822 CONECT 851 818 852 862 863 CONECT 852 851 853 857 861 CONECT 853 852 854 855 856 CONECT 854 853 CONECT 855 853 CONECT 856 853 CONECT 857 852 858 859 860 CONECT 858 857 CONECT 859 857 CONECT 860 857 CONECT 861 852 CONECT 862 851 CONECT 863 851 CONECT 864 818 CONECT 865 817 CONECT 866 814 867 873 874 CONECT 867 866 868 871 872 CONECT 868 813 867 869 870 CONECT 869 868 CONECT 870 868 CONECT 871 867 CONECT 872 867 CONECT 873 866 CONECT 874 866 CONECT 875 814 CONECT 876 810 877 883 884 CONECT 877 876 878 881 882 CONECT 878 809 877 879 880 CONECT 879 878 CONECT 880 878 CONECT 881 877 CONECT 882 877 CONECT 883 876 CONECT 884 876 CONECT 885 810 CONECT 886 806 887 900 901 CONECT 887 886 888 898 899 CONECT 888 887 889 896 897 CONECT 889 888 890 894 895 CONECT 890 889 891 892 893 CONECT 891 890 CONECT 892 890 CONECT 893 890 CONECT 894 889 CONECT 895 889 CONECT 896 888 CONECT 897 888 CONECT 898 887 CONECT 899 887 CONECT 900 886 CONECT 901 886 CONECT 902 806 CONECT 903 805 CONECT 904 802 905 911 912 CONECT 905 904 906 909 910 CONECT 906 801 905 907 908 CONECT 907 906 CONECT 908 906 CONECT 909 905 CONECT 910 905 CONECT 911 904 CONECT 912 904 CONECT 913 802 CONECT 914 798 915 921 922 CONECT 915 914 916 919 920 CONECT 916 797 915 917 918 CONECT 917 916 CONECT 918 916 CONECT 919 915 CONECT 920 915 CONECT 921 914 CONECT 922 914 CONECT 923 798 CONECT 924 794 925 926 927 CONECT 925 924 CONECT 926 924 CONECT 927 924 CONECT 928 794 CONECT 929 793 CONECT 930 790 931 941 942 CONECT 931 930 932 936 940 CONECT 932 931 933 934 935 CONECT 933 932 CONECT 934 932 CONECT 935 932 CONECT 936 931 937 938 939 CONECT 937 936 CONECT 938 936 CONECT 939 936 CONECT 940 931 CONECT 941 930 CONECT 942 930 CONECT 943 790 CONECT 944 789 CONECT 945 789 CONECT 946 789 MASTER 0 0 0 0 0 0 0 0 945 1 162 6 END
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11-mer
3e8u
RCSB PDB
PDBbind
11-mer
3eov
RCSB PDB
PDBbind
11-mer
3eyf
RCSB PDB
PDBbind
11-mer
3gxz
RCSB PDB
PDBbind
11-mer
3i90
RCSB PDB
PDBbind
11-mer
3iiw
RCSB PDB
PDBbind
11-mer
3iiy
RCSB PDB
PDBbind
11-mer
3ij0
RCSB PDB
PDBbind
11-mer
3ij1
RCSB PDB
PDBbind
11-mer
3lgl
RCSB PDB
PDBbind
11-mer
3ll8
RCSB PDB
PDBbind
11-mer
3m53
RCSB PDB
PDBbind
11-mer
3m54
RCSB PDB
PDBbind
11-mer
3m55
RCSB PDB
PDBbind
11-mer
3m56
RCSB PDB
PDBbind
11-mer
3m57
RCSB PDB
PDBbind
11-mer
3m58
RCSB PDB
PDBbind
11-mer
3m59
RCSB PDB
PDBbind
11-mer
3m5a
RCSB PDB
PDBbind
11-mer
3me9
RCSB PDB
PDBbind
11-mer
3mea
RCSB PDB
PDBbind
11-mer
3met
RCSB PDB
PDBbind
11-mer
3oap
RCSB PDB
PDBbind
11-mer
3odi
RCSB PDB
PDBbind
11-mer
3odl
RCSB PDB
PDBbind
11-mer
3p4f
RCSB PDB
PDBbind
11-mer
3p9h
RCSB PDB
PDBbind
11-mer
3pqz
RCSB PDB
PDBbind
11-mer
3qzv
RCSB PDB
PDBbind
11-mer
3rbq
RCSB PDB
PDBbind
11-mer
3rl7
RCSB PDB
PDBbind
11-mer
3rl8
RCSB PDB
PDBbind
11-mer
3rwd
RCSB PDB
PDBbind
11-mer
3tg5
RCSB PDB
PDBbind
11-mer
3u0t
RCSB PDB
PDBbind
11-mer
3uvk
RCSB PDB
PDBbind
11-mer
3uvl
RCSB PDB
PDBbind
11-mer
3uvn
RCSB PDB
PDBbind
11-mer
3uvo
RCSB PDB
PDBbind
11-mer
3uvx
RCSB PDB
PDBbind
11-mer
3uw9
RCSB PDB
PDBbind
11-mer
3v2x
RCSB PDB
PDBbind
11-mer
3va4
RCSB PDB
PDBbind
11-mer
3zke
RCSB PDB
PDBbind
11-mer
3zkf
RCSB PDB
PDBbind
11-mer
4aa2
RCSB PDB
PDBbind
11-mer
4b8o
RCSB PDB
PDBbind
11-mer
4bd3
RCSB PDB
PDBbind
11-mer
4ds1
RCSB PDB
PDBbind
11-mer
4e9c
RCSB PDB
PDBbind
11-mer
4fgy
RCSB PDB
PDBbind
11-mer
4g69
RCSB PDB
PDBbind
11-mer
4ht6
RCSB PDB
PDBbind
11-mer
4htp
RCSB PDB
PDBbind
11-mer
4hyb
RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4jjm
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
5xhz
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
4ln2
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
The second SH3 domain from CAP/Ponsin, SH3b
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
1(Å)
Affinity (Kd/Ki/IC50)
Kd=248uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Struct.Biol. Vol. 187: pp. 194-205
Ligand Properties
Formula
C
5
1
H
8
5
N
1
1
O
1
3
Molecular Weight
1060.290
Exact Mass
1059.630
No. of atoms
160
No. of bonds
164
Polar Surface Area
347.83
LOGP Value
-1.82 (
Computed with XLOGP3
)
-0.78 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 32
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 5
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCC(=O)O)CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH3+])C
InChI String
InChI=1S/C51H83N11O13/c1-29(2)27-32(53)42(65)54-31(5)46(69)61-25-11-17-39(61)49(72)59-23-9-15-37(59)43(66)55-33(13-6-7-21-52)47(70)62-26-12-18-40(62)50(73)60-24-10-16-38(60)45(68)57-35(28-30(3)4)48(71)58-22-8-14-36(58)44(67)56-34(51(74)75)19-20-41(63)64/h29-40H,6-28,52-53H2,1-5H3,(H,54,65)(H,55,66)(H,56,67)(H,57,68)(H,63,64)(H,74,75)/p+2/t31-,32-,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9BX66
P18206
Entrez Gene ID
NCBI Entrez Gene ID:
10580
7414
ASD
Information of known allosteric effects of PDB entries
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