Browse entries in the PDBbind-CN Database
HEADER 4F14_COMPLEX COMPND 4F14_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 56 THR TYR ARG ALA MET TYR ASP TYR SER ALA GLN ASP GLU SEQRES 2 A 56 ASP GLU VAL SER PHE ARG ASP GLY ASP TYR ILE VAL ASN SEQRES 3 A 56 VAL GLN PRO ILE ASP ASP GLY TRP MET TYR GLY THR VAL SEQRES 4 A 56 GLN ARG THR GLY ARG THR GLY MET LEU PRO ALA ASN TYR SEQRES 5 A 56 ILE GLU PHE VAL HET ZN A 1 1 HET PRO A 162 162 ATOM 1 N THR A 958 -8.342 -12.667 4.537 1.00 19.50 N ATOM 2 CA THR A 958 -9.165 -11.635 3.910 1.00 20.32 C ATOM 3 C THR A 958 -9.691 -10.541 4.877 1.00 20.62 C ATOM 4 O THR A 958 -10.164 -10.791 5.997 1.00 22.98 O ATOM 5 CB THR A 958 -10.326 -12.273 3.112 1.00 21.09 C ATOM 6 OG1 THR A 958 -9.773 -13.242 2.205 1.00 23.50 O ATOM 7 CG2 THR A 958 -11.107 -11.195 2.341 1.00 20.04 C ATOM 8 HA THR A 958 -8.496 -11.109 3.229 1.00 0.00 H ATOM 9 HB THR A 958 -11.022 -12.760 3.795 1.00 0.00 H ATOM 10 HG1 THR A 958 -9.292 -13.938 2.720 1.00 0.00 H ATOM 11 HG23 THR A 958 -11.517 -10.472 3.046 1.00 0.00 H ATOM 12 HG21 THR A 958 -10.436 -10.688 1.647 1.00 0.00 H ATOM 13 HG22 THR A 958 -11.919 -11.664 1.786 1.00 0.00 H ATOM 14 HN3 THR A 958 -8.898 -13.156 5.268 1.00 0.00 H ATOM 15 HN2 THR A 958 -7.507 -12.226 4.972 1.00 0.00 H ATOM 16 HN1 THR A 958 -8.038 -13.352 3.816 1.00 0.00 H ATOM 17 N TYR A 959 -9.623 -9.319 4.377 1.00 17.19 N ATOM 18 CA TYR A 959 -9.994 -8.102 5.097 1.00 13.60 C ATOM 19 C TYR A 959 -10.966 -7.312 4.215 1.00 12.00 C ATOM 20 O TYR A 959 -11.183 -7.647 3.050 1.00 12.97 O ATOM 21 CB TYR A 959 -8.725 -7.295 5.345 1.00 14.25 C ATOM 22 CG TYR A 959 -7.764 -7.874 6.374 1.00 16.25 C ATOM 23 CD1 TYR A 959 -7.185 -9.121 6.204 1.00 17.77 C ATOM 24 CD2 TYR A 959 -7.415 -7.143 7.497 1.00 17.22 C ATOM 25 CE1 TYR A 959 -6.287 -9.630 7.132 1.00 19.76 C ATOM 26 CE2 TYR A 959 -6.494 -7.638 8.428 1.00 18.89 C ATOM 27 CZ TYR A 959 -5.944 -8.881 8.228 1.00 20.46 C ATOM 28 OH TYR A 959 -5.040 -9.402 9.128 1.00 23.58 O ATOM 29 HA TYR A 959 -10.470 -8.326 6.051 1.00 0.00 H ATOM 30 HB3 TYR A 959 -9.020 -6.302 5.684 1.00 0.00 H ATOM 31 HB2 TYR A 959 -8.191 -7.211 4.398 1.00 0.00 H ATOM 32 HD2 TYR A 959 -7.866 -6.164 7.659 1.00 0.00 H ATOM 33 HE2 TYR A 959 -6.217 -7.045 9.300 1.00 0.00 H ATOM 34 HE1 TYR A 959 -5.856 -10.621 6.990 1.00 0.00 H ATOM 35 HD1 TYR A 959 -7.439 -9.713 5.325 1.00 0.00 H ATOM 36 HH TYR A 959 -4.753 -10.299 8.824 1.00 0.00 H ATOM 37 H TYR A 959 -9.281 -9.216 3.400 1.00 0.00 H ATOM 38 N ARG A 960 -11.543 -6.256 4.759 1.00 11.84 N ATOM 39 CA ARG A 960 -12.425 -5.385 3.973 1.00 11.80 C ATOM 40 C ARG A 960 -12.080 -3.927 4.250 1.00 10.95 C ATOM 41 O ARG A 960 -11.932 -3.513 5.388 1.00 12.16 O ATOM 42 CB ARG A 960 -13.881 -5.711 4.294 1.00 14.09 C ATOM 43 CG ARG A 960 -14.925 -5.025 3.414 1.00 15.99 C ATOM 44 CD ARG A 960 -16.323 -5.525 3.756 1.00 18.26 C ATOM 45 NE ARG A 960 -16.618 -5.210 5.146 1.00 19.47 N ATOM 46 CZ ARG A 960 -17.337 -5.954 5.982 1.00 22.35 C ATOM 47 NH1 ARG A 960 -17.508 -5.530 7.229 1.00 24.60 N ATOM 48 NH2 ARG A 960 -17.890 -7.099 5.599 1.00 23.59 N ATOM 49 HA ARG A 960 -12.279 -5.557 2.907 1.00 0.00 H ATOM 50 HB2 ARG A 960 -14.013 -6.788 4.193 1.00 0.00 H ATOM 51 HB3 ARG A 960 -14.070 -5.419 5.327 1.00 0.00 H ATOM 52 HG2 ARG A 960 -14.879 -3.948 3.576 1.00 0.00 H ATOM 53 HG3 ARG A 960 -14.712 -5.243 2.368 1.00 0.00 H ATOM 54 HD2 ARG A 960 -16.371 -6.604 3.608 1.00 0.00 H ATOM 55 HD3 ARG A 960 -17.053 -5.038 3.109 1.00 0.00 H ATOM 56 HE ARG A 960 -16.231 -4.320 5.520 1.00 0.00 H ATOM 57 HH12 ARG A 960 -18.067 -6.096 7.899 1.00 0.00 H ATOM 58 HH11 ARG A 960 -17.083 -4.632 7.536 1.00 0.00 H ATOM 59 HH22 ARG A 960 -18.447 -7.659 6.275 1.00 0.00 H ATOM 60 HH21 ARG A 960 -17.766 -7.435 4.623 1.00 0.00 H ATOM 61 H ARG A 960 -11.370 -6.038 5.761 1.00 0.00 H ATOM 62 N ALA A 961 -11.996 -3.132 3.190 1.00 10.31 N ATOM 63 CA ALA A 961 -11.711 -1.696 3.322 1.00 10.64 C ATOM 64 C ALA A 961 -12.895 -0.989 3.985 1.00 11.05 C ATOM 65 O ALA A 961 -14.061 -1.298 3.689 1.00 12.37 O ATOM 66 CB ALA A 961 -11.440 -1.082 1.955 1.00 11.02 C ATOM 67 HA ALA A 961 -10.825 -1.571 3.944 1.00 0.00 H ATOM 68 HB1 ALA A 961 -10.581 -1.575 1.500 1.00 0.00 H ATOM 69 HB2 ALA A 961 -12.315 -1.214 1.319 1.00 0.00 H ATOM 70 HB3 ALA A 961 -11.231 -0.019 2.071 1.00 0.00 H ATOM 71 H ALA A 961 -12.135 -3.536 2.242 1.00 0.00 H ATOM 72 N MET A 962 -12.577 -0.049 4.869 1.00 11.59 N ATOM 73 CA MET A 962 -13.546 0.805 5.540 1.00 13.12 C ATOM 74 C MET A 962 -13.673 2.185 4.936 1.00 12.03 C ATOM 75 O MET A 962 -14.560 2.945 5.342 1.00 13.40 O ATOM 76 CB MET A 962 -13.120 1.030 7.006 1.00 16.29 C ATOM 77 CG MET A 962 -13.014 -0.206 7.816 1.00 18.13 C ATOM 78 SD MET A 962 -12.683 0.173 9.539 1.00 18.25 S ATOM 79 CE MET A 962 -11.042 0.894 9.518 1.00 20.39 C ATOM 80 HA MET A 962 -14.497 0.282 5.441 1.00 0.00 H ATOM 81 HB2 MET A 962 -12.147 1.521 7.006 1.00 0.00 H ATOM 82 HB3 MET A 962 -13.855 1.683 7.477 1.00 0.00 H ATOM 83 HG2 MET A 962 -12.203 -0.820 7.424 1.00 0.00 H ATOM 84 HG3 MET A 962 -13.951 -0.758 7.747 1.00 0.00 H ATOM 85 HE1 MET A 962 -10.334 0.171 9.113 1.00 0.00 H ATOM 86 HE2 MET A 962 -11.047 1.788 8.894 1.00 0.00 H ATOM 87 HE3 MET A 962 -10.750 1.160 10.534 1.00 0.00 H ATOM 88 H MET A 962 -11.571 0.085 5.096 1.00 0.00 H ATOM 89 N TYR A 963 -12.755 2.544 4.038 1.00 11.04 N ATOM 90 CA TYR A 963 -12.699 3.836 3.367 1.00 12.31 C ATOM 91 C TYR A 963 -12.142 3.647 1.960 1.00 11.52 C ATOM 92 O TYR A 963 -11.396 2.715 1.699 1.00 12.29 O ATOM 93 CB TYR A 963 -11.763 4.783 4.095 1.00 12.69 C ATOM 94 CG TYR A 963 -12.071 5.057 5.548 1.00 11.97 C ATOM 95 CD1 TYR A 963 -13.108 5.903 5.915 1.00 12.47 C ATOM 96 CD2 TYR A 963 -11.301 4.510 6.554 1.00 11.54 C ATOM 97 CE1 TYR A 963 -13.363 6.203 7.233 1.00 12.59 C ATOM 98 CE2 TYR A 963 -11.547 4.784 7.867 1.00 11.60 C ATOM 99 CZ TYR A 963 -12.573 5.648 8.209 1.00 11.76 C ATOM 100 OH TYR A 963 -12.845 5.947 9.526 1.00 12.86 O ATOM 101 HA TYR A 963 -13.707 4.249 3.348 1.00 0.00 H ATOM 102 HB3 TYR A 963 -11.782 5.737 3.568 1.00 0.00 H ATOM 103 HB2 TYR A 963 -10.760 4.360 4.044 1.00 0.00 H ATOM 104 HD2 TYR A 963 -10.478 3.844 6.293 1.00 0.00 H ATOM 105 HE2 TYR A 963 -10.938 4.324 8.645 1.00 0.00 H ATOM 106 HE1 TYR A 963 -14.181 6.872 7.499 1.00 0.00 H ATOM 107 HD1 TYR A 963 -13.736 6.341 5.139 1.00 0.00 H ATOM 108 HH TYR A 963 -13.607 6.577 9.569 1.00 0.00 H ATOM 109 H TYR A 963 -12.021 1.847 3.798 1.00 0.00 H ATOM 110 N ASP A 964 -12.421 4.604 1.097 1.00 11.55 N ATOM 111 CA ASP A 964 -11.690 4.752 -0.157 1.00 11.98 C ATOM 112 C ASP A 964 -10.265 5.210 0.134 1.00 11.67 C ATOM 113 O ASP A 964 -10.014 5.962 1.077 1.00 12.25 O ATOM 114 CB ASP A 964 -12.307 5.832 -1.047 1.00 12.92 C ATOM 115 CG ASP A 964 -13.707 5.508 -1.576 1.00 15.00 C ATOM 116 OD1 ASP A 964 -14.289 4.431 -1.382 1.00 14.81 O ATOM 117 OD2 ASP A 964 -14.250 6.417 -2.234 1.00 19.81 O ATOM 118 HA ASP A 964 -11.722 3.784 -0.658 1.00 0.00 H ATOM 119 HB2 ASP A 964 -12.368 6.754 -0.469 1.00 0.00 H ATOM 120 HB3 ASP A 964 -11.648 5.984 -1.902 1.00 0.00 H ATOM 121 H ASP A 964 -13.186 5.274 1.317 1.00 0.00 H ATOM 122 N TYR A 965 -9.355 4.810 -0.744 1.00 11.82 N ATOM 123 CA TYR A 965 -7.962 5.234 -0.692 1.00 11.80 C ATOM 124 C TYR A 965 -7.390 5.337 -2.092 1.00 12.27 C ATOM 125 O TYR A 965 -7.553 4.431 -2.895 1.00 12.53 O ATOM 126 CB TYR A 965 -7.099 4.243 0.118 1.00 11.72 C ATOM 127 CG TYR A 965 -5.661 4.713 0.301 1.00 11.62 C ATOM 128 CD1 TYR A 965 -5.371 5.808 1.092 1.00 11.85 C ATOM 129 CD2 TYR A 965 -4.596 4.062 -0.306 1.00 11.74 C ATOM 130 CE1 TYR A 965 -4.081 6.253 1.265 1.00 12.28 C ATOM 131 CE2 TYR A 965 -3.280 4.490 -0.136 1.00 12.34 C ATOM 132 CZ TYR A 965 -3.033 5.605 0.660 1.00 12.06 C ATOM 133 OH TYR A 965 -1.746 6.072 0.837 1.00 13.80 O ATOM 134 HA TYR A 965 -7.940 6.208 -0.203 1.00 0.00 H ATOM 135 HB3 TYR A 965 -7.088 3.286 -0.403 1.00 0.00 H ATOM 136 HB2 TYR A 965 -7.550 4.114 1.102 1.00 0.00 H ATOM 137 HD2 TYR A 965 -4.794 3.192 -0.933 1.00 0.00 H ATOM 138 HE2 TYR A 965 -2.458 3.960 -0.618 1.00 0.00 H ATOM 139 HE1 TYR A 965 -3.889 7.127 1.887 1.00 0.00 H ATOM 140 HD1 TYR A 965 -6.185 6.333 1.592 1.00 0.00 H ATOM 141 HH TYR A 965 -1.763 6.865 1.429 1.00 0.00 H ATOM 142 H TYR A 965 -9.649 4.164 -1.504 1.00 0.00 H ATOM 143 N SER A 966 -6.714 6.449 -2.369 1.00 13.87 N ATOM 144 CA SER A 966 -5.943 6.632 -3.602 1.00 15.84 C ATOM 145 C SER A 966 -4.458 6.469 -3.301 1.00 14.74 C ATOM 146 O SER A 966 -3.889 7.170 -2.438 1.00 15.97 O ATOM 147 CB SER A 966 -6.182 8.028 -4.209 1.00 19.79 C ATOM 148 OG SER A 966 -7.540 8.215 -4.535 1.00 24.05 O ATOM 149 HA SER A 966 -6.270 5.881 -4.321 1.00 0.00 H ATOM 150 HB2 SER A 966 -5.581 8.131 -5.113 1.00 0.00 H ATOM 151 HB3 SER A 966 -5.882 8.787 -3.486 1.00 0.00 H ATOM 152 HG SER A 966 -7.817 7.531 -5.195 1.00 0.00 H ATOM 153 H SER A 966 -6.734 7.226 -1.677 1.00 0.00 H ATOM 154 N ALA A 967 -3.820 5.541 -4.008 1.00 14.87 N ATOM 155 CA ALA A 967 -2.392 5.287 -3.853 1.00 14.72 C ATOM 156 C ALA A 967 -1.568 6.574 -3.966 1.00 15.81 C ATOM 157 O ALA A 967 -1.776 7.373 -4.888 1.00 17.32 O ATOM 158 CB ALA A 967 -1.927 4.286 -4.913 1.00 15.34 C ATOM 159 HA ALA A 967 -2.235 4.876 -2.856 1.00 0.00 H ATOM 160 HB1 ALA A 967 -2.475 3.352 -4.794 1.00 0.00 H ATOM 161 HB2 ALA A 967 -2.116 4.696 -5.905 1.00 0.00 H ATOM 162 HB3 ALA A 967 -0.860 4.100 -4.792 1.00 0.00 H ATOM 163 H ALA A 967 -4.358 4.976 -4.696 1.00 0.00 H ATOM 164 N GLN A 968 -0.593 6.728 -3.068 1.00 16.59 N ATOM 165 CA GLN A 968 0.253 7.921 -3.033 1.00 17.78 C ATOM 166 C GLN A 968 1.704 7.623 -3.390 1.00 17.37 C ATOM 167 O GLN A 968 2.555 8.502 -3.309 1.00 18.10 O ATOM 168 CB GLN A 968 0.211 8.542 -1.638 1.00 20.08 C ATOM 169 CG GLN A 968 -1.175 9.011 -1.218 1.00 22.73 C ATOM 170 CD GLN A 968 -1.701 10.127 -2.100 1.00 26.71 C ATOM 171 OE1 GLN A 968 -1.071 11.180 -2.238 1.00 29.52 O ATOM 172 NE2 GLN A 968 -2.867 9.907 -2.700 1.00 28.07 N ATOM 173 HA GLN A 968 -0.142 8.610 -3.780 1.00 0.00 H ATOM 174 HB2 GLN A 968 0.555 7.798 -0.919 1.00 0.00 H ATOM 175 HB3 GLN A 968 0.884 9.399 -1.622 1.00 0.00 H ATOM 176 HG2 GLN A 968 -1.862 8.167 -1.274 1.00 0.00 H ATOM 177 HG3 GLN A 968 -1.126 9.370 -0.190 1.00 0.00 H ATOM 178 HE22 GLN A 968 -3.364 9.005 -2.556 1.00 0.00 H ATOM 179 HE21 GLN A 968 -3.282 10.637 -3.314 1.00 0.00 H ATOM 180 H GLN A 968 -0.429 5.975 -2.370 1.00 0.00 H ATOM 181 N ASP A 969 1.998 6.391 -3.780 1.00 16.11 N ATOM 182 CA ASP A 969 3.337 6.032 -4.232 1.00 15.73 C ATOM 183 C ASP A 969 3.227 4.758 -5.068 1.00 16.19 C ATOM 184 O ASP A 969 2.196 4.069 -5.053 1.00 16.86 O ATOM 185 CB ASP A 969 4.292 5.862 -3.046 1.00 17.17 C ATOM 186 CG ASP A 969 5.747 6.107 -3.409 1.00 20.50 C ATOM 187 OD1 ASP A 969 6.069 6.269 -4.607 1.00 18.61 O ATOM 188 OD2 ASP A 969 6.587 6.115 -2.479 1.00 23.75 O ATOM 189 HA ASP A 969 3.756 6.830 -4.845 1.00 0.00 H ATOM 190 HB2 ASP A 969 4.006 6.568 -2.266 1.00 0.00 H ATOM 191 HB3 ASP A 969 4.196 4.845 -2.667 1.00 0.00 H ATOM 192 H ASP A 969 1.256 5.663 -3.763 1.00 0.00 H ATOM 193 N GLU A 970 4.286 4.450 -5.809 1.00 17.07 N ATOM 194 CA GLU A 970 4.249 3.381 -6.790 1.00 17.74 C ATOM 195 C GLU A 970 4.107 1.997 -6.179 1.00 16.59 C ATOM 196 O GLU A 970 3.730 1.063 -6.884 1.00 18.78 O ATOM 197 CB GLU A 970 5.488 3.448 -7.684 1.00 20.64 C ATOM 198 CG GLU A 970 5.595 4.717 -8.534 1.00 23.77 C ATOM 199 CD GLU A 970 6.051 5.932 -7.745 1.00 25.40 C ATOM 200 OE1 GLU A 970 7.053 5.821 -7.023 1.00 23.31 O ATOM 201 OE2 GLU A 970 5.389 6.990 -7.826 1.00 27.25 O ATOM 202 HA GLU A 970 3.351 3.539 -7.387 1.00 0.00 H ATOM 203 HB2 GLU A 970 6.370 3.390 -7.047 1.00 0.00 H ATOM 204 HB3 GLU A 970 5.469 2.590 -8.356 1.00 0.00 H ATOM 205 HG2 GLU A 970 6.310 4.537 -9.337 1.00 0.00 H ATOM 206 HG3 GLU A 970 4.616 4.930 -8.963 1.00 0.00 H ATOM 207 H GLU A 970 5.166 4.990 -5.683 1.00 0.00 H ATOM 208 N ASP A 971 4.397 1.862 -4.887 1.00 15.40 N ATOM 209 CA ASP A 971 4.271 0.590 -4.193 1.00 15.32 C ATOM 210 C ASP A 971 2.934 0.403 -3.498 1.00 13.68 C ATOM 211 O ASP A 971 2.725 -0.634 -2.864 1.00 14.94 O ATOM 212 CB ASP A 971 5.431 0.387 -3.199 1.00 17.36 C ATOM 213 CG ASP A 971 5.564 1.524 -2.180 1.00 19.04 C ATOM 214 OD1 ASP A 971 4.807 2.522 -2.255 1.00 16.90 O ATOM 215 OD2 ASP A 971 6.475 1.433 -1.311 1.00 23.65 O ATOM 216 HA ASP A 971 4.322 -0.176 -4.967 1.00 0.00 H ATOM 217 HB2 ASP A 971 5.264 -0.545 -2.658 1.00 0.00 H ATOM 218 HB3 ASP A 971 6.361 0.317 -3.763 1.00 0.00 H ATOM 219 H ASP A 971 4.725 2.694 -4.356 1.00 0.00 H ATOM 220 N GLU A 972 2.041 1.386 -3.601 1.00 12.67 N ATOM 221 CA GLU A 972 0.737 1.329 -2.955 1.00 12.65 C ATOM 222 C GLU A 972 -0.330 0.954 -3.964 1.00 12.03 C ATOM 223 O GLU A 972 -0.132 1.094 -5.179 1.00 14.30 O ATOM 224 CB GLU A 972 0.399 2.691 -2.335 1.00 12.67 C ATOM 225 CG GLU A 972 1.404 3.144 -1.291 1.00 13.10 C ATOM 226 CD GLU A 972 1.086 4.498 -0.722 1.00 13.33 C ATOM 227 OE1 GLU A 972 -0.052 4.992 -0.909 1.00 13.70 O ATOM 228 OE2 GLU A 972 2.006 5.086 -0.105 1.00 15.22 O ATOM 229 HA GLU A 972 0.769 0.573 -2.170 1.00 0.00 H ATOM 230 HB2 GLU A 972 0.368 3.435 -3.131 1.00 0.00 H ATOM 231 HB3 GLU A 972 -0.582 2.623 -1.864 1.00 0.00 H ATOM 232 HG2 GLU A 972 1.413 2.418 -0.478 1.00 0.00 H ATOM 233 HG3 GLU A 972 2.391 3.183 -1.752 1.00 0.00 H ATOM 234 H GLU A 972 2.284 2.226 -4.164 1.00 0.00 H ATOM 235 N VAL A 973 -1.471 0.523 -3.451 1.00 11.36 N ATOM 236 CA VAL A 973 -2.642 0.255 -4.272 1.00 12.14 C ATOM 237 C VAL A 973 -3.847 1.086 -3.823 1.00 11.45 C ATOM 238 O VAL A 973 -3.995 1.435 -2.651 1.00 13.50 O ATOM 239 CB VAL A 973 -3.028 -1.244 -4.284 1.00 13.45 C ATOM 240 CG1 VAL A 973 -1.957 -2.063 -4.987 1.00 14.84 C ATOM 241 CG2 VAL A 973 -3.252 -1.781 -2.868 1.00 14.12 C ATOM 242 HA VAL A 973 -2.366 0.543 -5.286 1.00 0.00 H ATOM 243 HB VAL A 973 -3.966 -1.336 -4.831 1.00 0.00 H ATOM 244 HG11 VAL A 973 -1.852 -1.715 -6.015 1.00 0.00 H ATOM 245 HG12 VAL A 973 -1.009 -1.945 -4.463 1.00 0.00 H ATOM 246 HG13 VAL A 973 -2.246 -3.114 -4.986 1.00 0.00 H ATOM 247 HG21 VAL A 973 -2.336 -1.666 -2.288 1.00 0.00 H ATOM 248 HG22 VAL A 973 -4.058 -1.222 -2.392 1.00 0.00 H ATOM 249 HG23 VAL A 973 -3.521 -2.836 -2.919 1.00 0.00 H ATOM 250 H VAL A 973 -1.533 0.370 -2.424 1.00 0.00 H ATOM 251 N SER A 974 -4.691 1.431 -4.796 1.00 11.63 N ATOM 252 CA SER A 974 -5.934 2.138 -4.537 1.00 11.27 C ATOM 253 C SER A 974 -7.069 1.152 -4.304 1.00 11.36 C ATOM 254 O SER A 974 -7.040 0.029 -4.795 1.00 11.84 O ATOM 255 CB SER A 974 -6.284 3.038 -5.725 1.00 12.99 C ATOM 256 OG SER A 974 -5.282 4.034 -5.918 1.00 14.41 O ATOM 257 HA SER A 974 -5.801 2.748 -3.643 1.00 0.00 H ATOM 258 HB2 SER A 974 -7.241 3.525 -5.535 1.00 0.00 H ATOM 259 HB3 SER A 974 -6.360 2.428 -6.625 1.00 0.00 H ATOM 260 HG SER A 974 -5.528 4.603 -6.690 1.00 0.00 H ATOM 261 H SER A 974 -4.451 1.185 -5.777 1.00 0.00 H ATOM 262 N PHE A 975 -8.091 1.599 -3.588 1.00 10.77 N ATOM 263 CA PHE A 975 -9.259 0.761 -3.290 1.00 10.97 C ATOM 264 C PHE A 975 -10.432 1.623 -2.861 1.00 11.09 C ATOM 265 O PHE A 975 -10.295 2.824 -2.658 1.00 11.29 O ATOM 266 CB PHE A 975 -8.912 -0.329 -2.249 1.00 10.70 C ATOM 267 CG PHE A 975 -8.276 0.199 -0.987 1.00 10.29 C ATOM 268 CD1 PHE A 975 -9.052 0.615 0.075 1.00 10.83 C ATOM 269 CD2 PHE A 975 -6.895 0.251 -0.858 1.00 10.61 C ATOM 270 CE1 PHE A 975 -8.456 1.084 1.250 1.00 11.16 C ATOM 271 CE2 PHE A 975 -6.306 0.726 0.277 1.00 11.43 C ATOM 272 CZ PHE A 975 -7.084 1.116 1.348 1.00 11.42 C ATOM 273 HA PHE A 975 -9.557 0.237 -4.198 1.00 0.00 H ATOM 274 HB2 PHE A 975 -9.832 -0.847 -1.977 1.00 0.00 H ATOM 275 HB3 PHE A 975 -8.221 -1.035 -2.710 1.00 0.00 H ATOM 276 HD2 PHE A 975 -6.268 -0.095 -1.680 1.00 0.00 H ATOM 277 HE2 PHE A 975 -5.220 0.798 0.338 1.00 0.00 H ATOM 278 HZ PHE A 975 -6.611 1.450 2.272 1.00 0.00 H ATOM 279 HE1 PHE A 975 -9.074 1.422 2.082 1.00 0.00 H ATOM 280 HD1 PHE A 975 -10.139 0.578 -0.002 1.00 0.00 H ATOM 281 H PHE A 975 -8.065 2.574 -3.226 1.00 0.00 H ATOM 282 N ARG A 976 -11.582 0.978 -2.748 1.00 11.75 N ATOM 283 CA ARG A 976 -12.817 1.616 -2.344 1.00 12.28 C ATOM 284 C ARG A 976 -13.368 0.980 -1.065 1.00 11.92 C ATOM 285 O ARG A 976 -13.166 -0.210 -0.791 1.00 12.26 O ATOM 286 CB ARG A 976 -13.854 1.439 -3.425 1.00 13.74 C ATOM 287 CG ARG A 976 -13.573 2.166 -4.700 1.00 16.17 C ATOM 288 CD ARG A 976 -14.673 1.800 -5.633 1.00 23.55 C ATOM 289 NE ARG A 976 -14.483 2.276 -6.985 1.00 29.55 N ATOM 290 CZ ARG A 976 -15.293 1.940 -7.984 1.00 33.13 C ATOM 291 NH1 ARG A 976 -16.308 1.115 -7.751 1.00 34.70 N ATOM 292 NH2 ARG A 976 -15.082 2.409 -9.206 1.00 33.45 N ATOM 293 HA ARG A 976 -12.606 2.671 -2.170 1.00 0.00 H ATOM 294 HB2 ARG A 976 -13.927 0.375 -3.652 1.00 0.00 H ATOM 295 HB3 ARG A 976 -14.809 1.793 -3.038 1.00 0.00 H ATOM 296 HG2 ARG A 976 -13.564 3.242 -4.528 1.00 0.00 H ATOM 297 HG3 ARG A 976 -12.611 1.857 -5.109 1.00 0.00 H ATOM 298 HD2 ARG A 976 -15.602 2.221 -5.249 1.00 0.00 H ATOM 299 HD3 ARG A 976 -14.752 0.713 -5.660 1.00 0.00 H ATOM 300 HE ARG A 976 -13.680 2.907 -7.184 1.00 0.00 H ATOM 301 HH12 ARG A 976 -16.948 0.846 -8.526 1.00 0.00 H ATOM 302 HH11 ARG A 976 -16.463 0.738 -6.794 1.00 0.00 H ATOM 303 HH22 ARG A 976 -15.720 2.142 -9.983 1.00 0.00 H ATOM 304 HH21 ARG A 976 -14.279 3.044 -9.388 1.00 0.00 H ATOM 305 H ARG A 976 -11.599 -0.040 -2.960 1.00 0.00 H ATOM 306 N ASP A 977 -14.102 1.795 -0.314 1.00 13.00 N ATOM 307 CA ASP A 977 -14.866 1.320 0.816 1.00 13.02 C ATOM 308 C ASP A 977 -15.649 0.070 0.408 1.00 12.34 C ATOM 309 O ASP A 977 -16.333 0.074 -0.626 1.00 13.27 O ATOM 310 CB ASP A 977 -15.807 2.446 1.253 1.00 15.13 C ATOM 311 CG ASP A 977 -16.510 2.188 2.587 1.00 17.78 C ATOM 312 OD1 ASP A 977 -16.306 1.133 3.226 1.00 18.33 O ATOM 313 OD2 ASP A 977 -17.253 3.093 3.019 1.00 21.93 O ATOM 314 HA ASP A 977 -14.215 1.050 1.648 1.00 0.00 H ATOM 315 HB2 ASP A 977 -15.225 3.363 1.344 1.00 0.00 H ATOM 316 HB3 ASP A 977 -16.568 2.575 0.484 1.00 0.00 H ATOM 317 H ASP A 977 -14.127 2.808 -0.548 1.00 0.00 H ATOM 318 N GLY A 978 -15.522 -0.994 1.195 1.00 11.56 N ATOM 319 CA GLY A 978 -16.196 -2.256 0.956 1.00 11.45 C ATOM 320 C GLY A 978 -15.386 -3.290 0.201 1.00 11.42 C ATOM 321 O GLY A 978 -15.800 -4.444 0.127 1.00 12.25 O ATOM 322 HA3 GLY A 978 -17.100 -2.052 0.383 1.00 0.00 H ATOM 323 HA2 GLY A 978 -16.468 -2.681 1.922 1.00 0.00 H ATOM 324 H GLY A 978 -14.905 -0.917 2.029 1.00 0.00 H ATOM 325 N ASP A 979 -14.252 -2.887 -0.384 1.00 10.42 N ATOM 326 CA ASP A 979 -13.437 -3.814 -1.151 1.00 10.11 C ATOM 327 C ASP A 979 -12.857 -4.924 -0.274 1.00 9.69 C ATOM 328 O ASP A 979 -12.259 -4.657 0.772 1.00 10.94 O ATOM 329 CB ASP A 979 -12.263 -3.092 -1.836 1.00 10.10 C ATOM 330 CG ASP A 979 -12.625 -2.400 -3.142 1.00 11.63 C ATOM 331 OD1 ASP A 979 -13.722 -2.623 -3.680 1.00 12.78 O ATOM 332 OD2 ASP A 979 -11.750 -1.659 -3.645 1.00 12.38 O ATOM 333 HA ASP A 979 -14.100 -4.248 -1.899 1.00 0.00 H ATOM 334 HB2 ASP A 979 -11.877 -2.340 -1.148 1.00 0.00 H ATOM 335 HB3 ASP A 979 -11.485 -3.827 -2.044 1.00 0.00 H ATOM 336 H ASP A 979 -13.950 -1.897 -0.288 1.00 0.00 H ATOM 337 N TYR A 980 -12.946 -6.162 -0.763 1.00 10.09 N ATOM 338 CA TYR A 980 -12.233 -7.284 -0.171 1.00 9.83 C ATOM 339 C TYR A 980 -10.757 -7.199 -0.532 1.00 9.78 C ATOM 340 O TYR A 980 -10.391 -7.012 -1.697 1.00 10.62 O ATOM 341 CB TYR A 980 -12.807 -8.643 -0.617 1.00 10.53 C ATOM 342 CG TYR A 980 -14.268 -8.799 -0.280 1.00 10.71 C ATOM 343 CD1 TYR A 980 -14.683 -9.243 0.975 1.00 12.53 C ATOM 344 CD2 TYR A 980 -15.247 -8.461 -1.198 1.00 10.43 C ATOM 345 CE1 TYR A 980 -16.023 -9.350 1.281 1.00 12.61 C ATOM 346 CE2 TYR A 980 -16.598 -8.554 -0.883 1.00 10.71 C ATOM 347 CZ TYR A 980 -16.968 -8.987 0.348 1.00 11.40 C ATOM 348 OH TYR A 980 -18.317 -9.092 0.643 1.00 12.67 O ATOM 349 HA TYR A 980 -12.357 -7.220 0.910 1.00 0.00 H ATOM 350 HB3 TYR A 980 -12.248 -9.437 -0.121 1.00 0.00 H ATOM 351 HB2 TYR A 980 -12.687 -8.735 -1.696 1.00 0.00 H ATOM 352 HD2 TYR A 980 -14.953 -8.115 -2.189 1.00 0.00 H ATOM 353 HE2 TYR A 980 -17.354 -8.281 -1.619 1.00 0.00 H ATOM 354 HE1 TYR A 980 -16.333 -9.721 2.258 1.00 0.00 H ATOM 355 HD1 TYR A 980 -13.938 -9.509 1.724 1.00 0.00 H ATOM 356 HH TYR A 980 -18.426 -9.418 1.571 1.00 0.00 H ATOM 357 H TYR A 980 -13.545 -6.331 -1.596 1.00 0.00 H ATOM 358 N ILE A 981 -9.928 -7.375 0.480 1.00 9.90 N ATOM 359 CA ILE A 981 -8.482 -7.422 0.328 1.00 10.42 C ATOM 360 C ILE A 981 -8.033 -8.833 0.725 1.00 10.41 C ATOM 361 O ILE A 981 -8.372 -9.298 1.798 1.00 11.79 O ATOM 362 CB ILE A 981 -7.752 -6.399 1.227 1.00 11.62 C ATOM 363 CG1 ILE A 981 -8.450 -5.032 1.265 1.00 12.05 C ATOM 364 CG2 ILE A 981 -6.276 -6.277 0.797 1.00 12.88 C ATOM 365 CD1 ILE A 981 -8.607 -4.355 -0.091 1.00 12.78 C ATOM 366 HA ILE A 981 -8.232 -7.175 -0.704 1.00 0.00 H ATOM 367 HB ILE A 981 -7.789 -6.775 2.249 1.00 0.00 H ATOM 368 HG12 ILE A 981 -9.443 -5.170 1.692 1.00 0.00 H ATOM 369 HG13 ILE A 981 -7.868 -4.372 1.908 1.00 0.00 H ATOM 370 HD11 ILE A 981 -7.623 -4.193 -0.531 1.00 0.00 H ATOM 371 HD12 ILE A 981 -9.200 -4.992 -0.747 1.00 0.00 H ATOM 372 HD13 ILE A 981 -9.110 -3.397 0.039 1.00 0.00 H ATOM 373 HG21 ILE A 981 -5.790 -7.248 0.891 1.00 0.00 H ATOM 374 HG22 ILE A 981 -6.227 -5.943 -0.240 1.00 0.00 H ATOM 375 HG23 ILE A 981 -5.771 -5.554 1.437 1.00 0.00 H ATOM 376 H ILE A 981 -10.329 -7.486 1.433 1.00 0.00 H ATOM 377 N VAL A 982 -7.316 -9.509 -0.157 1.00 10.49 N ATOM 378 CA VAL A 982 -6.993 -10.911 0.015 1.00 11.73 C ATOM 379 C VAL A 982 -5.481 -11.108 0.150 1.00 10.78 C ATOM 380 O VAL A 982 -4.657 -10.261 -0.237 1.00 11.48 O ATOM 381 CB VAL A 982 -7.577 -11.798 -1.124 1.00 14.17 C ATOM 382 CG1 VAL A 982 -9.119 -11.671 -1.195 1.00 16.16 C ATOM 383 CG2 VAL A 982 -6.977 -11.488 -2.459 1.00 15.38 C ATOM 384 HA VAL A 982 -7.467 -11.238 0.941 1.00 0.00 H ATOM 385 HB VAL A 982 -7.314 -12.826 -0.876 1.00 0.00 H ATOM 386 HG11 VAL A 982 -9.553 -11.990 -0.247 1.00 0.00 H ATOM 387 HG12 VAL A 982 -9.388 -10.633 -1.388 1.00 0.00 H ATOM 388 HG13 VAL A 982 -9.498 -12.302 -1.999 1.00 0.00 H ATOM 389 HG21 VAL A 982 -7.173 -10.446 -2.711 1.00 0.00 H ATOM 390 HG22 VAL A 982 -5.901 -11.657 -2.420 1.00 0.00 H ATOM 391 HG23 VAL A 982 -7.421 -12.136 -3.215 1.00 0.00 H ATOM 392 H VAL A 982 -6.971 -9.016 -1.005 1.00 0.00 H ATOM 393 N ASN A 983 -5.118 -12.236 0.750 1.00 10.98 N ATOM 394 CA ASN A 983 -3.735 -12.574 1.051 1.00 12.22 C ATOM 395 C ASN A 983 -3.015 -11.442 1.738 1.00 11.28 C ATOM 396 O ASN A 983 -1.922 -10.997 1.341 1.00 12.29 O ATOM 397 CB ASN A 983 -2.971 -13.002 -0.189 1.00 13.40 C ATOM 398 CG ASN A 983 -1.628 -13.637 0.164 1.00 14.41 C ATOM 399 OD1 ASN A 983 -1.444 -14.196 1.266 1.00 16.37 O ATOM 400 ND2 ASN A 983 -0.673 -13.555 -0.756 1.00 15.47 N ATOM 401 HA ASN A 983 -3.772 -13.421 1.737 1.00 0.00 H ATOM 402 HB2 ASN A 983 -3.570 -13.727 -0.741 1.00 0.00 H ATOM 403 HB3 ASN A 983 -2.794 -12.127 -0.815 1.00 0.00 H ATOM 404 HD22 ASN A 983 -0.863 -13.082 -1.662 1.00 0.00 H ATOM 405 HD21 ASN A 983 0.265 -13.964 -0.570 1.00 0.00 H ATOM 406 H ASN A 983 -5.861 -12.913 1.019 1.00 0.00 H ATOM 407 N VAL A 984 -3.599 -10.980 2.819 1.00 11.09 N ATOM 408 CA VAL A 984 -3.059 -9.867 3.551 1.00 11.42 C ATOM 409 C VAL A 984 -1.952 -10.308 4.502 1.00 12.45 C ATOM 410 O VAL A 984 -2.103 -11.273 5.278 1.00 14.89 O ATOM 411 CB VAL A 984 -4.195 -9.184 4.331 1.00 12.86 C ATOM 412 CG1 VAL A 984 -3.668 -8.146 5.266 1.00 16.40 C ATOM 413 CG2 VAL A 984 -5.209 -8.569 3.358 1.00 13.16 C ATOM 414 HA VAL A 984 -2.618 -9.163 2.845 1.00 0.00 H ATOM 415 HB VAL A 984 -4.696 -9.943 4.931 1.00 0.00 H ATOM 416 HG11 VAL A 984 -2.990 -8.613 5.980 1.00 0.00 H ATOM 417 HG12 VAL A 984 -3.132 -7.385 4.698 1.00 0.00 H ATOM 418 HG13 VAL A 984 -4.499 -7.685 5.800 1.00 0.00 H ATOM 419 HG21 VAL A 984 -4.709 -7.829 2.733 1.00 0.00 H ATOM 420 HG22 VAL A 984 -5.629 -9.354 2.728 1.00 0.00 H ATOM 421 HG23 VAL A 984 -6.008 -8.089 3.923 1.00 0.00 H ATOM 422 H VAL A 984 -4.474 -11.431 3.154 1.00 0.00 H ATOM 423 N GLN A 985 -0.851 -9.561 4.467 1.00 10.66 N ATOM 424 CA GLN A 985 0.268 -9.765 5.359 1.00 10.80 C ATOM 425 C GLN A 985 0.580 -8.453 6.083 1.00 11.08 C ATOM 426 O GLN A 985 0.923 -7.471 5.442 1.00 11.94 O ATOM 427 CB GLN A 985 1.482 -10.196 4.544 1.00 12.34 C ATOM 428 CG GLN A 985 2.800 -10.100 5.283 1.00 14.02 C ATOM 429 CD GLN A 985 2.876 -11.099 6.405 1.00 14.39 C ATOM 430 OE1 GLN A 985 2.725 -12.314 6.160 1.00 15.83 O ATOM 431 NE2 GLN A 985 3.098 -10.630 7.622 1.00 13.92 N ATOM 432 HA GLN A 985 0.024 -10.536 6.090 1.00 0.00 H ATOM 433 HB2 GLN A 985 1.337 -11.232 4.239 1.00 0.00 H ATOM 434 HB3 GLN A 985 1.541 -9.563 3.659 1.00 0.00 H ATOM 435 HG2 GLN A 985 3.614 -10.290 4.583 1.00 0.00 H ATOM 436 HG3 GLN A 985 2.904 -9.096 5.694 1.00 0.00 H ATOM 437 HE22 GLN A 985 3.217 -9.608 7.772 1.00 0.00 H ATOM 438 HE21 GLN A 985 3.154 -11.284 8.429 1.00 0.00 H ATOM 439 H GLN A 985 -0.793 -8.795 3.766 1.00 0.00 H ATOM 440 N PRO A 986 0.500 -8.418 7.413 1.00 12.65 N ATOM 441 CA PRO A 986 0.918 -7.186 8.114 1.00 14.46 C ATOM 442 C PRO A 986 2.395 -6.897 7.898 1.00 15.17 C ATOM 443 O PRO A 986 3.202 -7.801 7.895 1.00 14.73 O ATOM 444 CB PRO A 986 0.641 -7.515 9.584 1.00 18.33 C ATOM 445 CG PRO A 986 0.608 -8.977 9.646 1.00 19.66 C ATOM 446 CD PRO A 986 0.020 -9.442 8.349 1.00 15.02 C ATOM 447 HA PRO A 986 0.393 -6.299 7.759 1.00 0.00 H ATOM 448 HD3 PRO A 986 0.389 -10.431 8.078 1.00 0.00 H ATOM 449 HD2 PRO A 986 -1.069 -9.461 8.392 1.00 0.00 H ATOM 450 HG3 PRO A 986 -0.012 -9.305 10.480 1.00 0.00 H ATOM 451 HG2 PRO A 986 1.617 -9.372 9.766 1.00 0.00 H ATOM 452 HB2 PRO A 986 1.434 -7.122 10.221 1.00 0.00 H ATOM 453 HB3 PRO A 986 -0.316 -7.096 9.897 1.00 0.00 H ATOM 454 N ILE A 987 2.760 -5.630 7.736 1.00 17.62 N ATOM 455 CA ILE A 987 4.187 -5.234 7.647 1.00 19.72 C ATOM 456 C ILE A 987 4.666 -4.602 8.923 1.00 20.72 C ATOM 457 O ILE A 987 5.674 -4.997 9.504 1.00 21.69 O ATOM 458 CB ILE A 987 4.420 -4.234 6.507 1.00 19.57 C ATOM 459 CG1 ILE A 987 4.037 -4.878 5.188 1.00 18.93 C ATOM 460 CG2 ILE A 987 5.893 -3.723 6.497 1.00 20.71 C ATOM 461 CD1 ILE A 987 3.914 -3.914 4.075 1.00 17.97 C ATOM 462 HA ILE A 987 4.746 -6.151 7.458 1.00 0.00 H ATOM 463 HB ILE A 987 3.789 -3.359 6.662 1.00 0.00 H ATOM 464 HG12 ILE A 987 4.800 -5.611 4.927 1.00 0.00 H ATOM 465 HG13 ILE A 987 3.079 -5.382 5.315 1.00 0.00 H ATOM 466 HD11 ILE A 987 3.145 -3.179 4.315 1.00 0.00 H ATOM 467 HD12 ILE A 987 4.868 -3.408 3.927 1.00 0.00 H ATOM 468 HD13 ILE A 987 3.638 -4.446 3.164 1.00 0.00 H ATOM 469 HG21 ILE A 987 6.111 -3.229 7.444 1.00 0.00 H ATOM 470 HG22 ILE A 987 6.568 -4.568 6.363 1.00 0.00 H ATOM 471 HG23 ILE A 987 6.026 -3.016 5.678 1.00 0.00 H ATOM 472 H ILE A 987 2.026 -4.896 7.670 1.00 0.00 H ATOM 473 N ASP A 988 3.934 -3.588 9.349 1.00 19.85 N ATOM 474 CA ASP A 988 4.183 -2.954 10.628 1.00 20.73 C ATOM 475 C ASP A 988 2.837 -2.431 11.061 1.00 20.70 C ATOM 476 O ASP A 988 1.841 -2.855 10.514 1.00 22.24 O ATOM 477 CB ASP A 988 5.262 -1.853 10.592 1.00 20.76 C ATOM 478 CG ASP A 988 4.916 -0.668 9.689 1.00 21.02 C ATOM 479 OD1 ASP A 988 3.761 -0.485 9.235 1.00 20.36 O ATOM 480 OD2 ASP A 988 5.862 0.081 9.414 1.00 23.97 O ATOM 481 HA ASP A 988 4.601 -3.668 11.337 1.00 0.00 H ATOM 482 HB2 ASP A 988 5.405 -1.480 11.606 1.00 0.00 H ATOM 483 HB3 ASP A 988 6.192 -2.296 10.235 1.00 0.00 H ATOM 484 H ASP A 988 3.159 -3.236 8.751 1.00 0.00 H ATOM 485 N ASP A 989 2.812 -1.516 12.021 1.00 22.72 N ATOM 486 CA ASP A 989 1.538 -1.024 12.543 1.00 23.03 C ATOM 487 C ASP A 989 0.778 -0.103 11.587 1.00 22.00 C ATOM 488 O ASP A 989 -0.437 0.085 11.756 1.00 23.53 O ATOM 489 CB ASP A 989 1.769 -0.293 13.864 1.00 25.81 C ATOM 490 CG ASP A 989 2.712 0.872 13.712 1.00 28.60 C ATOM 491 OD1 ASP A 989 3.834 0.654 13.199 1.00 29.30 O ATOM 492 OD2 ASP A 989 2.340 2.002 14.099 1.00 31.32 O ATOM 493 HA ASP A 989 0.914 -1.907 12.682 1.00 0.00 H ATOM 494 HB2 ASP A 989 0.812 0.075 14.234 1.00 0.00 H ATOM 495 HB3 ASP A 989 2.190 -0.994 14.585 1.00 0.00 H ATOM 496 H ASP A 989 3.705 -1.146 12.405 1.00 0.00 H ATOM 497 N GLY A 990 1.467 0.466 10.589 1.00 19.72 N ATOM 498 CA GLY A 990 0.833 1.392 9.636 1.00 17.70 C ATOM 499 C GLY A 990 0.396 0.833 8.281 1.00 14.62 C ATOM 500 O GLY A 990 -0.446 1.428 7.572 1.00 13.82 O ATOM 501 HA3 GLY A 990 1.543 2.196 9.442 1.00 0.00 H ATOM 502 HA2 GLY A 990 -0.054 1.801 10.121 1.00 0.00 H ATOM 503 H GLY A 990 2.478 0.247 10.484 1.00 0.00 H ATOM 504 N TRP A 991 0.959 -0.304 7.916 1.00 13.72 N ATOM 505 CA TRP A 991 0.921 -0.780 6.534 1.00 11.56 C ATOM 506 C TRP A 991 0.820 -2.289 6.477 1.00 11.80 C ATOM 507 O TRP A 991 1.357 -3.002 7.339 1.00 14.21 O ATOM 508 CB TRP A 991 2.178 -0.287 5.782 1.00 11.82 C ATOM 509 CG TRP A 991 2.144 1.189 5.649 1.00 11.31 C ATOM 510 CD1 TRP A 991 2.626 2.117 6.534 1.00 12.81 C ATOM 511 CD2 TRP A 991 1.482 1.917 4.630 1.00 11.04 C ATOM 512 NE1 TRP A 991 2.290 3.364 6.114 1.00 12.92 N ATOM 513 CE2 TRP A 991 1.597 3.276 4.938 1.00 12.34 C ATOM 514 CE3 TRP A 991 0.809 1.546 3.462 1.00 11.54 C ATOM 515 CZ2 TRP A 991 1.074 4.275 4.122 1.00 13.07 C ATOM 516 CZ3 TRP A 991 0.318 2.535 2.642 1.00 12.77 C ATOM 517 CH2 TRP A 991 0.434 3.889 2.981 1.00 13.52 C ATOM 518 HA TRP A 991 0.033 -0.375 6.050 1.00 0.00 H ATOM 519 HB2 TRP A 991 3.069 -0.579 6.338 1.00 0.00 H ATOM 520 HB3 TRP A 991 2.206 -0.738 4.790 1.00 0.00 H ATOM 521 HE1 TRP A 991 2.523 4.248 6.609 1.00 0.00 H ATOM 522 HD1 TRP A 991 3.192 1.889 7.437 1.00 0.00 H ATOM 523 HZ2 TRP A 991 1.172 5.328 4.385 1.00 0.00 H ATOM 524 HH2 TRP A 991 0.006 4.646 2.323 1.00 0.00 H ATOM 525 HZ3 TRP A 991 -0.172 2.259 1.708 1.00 0.00 H ATOM 526 HE3 TRP A 991 0.676 0.495 3.207 1.00 0.00 H ATOM 527 H TRP A 991 1.445 -0.879 8.634 1.00 0.00 H ATOM 528 N MET A 992 0.152 -2.769 5.439 1.00 10.34 N ATOM 529 CA MET A 992 0.064 -4.197 5.133 1.00 10.86 C ATOM 530 C MET A 992 0.304 -4.393 3.640 1.00 10.16 C ATOM 531 O MET A 992 0.177 -3.456 2.856 1.00 11.28 O ATOM 532 HA MET A 992 0.819 -4.741 5.701 1.00 0.00 H ATOM 533 H MET A 992 -0.334 -2.098 4.810 1.00 0.00 H ATOM 534 N TYR A 993 0.654 -5.609 3.236 1.00 10.01 N ATOM 535 CA TYR A 993 0.624 -6.053 1.847 1.00 9.87 C ATOM 536 C TYR A 993 -0.670 -6.776 1.607 1.00 9.64 C ATOM 537 O TYR A 993 -1.151 -7.525 2.465 1.00 11.28 O ATOM 538 CB TYR A 993 1.752 -7.062 1.535 1.00 12.31 C ATOM 539 CG TYR A 993 3.074 -6.446 1.222 1.00 14.99 C ATOM 540 CD1 TYR A 993 3.232 -5.574 0.156 1.00 17.59 C ATOM 541 CD2 TYR A 993 4.188 -6.731 2.025 1.00 17.28 C ATOM 542 CE1 TYR A 993 4.487 -5.006 -0.112 1.00 20.20 C ATOM 543 CE2 TYR A 993 5.414 -6.167 1.777 1.00 19.36 C ATOM 544 CZ TYR A 993 5.544 -5.306 0.710 1.00 21.03 C ATOM 545 OH TYR A 993 6.752 -4.726 0.435 1.00 25.34 O ATOM 546 HA TYR A 993 0.742 -5.170 1.219 1.00 0.00 H ATOM 547 HB3 TYR A 993 1.445 -7.660 0.677 1.00 0.00 H ATOM 548 HB2 TYR A 993 1.877 -7.710 2.402 1.00 0.00 H ATOM 549 HD2 TYR A 993 4.077 -7.416 2.865 1.00 0.00 H ATOM 550 HE2 TYR A 993 6.269 -6.396 2.413 1.00 0.00 H ATOM 551 HE1 TYR A 993 4.620 -4.336 -0.961 1.00 0.00 H ATOM 552 HD1 TYR A 993 2.379 -5.329 -0.476 1.00 0.00 H ATOM 553 HH TYR A 993 6.663 -4.142 -0.359 1.00 0.00 H ATOM 554 H TYR A 993 0.970 -6.289 3.957 1.00 0.00 H ATOM 555 N GLY A 994 -1.222 -6.627 0.405 1.00 9.63 N ATOM 556 CA GLY A 994 -2.411 -7.367 0.051 1.00 9.95 C ATOM 557 C GLY A 994 -2.797 -7.175 -1.397 1.00 9.45 C ATOM 558 O GLY A 994 -2.226 -6.338 -2.097 1.00 9.92 O ATOM 559 HA3 GLY A 994 -3.234 -7.030 0.681 1.00 0.00 H ATOM 560 HA2 GLY A 994 -2.230 -8.427 0.228 1.00 0.00 H ATOM 561 H GLY A 994 -0.795 -5.974 -0.283 1.00 0.00 H ATOM 562 N THR A 995 -3.787 -7.945 -1.848 1.00 9.94 N ATOM 563 CA THR A 995 -4.327 -7.816 -3.187 1.00 10.62 C ATOM 564 C THR A 995 -5.764 -7.298 -3.105 1.00 9.53 C ATOM 565 O THR A 995 -6.587 -7.858 -2.387 1.00 10.54 O ATOM 566 CB THR A 995 -4.333 -9.182 -3.933 1.00 11.88 C ATOM 567 OG1 THR A 995 -2.992 -9.674 -4.026 1.00 12.40 O ATOM 568 CG2 THR A 995 -4.957 -9.048 -5.316 1.00 13.01 C ATOM 569 HA THR A 995 -3.695 -7.120 -3.739 1.00 0.00 H ATOM 570 HB THR A 995 -4.939 -9.892 -3.370 1.00 0.00 H ATOM 571 HG1 THR A 995 -2.437 -9.024 -4.526 1.00 0.00 H ATOM 572 HG23 THR A 995 -5.976 -8.672 -5.219 1.00 0.00 H ATOM 573 HG21 THR A 995 -4.367 -8.352 -5.913 1.00 0.00 H ATOM 574 HG22 THR A 995 -4.973 -10.023 -5.802 1.00 0.00 H ATOM 575 H THR A 995 -4.188 -8.666 -1.215 1.00 0.00 H ATOM 576 N VAL A 996 -6.047 -6.225 -3.847 1.00 9.16 N ATOM 577 CA VAL A 996 -7.403 -5.686 -3.955 1.00 9.25 C ATOM 578 C VAL A 996 -8.163 -6.604 -4.932 1.00 9.72 C ATOM 579 O VAL A 996 -7.885 -6.595 -6.132 1.00 10.26 O ATOM 580 CB VAL A 996 -7.413 -4.234 -4.451 1.00 9.74 C ATOM 581 CG1 VAL A 996 -8.845 -3.692 -4.472 1.00 10.48 C ATOM 582 CG2 VAL A 996 -6.534 -3.358 -3.598 1.00 10.98 C ATOM 583 HA VAL A 996 -7.877 -5.666 -2.974 1.00 0.00 H ATOM 584 HB VAL A 996 -7.014 -4.222 -5.465 1.00 0.00 H ATOM 585 HG11 VAL A 996 -9.453 -4.302 -5.140 1.00 0.00 H ATOM 586 HG12 VAL A 996 -9.261 -3.729 -3.465 1.00 0.00 H ATOM 587 HG13 VAL A 996 -8.837 -2.661 -4.826 1.00 0.00 H ATOM 588 HG21 VAL A 996 -6.894 -3.376 -2.569 1.00 0.00 H ATOM 589 HG22 VAL A 996 -5.510 -3.730 -3.632 1.00 0.00 H ATOM 590 HG23 VAL A 996 -6.564 -2.336 -3.977 1.00 0.00 H ATOM 591 H VAL A 996 -5.277 -5.756 -4.366 1.00 0.00 H ATOM 592 N GLN A 997 -9.075 -7.436 -4.433 1.00 9.53 N ATOM 593 CA GLN A 997 -9.719 -8.430 -5.283 1.00 10.42 C ATOM 594 C GLN A 997 -10.389 -7.799 -6.503 1.00 9.64 C ATOM 595 O GLN A 997 -10.314 -8.322 -7.620 1.00 11.38 O ATOM 596 CB GLN A 997 -10.733 -9.240 -4.465 1.00 12.29 C ATOM 597 CG GLN A 997 -11.478 -10.287 -5.285 1.00 15.94 C ATOM 598 CD GLN A 997 -10.553 -11.377 -5.792 1.00 21.04 C ATOM 599 OE1 GLN A 997 -9.718 -11.878 -5.039 1.00 24.85 O ATOM 600 NE2 GLN A 997 -10.696 -11.756 -7.057 1.00 24.53 N ATOM 601 HA GLN A 997 -8.944 -9.098 -5.658 1.00 0.00 H ATOM 602 HB2 GLN A 997 -10.201 -9.746 -3.660 1.00 0.00 H ATOM 603 HB3 GLN A 997 -11.463 -8.551 -4.040 1.00 0.00 H ATOM 604 HG2 GLN A 997 -12.248 -10.741 -4.661 1.00 0.00 H ATOM 605 HG3 GLN A 997 -11.946 -9.797 -6.139 1.00 0.00 H ATOM 606 HE22 GLN A 997 -11.415 -11.304 -7.657 1.00 0.00 H ATOM 607 HE21 GLN A 997 -10.089 -12.504 -7.447 1.00 0.00 H ATOM 608 H GLN A 997 -9.330 -7.376 -3.427 1.00 0.00 H ATOM 609 N ARG A 998 -11.077 -6.692 -6.298 1.00 9.89 N ATOM 610 CA ARG A 998 -11.843 -6.071 -7.378 1.00 10.10 C ATOM 611 C ARG A 998 -10.990 -5.650 -8.580 1.00 10.08 C ATOM 612 O ARG A 998 -11.423 -5.767 -9.725 1.00 10.91 O ATOM 613 CB ARG A 998 -12.626 -4.870 -6.825 1.00 10.73 C ATOM 614 CG ARG A 998 -13.561 -4.195 -7.851 1.00 12.21 C ATOM 615 CD ARG A 998 -14.472 -3.120 -7.201 1.00 13.22 C ATOM 616 NE ARG A 998 -13.626 -2.188 -6.479 1.00 14.27 N ATOM 617 CZ ARG A 998 -12.908 -1.227 -7.035 1.00 13.70 C ATOM 618 NH1 ARG A 998 -13.064 -0.902 -8.309 1.00 14.02 N ATOM 619 NH2 ARG A 998 -12.045 -0.569 -6.292 1.00 15.25 N ATOM 620 HA ARG A 998 -12.529 -6.830 -7.755 1.00 0.00 H ATOM 621 HB2 ARG A 998 -13.231 -5.213 -5.986 1.00 0.00 H ATOM 622 HB3 ARG A 998 -11.910 -4.127 -6.475 1.00 0.00 H ATOM 623 HG2 ARG A 998 -12.953 -3.720 -8.621 1.00 0.00 H ATOM 624 HG3 ARG A 998 -14.191 -4.959 -8.307 1.00 0.00 H ATOM 625 HD2 ARG A 998 -15.171 -3.595 -6.512 1.00 0.00 H ATOM 626 HD3 ARG A 998 -15.029 -2.591 -7.974 1.00 0.00 H ATOM 627 HE ARG A 998 -13.581 -2.283 -5.444 1.00 0.00 H ATOM 628 HH12 ARG A 998 -12.489 -0.143 -8.726 1.00 0.00 H ATOM 629 HH11 ARG A 998 -13.762 -1.406 -8.893 1.00 0.00 H ATOM 630 HH22 ARG A 998 -11.471 0.190 -6.711 1.00 0.00 H ATOM 631 HH21 ARG A 998 -11.937 -0.808 -5.286 1.00 0.00 H ATOM 632 H ARG A 998 -11.075 -6.255 -5.354 1.00 0.00 H ATOM 633 N THR A 999 -9.804 -5.112 -8.308 1.00 10.55 N ATOM 634 CA THR A 999 -8.931 -4.564 -9.352 1.00 10.58 C ATOM 635 C THR A 999 -7.786 -5.482 -9.722 1.00 11.11 C ATOM 636 O THR A 999 -7.104 -5.220 -10.721 1.00 12.47 O ATOM 637 CB THR A 999 -8.322 -3.231 -8.922 1.00 11.15 C ATOM 638 OG1 THR A 999 -7.453 -3.489 -7.815 1.00 11.02 O ATOM 639 CG2 THR A 999 -9.367 -2.219 -8.558 1.00 12.69 C ATOM 640 HA THR A 999 -9.580 -4.440 -10.219 1.00 0.00 H ATOM 641 HB THR A 999 -7.768 -2.802 -9.756 1.00 0.00 H ATOM 642 HG1 THR A 999 -7.043 -2.640 -7.514 1.00 0.00 H ATOM 643 HG23 THR A 999 -10.014 -2.041 -9.417 1.00 0.00 H ATOM 644 HG21 THR A 999 -9.961 -2.596 -7.726 1.00 0.00 H ATOM 645 HG22 THR A 999 -8.883 -1.287 -8.268 1.00 0.00 H ATOM 646 H THR A 999 -9.484 -5.079 -7.319 1.00 0.00 H ATOM 647 N GLY A1000 -7.536 -6.518 -8.905 1.00 10.59 N ATOM 648 CA GLY A1000 -6.411 -7.418 -9.113 1.00 11.64 C ATOM 649 C GLY A1000 -5.041 -6.845 -8.817 1.00 11.79 C ATOM 650 O GLY A1000 -4.043 -7.479 -9.160 1.00 14.28 O ATOM 651 HA3 GLY A1000 -6.423 -7.732 -10.157 1.00 0.00 H ATOM 652 HA2 GLY A1000 -6.555 -8.287 -8.471 1.00 0.00 H ATOM 653 H GLY A1000 -8.168 -6.683 -8.096 1.00 0.00 H ATOM 654 N ARG A1001 -4.942 -5.670 -8.193 1.00 10.94 N ATOM 655 CA ARG A1001 -3.654 -5.046 -7.930 1.00 10.98 C ATOM 656 C ARG A1001 -3.151 -5.431 -6.549 1.00 10.90 C ATOM 657 O ARG A1001 -3.908 -5.460 -5.573 1.00 11.18 O ATOM 658 CB ARG A1001 -3.773 -3.525 -8.038 1.00 11.76 C ATOM 659 CG ARG A1001 -4.241 -3.018 -9.397 1.00 14.00 C ATOM 660 CD ARG A1001 -3.346 -3.459 -10.555 1.00 18.62 C ATOM 661 NE ARG A1001 -1.928 -3.158 -10.352 1.00 23.96 N ATOM 662 CZ ARG A1001 -1.316 -2.062 -10.783 1.00 28.97 C ATOM 663 NH1 ARG A1001 -0.017 -1.894 -10.550 1.00 30.92 N ATOM 664 NH2 ARG A1001 -1.989 -1.136 -11.453 1.00 30.56 N ATOM 665 HA ARG A1001 -2.940 -5.399 -8.674 1.00 0.00 H ATOM 666 HB2 ARG A1001 -4.484 -3.185 -7.285 1.00 0.00 H ATOM 667 HB3 ARG A1001 -2.794 -3.092 -7.832 1.00 0.00 H ATOM 668 HG2 ARG A1001 -5.248 -3.393 -9.577 1.00 0.00 H ATOM 669 HG3 ARG A1001 -4.260 -1.928 -9.371 1.00 0.00 H ATOM 670 HD2 ARG A1001 -3.679 -2.952 -11.460 1.00 0.00 H ATOM 671 HD3 ARG A1001 -3.454 -4.536 -10.683 1.00 0.00 H ATOM 672 HE ARG A1001 -1.358 -3.855 -9.831 1.00 0.00 H ATOM 673 HH12 ARG A1001 0.465 -1.036 -10.887 1.00 0.00 H ATOM 674 HH11 ARG A1001 0.516 -2.621 -10.031 1.00 0.00 H ATOM 675 HH22 ARG A1001 -1.503 -0.280 -11.788 1.00 0.00 H ATOM 676 HH21 ARG A1001 -3.003 -1.266 -11.644 1.00 0.00 H ATOM 677 H ARG A1001 -5.810 -5.186 -7.886 1.00 0.00 H ATOM 678 N THR A1002 -1.850 -5.686 -6.473 1.00 10.81 N ATOM 679 CA THR A1002 -1.156 -6.098 -5.250 1.00 10.62 C ATOM 680 C THR A1002 -0.118 -5.060 -4.842 1.00 10.85 C ATOM 681 O THR A1002 0.638 -4.576 -5.674 1.00 12.22 O ATOM 682 CB THR A1002 -0.444 -7.444 -5.467 1.00 11.94 C ATOM 683 OG1 THR A1002 -1.409 -8.418 -5.800 1.00 13.17 O ATOM 684 CG2 THR A1002 0.290 -7.883 -4.231 1.00 12.91 C ATOM 685 HA THR A1002 -1.903 -6.195 -4.462 1.00 0.00 H ATOM 686 HB THR A1002 0.283 -7.326 -6.270 1.00 0.00 H ATOM 687 HG1 THR A1002 -2.063 -8.498 -5.062 1.00 0.00 H ATOM 688 HG23 THR A1002 1.037 -7.134 -3.969 1.00 0.00 H ATOM 689 HG21 THR A1002 -0.418 -7.995 -3.410 1.00 0.00 H ATOM 690 HG22 THR A1002 0.781 -8.837 -4.421 1.00 0.00 H ATOM 691 H THR A1002 -1.285 -5.587 -7.341 1.00 0.00 H ATOM 692 N GLY A1003 -0.108 -4.699 -3.570 1.00 9.88 N ATOM 693 CA GLY A1003 0.892 -3.770 -3.063 1.00 10.46 C ATOM 694 C GLY A1003 0.594 -3.406 -1.629 1.00 9.93 C ATOM 695 O GLY A1003 -0.055 -4.161 -0.893 1.00 10.26 O ATOM 696 HA3 GLY A1003 0.884 -2.866 -3.672 1.00 0.00 H ATOM 697 HA2 GLY A1003 1.876 -4.236 -3.118 1.00 0.00 H ATOM 698 H GLY A1003 -0.825 -5.084 -2.922 1.00 0.00 H ATOM 699 N MET A1004 1.077 -2.242 -1.227 1.00 9.98 N ATOM 700 CA MET A1004 0.930 -1.769 0.141 1.00 10.74 C ATOM 701 C MET A1004 -0.377 -1.014 0.339 1.00 9.79 C ATOM 702 O MET A1004 -0.753 -0.207 -0.512 1.00 10.35 O ATOM 703 CB MET A1004 2.104 -0.886 0.507 1.00 12.66 C ATOM 704 CG MET A1004 3.412 -1.676 0.546 1.00 16.12 C ATOM 705 SD MET A1004 4.782 -0.703 1.089 1.00 19.65 S ATOM 706 CE MET A1004 4.154 -0.288 2.681 1.00 18.88 C ATOM 707 HA MET A1004 0.909 -2.639 0.797 1.00 0.00 H ATOM 708 HB2 MET A1004 2.193 -0.091 -0.233 1.00 0.00 H ATOM 709 HB3 MET A1004 1.925 -0.449 1.489 1.00 0.00 H ATOM 710 HG2 MET A1004 3.624 -2.049 -0.456 1.00 0.00 H ATOM 711 HG3 MET A1004 3.291 -2.518 1.227 1.00 0.00 H ATOM 712 HE1 MET A1004 3.216 0.256 2.570 1.00 0.00 H ATOM 713 HE2 MET A1004 3.981 -1.201 3.251 1.00 0.00 H ATOM 714 HE3 MET A1004 4.878 0.337 3.204 1.00 0.00 H ATOM 715 H MET A1004 1.580 -1.644 -1.913 1.00 0.00 H ATOM 716 N LEU A1005 -1.023 -1.276 1.483 1.00 10.01 N ATOM 717 CA LEU A1005 -2.262 -0.623 1.893 1.00 10.09 C ATOM 718 C LEU A1005 -2.106 -0.090 3.306 1.00 9.18 C ATOM 719 O LEU A1005 -1.495 -0.753 4.152 1.00 9.37 O ATOM 720 CB LEU A1005 -3.462 -1.614 1.918 1.00 12.38 C ATOM 721 CG LEU A1005 -3.884 -2.393 0.675 1.00 14.09 C ATOM 722 CD1 LEU A1005 -3.092 -3.655 0.546 1.00 13.69 C ATOM 723 CD2 LEU A1005 -5.374 -2.729 0.679 1.00 14.63 C ATOM 724 HA LEU A1005 -2.458 0.171 1.172 1.00 0.00 H ATOM 725 HB2 LEU A1005 -3.231 -2.356 2.682 1.00 0.00 H ATOM 726 HB3 LEU A1005 -4.332 -1.035 2.227 1.00 0.00 H ATOM 727 HG LEU A1005 -3.686 -1.746 -0.179 1.00 0.00 H ATOM 728 HD21 LEU A1005 -5.606 -3.337 1.554 1.00 0.00 H ATOM 729 HD22 LEU A1005 -5.953 -1.806 0.712 1.00 0.00 H ATOM 730 HD23 LEU A1005 -5.623 -3.283 -0.226 1.00 0.00 H ATOM 731 HD11 LEU A1005 -2.033 -3.411 0.466 1.00 0.00 H ATOM 732 HD12 LEU A1005 -3.257 -4.278 1.425 1.00 0.00 H ATOM 733 HD13 LEU A1005 -3.411 -4.193 -0.347 1.00 0.00 H ATOM 734 H LEU A1005 -0.615 -1.990 2.120 1.00 0.00 H ATOM 735 N PRO A1006 -2.737 1.046 3.605 1.00 9.48 N ATOM 736 CA PRO A1006 -2.700 1.529 4.988 1.00 10.20 C ATOM 737 C PRO A1006 -3.554 0.657 5.897 1.00 9.70 C ATOM 738 O PRO A1006 -4.740 0.427 5.642 1.00 11.17 O ATOM 739 CB PRO A1006 -3.245 2.964 4.875 1.00 12.60 C ATOM 740 CG PRO A1006 -3.930 3.043 3.597 1.00 13.10 C ATOM 741 CD PRO A1006 -3.378 2.000 2.677 1.00 10.36 C ATOM 742 HA PRO A1006 -1.705 1.498 5.432 1.00 0.00 H ATOM 743 HD3 PRO A1006 -4.173 1.519 2.107 1.00 0.00 H ATOM 744 HD2 PRO A1006 -2.649 2.429 1.990 1.00 0.00 H ATOM 745 HG3 PRO A1006 -3.778 4.031 3.162 1.00 0.00 H ATOM 746 HG2 PRO A1006 -4.997 2.873 3.744 1.00 0.00 H ATOM 747 HB2 PRO A1006 -3.940 3.169 5.689 1.00 0.00 H ATOM 748 HB3 PRO A1006 -2.426 3.682 4.909 1.00 0.00 H ATOM 749 N ALA A1007 -2.937 0.141 6.950 1.00 10.66 N ATOM 750 CA ALA A1007 -3.569 -0.865 7.813 1.00 11.92 C ATOM 751 C ALA A1007 -4.780 -0.313 8.519 1.00 10.87 C ATOM 752 O ALA A1007 -5.714 -1.048 8.847 1.00 12.05 O ATOM 753 CB ALA A1007 -2.557 -1.364 8.838 1.00 14.52 C ATOM 754 HA ALA A1007 -3.900 -1.690 7.182 1.00 0.00 H ATOM 755 HB1 ALA A1007 -1.708 -1.810 8.321 1.00 0.00 H ATOM 756 HB2 ALA A1007 -2.215 -0.527 9.446 1.00 0.00 H ATOM 757 HB3 ALA A1007 -3.028 -2.111 9.478 1.00 0.00 H ATOM 758 H ALA A1007 -1.972 0.459 7.173 1.00 0.00 H ATOM 759 N ASN A1008 -4.765 0.990 8.782 1.00 10.26 N ATOM 760 CA ASN A1008 -5.830 1.666 9.495 1.00 10.59 C ATOM 761 C ASN A1008 -7.045 1.961 8.639 1.00 10.69 C ATOM 762 O ASN A1008 -8.018 2.501 9.135 1.00 13.72 O ATOM 763 CB ASN A1008 -5.309 2.946 10.190 1.00 10.36 C ATOM 764 CG ASN A1008 -4.676 3.945 9.233 1.00 10.58 C ATOM 765 OD1 ASN A1008 -3.983 3.597 8.275 1.00 11.18 O ATOM 766 ND2 ASN A1008 -4.903 5.206 9.512 1.00 11.73 N ATOM 767 HA ASN A1008 -6.170 0.967 10.259 1.00 0.00 H ATOM 768 HB2 ASN A1008 -6.147 3.432 10.691 1.00 0.00 H ATOM 769 HB3 ASN A1008 -4.563 2.657 10.930 1.00 0.00 H ATOM 770 HD22 ASN A1008 -5.494 5.460 10.330 1.00 0.00 H ATOM 771 HD21 ASN A1008 -4.492 5.953 8.916 1.00 0.00 H ATOM 772 H ASN A1008 -3.950 1.551 8.461 1.00 0.00 H ATOM 773 N TYR A1009 -7.001 1.558 7.377 1.00 10.07 N ATOM 774 CA TYR A1009 -8.135 1.713 6.457 1.00 10.26 C ATOM 775 C TYR A1009 -8.905 0.424 6.248 1.00 11.17 C ATOM 776 O TYR A1009 -9.938 0.433 5.567 1.00 12.85 O ATOM 777 CB TYR A1009 -7.644 2.199 5.079 1.00 11.13 C ATOM 778 CG TYR A1009 -7.429 3.688 4.967 1.00 10.65 C ATOM 779 CD1 TYR A1009 -6.610 4.378 5.849 1.00 11.41 C ATOM 780 CD2 TYR A1009 -8.026 4.405 3.940 1.00 11.47 C ATOM 781 CE1 TYR A1009 -6.411 5.744 5.721 1.00 11.65 C ATOM 782 CE2 TYR A1009 -7.854 5.753 3.830 1.00 12.06 C ATOM 783 CZ TYR A1009 -7.036 6.411 4.701 1.00 12.32 C ATOM 784 OH TYR A1009 -6.868 7.775 4.589 1.00 13.47 O ATOM 785 HA TYR A1009 -8.799 2.443 6.919 1.00 0.00 H ATOM 786 HB3 TYR A1009 -8.384 1.907 4.334 1.00 0.00 H ATOM 787 HB2 TYR A1009 -6.698 1.703 4.863 1.00 0.00 H ATOM 788 HD2 TYR A1009 -8.643 3.882 3.209 1.00 0.00 H ATOM 789 HE2 TYR A1009 -8.371 6.306 3.045 1.00 0.00 H ATOM 790 HE1 TYR A1009 -5.768 6.278 6.420 1.00 0.00 H ATOM 791 HD1 TYR A1009 -6.115 3.837 6.656 1.00 0.00 H ATOM 792 HH TYR A1009 -6.247 8.089 5.294 1.00 0.00 H ATOM 793 H TYR A1009 -6.129 1.114 7.024 1.00 0.00 H ATOM 794 N ILE A1010 -8.398 -0.681 6.793 1.00 11.52 N ATOM 795 CA ILE A1010 -8.899 -2.022 6.511 1.00 12.67 C ATOM 796 C ILE A1010 -9.286 -2.728 7.803 1.00 13.00 C ATOM 797 O ILE A1010 -8.625 -2.538 8.820 1.00 14.71 O ATOM 798 CB ILE A1010 -7.758 -2.858 5.893 1.00 14.86 C ATOM 799 CG1 ILE A1010 -7.088 -2.107 4.741 1.00 16.17 C ATOM 800 CG2 ILE A1010 -8.248 -4.205 5.468 1.00 16.81 C ATOM 801 CD1 ILE A1010 -8.014 -1.830 3.617 1.00 15.89 C ATOM 802 HA ILE A1010 -9.758 -1.933 5.846 1.00 0.00 H ATOM 803 HB ILE A1010 -7.000 -3.016 6.660 1.00 0.00 H ATOM 804 HG12 ILE A1010 -6.706 -1.159 5.119 1.00 0.00 H ATOM 805 HG13 ILE A1010 -6.259 -2.709 4.369 1.00 0.00 H ATOM 806 HD11 ILE A1010 -8.396 -2.771 3.223 1.00 0.00 H ATOM 807 HD12 ILE A1010 -8.844 -1.220 3.974 1.00 0.00 H ATOM 808 HD13 ILE A1010 -7.480 -1.296 2.831 1.00 0.00 H ATOM 809 HG21 ILE A1010 -8.642 -4.737 6.334 1.00 0.00 H ATOM 810 HG22 ILE A1010 -9.036 -4.086 4.725 1.00 0.00 H ATOM 811 HG23 ILE A1010 -7.422 -4.771 5.037 1.00 0.00 H ATOM 812 H ILE A1010 -7.602 -0.582 7.455 1.00 0.00 H ATOM 813 N GLU A1011 -10.305 -3.571 7.752 1.00 15.12 N ATOM 814 CA GLU A1011 -10.687 -4.342 8.906 1.00 17.70 C ATOM 815 C GLU A1011 -10.719 -5.838 8.592 1.00 16.83 C ATOM 816 O GLU A1011 -11.190 -6.251 7.545 1.00 14.52 O ATOM 817 CB GLU A1011 -12.022 -3.833 9.440 1.00 20.80 C ATOM 818 CG GLU A1011 -13.197 -3.955 8.486 1.00 24.20 C ATOM 819 CD GLU A1011 -14.506 -3.459 9.093 1.00 29.66 C ATOM 820 OE1 GLU A1011 -15.552 -3.502 8.395 1.00 30.33 O ATOM 821 OE2 GLU A1011 -14.482 -3.020 10.267 1.00 32.84 O ATOM 822 HA GLU A1011 -9.937 -4.212 9.687 1.00 0.00 H ATOM 823 HB2 GLU A1011 -12.261 -4.398 10.341 1.00 0.00 H ATOM 824 HB3 GLU A1011 -11.903 -2.780 9.694 1.00 0.00 H ATOM 825 HG2 GLU A1011 -12.983 -3.368 7.593 1.00 0.00 H ATOM 826 HG3 GLU A1011 -13.315 -5.003 8.211 1.00 0.00 H ATOM 827 H GLU A1011 -10.838 -3.678 6.865 1.00 0.00 H ATOM 828 N PHE A1012 -10.207 -6.650 9.520 1.00 19.63 N ATOM 829 CA PHE A1012 -10.137 -8.100 9.340 1.00 23.15 C ATOM 830 C PHE A1012 -11.513 -8.732 9.222 1.00 26.35 C ATOM 831 O PHE A1012 -12.402 -8.365 9.971 1.00 25.48 O ATOM 832 CB PHE A1012 -9.356 -8.718 10.515 1.00 26.20 C ATOM 833 CG PHE A1012 -9.319 -10.218 10.507 1.00 29.94 C ATOM 834 CD1 PHE A1012 -8.863 -10.912 9.395 1.00 32.71 C ATOM 835 CD2 PHE A1012 -9.717 -10.936 11.621 1.00 33.90 C ATOM 836 CE1 PHE A1012 -8.822 -12.286 9.384 1.00 36.24 C ATOM 837 CE2 PHE A1012 -9.674 -12.317 11.624 1.00 36.35 C ATOM 838 CZ PHE A1012 -9.223 -12.996 10.503 1.00 37.08 C ATOM 839 HA PHE A1012 -9.619 -8.302 8.403 1.00 0.00 H ATOM 840 HB2 PHE A1012 -8.331 -8.350 10.476 1.00 0.00 H ATOM 841 HB3 PHE A1012 -9.822 -8.392 11.445 1.00 0.00 H ATOM 842 HD2 PHE A1012 -10.068 -10.406 12.506 1.00 0.00 H ATOM 843 HE2 PHE A1012 -9.994 -12.871 12.506 1.00 0.00 H ATOM 844 HZ PHE A1012 -9.184 -14.085 10.502 1.00 0.00 H ATOM 845 HE1 PHE A1012 -8.475 -12.815 8.497 1.00 0.00 H ATOM 846 HD1 PHE A1012 -8.532 -10.359 8.516 1.00 0.00 H ATOM 847 H PHE A1012 -9.845 -6.237 10.403 1.00 0.00 H ATOM 848 N VAL A1013 -11.653 -9.634 8.235 1.00 29.87 N ATOM 849 CA VAL A1013 -12.782 -10.551 8.061 1.00 36.54 C ATOM 850 C VAL A1013 -13.980 -9.929 7.333 1.00 39.41 C ATOM 851 O VAL A1013 -13.882 -8.830 6.760 1.00 41.51 O ATOM 852 CB VAL A1013 -13.143 -11.294 9.399 1.00 40.36 C ATOM 853 CG1 VAL A1013 -14.625 -11.218 9.726 1.00 41.72 C ATOM 854 CG2 VAL A1013 -12.667 -12.736 9.318 1.00 42.33 C ATOM 855 HA VAL A1013 -12.448 -11.328 7.373 1.00 0.00 H ATOM 856 HB VAL A1013 -12.629 -10.789 10.217 1.00 0.00 H ATOM 857 HG11 VAL A1013 -14.919 -10.174 9.832 1.00 0.00 H ATOM 858 HG12 VAL A1013 -15.197 -11.679 8.921 1.00 0.00 H ATOM 859 HG13 VAL A1013 -14.817 -11.747 10.659 1.00 0.00 H ATOM 860 HG21 VAL A1013 -13.157 -13.233 8.481 1.00 0.00 H ATOM 861 HG22 VAL A1013 -11.587 -12.753 9.171 1.00 0.00 H ATOM 862 HG23 VAL A1013 -12.917 -13.252 10.245 1.00 0.00 H ATOM 863 H VAL A1013 -10.890 -9.685 7.530 1.00 0.00 H TER 864 VAL A1013 HETATM 865 ZN ZN A 1 7.546 7.223 -5.717 1.00 15.55 ZN HETATM 866 O HOH 2 3.313 -13.121 3.556 1.00 15.93 O HETATM 867 O HOH 3 -6.304 -1.056 -7.146 1.00 15.52 O HETATM 868 O HOH 4 -16.139 -1.704 -2.869 1.00 17.84 O HETATM 869 O HOH 5 -8.313 -0.574 10.818 1.00 17.54 O HETATM 870 O HOH 6 -4.063 -7.914 11.009 1.00 23.67 O HETATM 871 O HOH 7 -6.215 -7.254 12.147 1.00 27.92 O HETATM 872 O HOH 8 -8.035 -5.350 11.073 1.00 27.38 O HETATM 873 O HOH 9 -5.840 -3.662 9.996 1.00 29.26 O HETATM 874 O HOH 10 -15.456 -1.435 -10.050 1.00 24.41 O HETATM 875 O HOH 11 -12.990 -2.042 12.269 1.00 32.55 O HETATM 876 O HOH 12 -17.128 -0.496 -5.266 1.00 33.41 O HETATM 877 O HOH 13 -0.320 -5.591 -8.954 1.00 30.39 O HETATM 878 O HOH 14 -10.171 7.551 -3.608 1.00 38.99 O HETATM 879 O HOH 15 -6.089 11.714 2.422 1.00 43.89 O HETATM 880 O HOH 16 -11.772 -5.762 -3.759 1.00 11.76 O HETATM 881 O HOH 17 -3.925 0.348 -7.594 1.00 16.40 O HETATM 882 O HOH 18 -10.096 1.702 -6.813 1.00 19.17 O HETATM 883 O HOH 19 3.879 9.992 -1.402 1.00 29.32 O HETATM 884 O HOH 20 -1.283 4.160 7.774 1.00 18.88 O HETATM 885 O HOH 21 -1.700 -8.574 -8.471 1.00 24.40 O HETATM 886 O HOH 22 -6.306 8.694 -0.605 1.00 30.22 O HETATM 887 O HOH 23 -11.580 1.265 -9.473 1.00 22.87 O HETATM 888 O HOH 24 -16.486 4.054 -2.781 1.00 47.79 O HETATM 889 O HOH 25 2.032 7.241 1.559 1.00 25.80 O HETATM 890 O HOH 26 -19.010 -7.758 2.991 1.00 15.42 O HETATM 891 O HOH 27 -7.747 1.141 -8.769 1.00 22.16 O HETATM 892 O HOH 28 -13.518 -16.255 3.164 1.00 24.65 O HETATM 893 O HOH 29 7.667 -6.231 9.628 1.00 36.18 O HETATM 894 O HOH 30 -9.983 4.554 -4.990 1.00 44.30 O HETATM 895 O HOH 31 -14.282 6.676 2.046 1.00 21.36 O HETATM 896 O HOH 32 11.098 5.488 -3.297 1.00 36.04 O HETATM 897 O HOH 33 0.325 -2.582 -7.713 1.00 32.08 O HETATM 898 O HOH 34 0.194 -5.616 12.884 1.00 44.11 O HETATM 899 O HOH 35 -0.080 2.732 -7.557 1.00 42.70 O HETATM 900 O HOH 36 -8.375 6.184 -6.516 1.00 40.85 O HETATM 901 O HOH 37 -7.026 -14.199 1.812 1.00 16.36 O HETATM 902 O HOH 38 -12.205 -10.607 -8.651 1.00 32.37 O HETATM 903 O HOH 39 -9.441 8.519 0.749 1.00 24.79 O HETATM 904 O HOH 40 -17.603 1.797 -2.284 1.00 32.97 O HETATM 905 O HOH 41 -13.152 8.757 -2.320 1.00 44.34 O HETATM 906 O HOH 42 -5.218 -16.518 2.556 1.00 32.51 O HETATM 907 O HOH 43 -0.597 -3.999 10.577 1.00 43.84 O HETATM 908 O HOH 44 -3.412 -5.323 9.944 1.00 42.86 O HETATM 909 O HOH 45 9.231 6.976 -4.297 1.00 32.78 O HETATM 910 O HOH 46 -19.956 -7.781 7.708 1.00 38.85 O HETATM 911 O HOH 47 6.163 6.591 0.001 1.00 36.22 O HETATM 912 O HOH 48 5.958 9.270 -0.319 1.00 36.09 O HETATM 913 O HOH 49 -16.058 3.492 7.877 1.00 48.89 O HETATM 914 O HOH 50 -11.103 -16.179 2.085 1.00 37.85 O HETATM 915 O HOH 51 -6.272 -11.819 3.913 1.00 22.52 O HETATM 916 O HOH 52 -3.307 -11.350 7.970 1.00 29.56 O HETATM 917 O HOH 53 0.902 -14.496 3.001 1.00 25.79 O HETATM 918 O HOH 54 -6.291 9.065 2.184 1.00 38.77 O HETATM 919 O HOH 55 -6.294 -13.874 9.422 1.00 41.43 O HETATM 920 O HOH 56 -4.329 -14.624 5.238 1.00 40.04 O HETATM 921 O HOH 57 -2.357 -14.373 4.486 1.00 44.41 O HETATM 922 O HOH 58 3.453 8.206 3.208 1.00 38.57 O HETATM 923 O HOH 59 0.024 -13.953 5.738 1.00 35.62 O HETATM 924 O HOH 60 -7.320 -15.169 5.273 1.00 33.91 O HETATM 925 O HOH 61 0.633 12.325 2.168 1.00 51.52 O HETATM 926 O HOH 62 6.003 0.900 14.073 1.00 53.51 O HETATM 927 O HOH 63 2.114 10.990 -4.945 1.00 48.09 O HETATM 928 O HOH 64 -8.830 -17.908 1.577 1.00 46.12 O HETATM 929 O HOH 65 -7.298 -10.301 -11.386 1.00 36.10 O HETATM 930 O HOH 66 -7.442 -20.273 1.932 1.00 40.20 O HETATM 931 O HOH 67 -4.265 -8.931 -11.862 1.00 47.97 O HETATM 932 O HOH 68 5.851 9.498 -8.982 1.00 59.44 O HETATM 933 O HOH 69 -7.666 -17.299 4.191 1.00 30.90 O HETATM 934 O HOH 70 5.610 2.602 9.757 1.00 44.43 O HETATM 935 O HOH 71 -4.672 -15.461 9.378 1.00 47.31 O HETATM 936 O HOH 72 -9.406 -17.420 3.491 1.00 45.20 O HETATM 937 O HOH 73 -8.546 -10.037 -8.862 1.00 29.77 O HETATM 938 O HOH 74 -15.752 -2.587 5.684 1.00 34.80 O HETATM 939 O HOH 75 -16.971 5.676 2.159 1.00 41.86 O HETATM 940 O HOH 76 -17.098 -1.623 4.111 1.00 42.00 O HETATM 941 O HOH 77 2.639 -4.256 13.928 1.00 44.23 O HETATM 942 O HOH 78 -18.443 2.514 4.892 1.00 13.31 O HETATM 943 O HOH 79 2.958 -3.203 -5.892 1.00 35.86 O HETATM 944 O HOH 80 -16.967 1.920 6.141 1.00 42.53 O HETATM 945 O HOH 81 8.463 2.955 -3.397 1.00 47.26 O HETATM 946 O HOH 82 -15.857 5.731 9.776 1.00 39.19 O HETATM 947 O HOH 83 1.637 -0.708 -6.474 1.00 34.20 O HETATM 948 O HOH 84 -1.278 -0.587 -7.891 1.00 41.61 O HETATM 949 O HOH 85 -7.501 -13.614 6.870 1.00 43.44 O HETATM 950 O HOH 86 -19.112 4.033 5.947 1.00 43.60 O HETATM 951 O HOH 87 0.276 8.172 -6.905 1.00 44.88 O HETATM 952 O HOH 88 9.044 4.407 -6.080 1.00 49.90 O HETATM 953 O HOH 89 -4.259 7.679 11.574 1.00 25.75 O HETATM 954 O HOH 90 1.999 8.131 5.206 1.00 25.16 O HETATM 955 O HOH 91 -3.263 10.040 2.499 1.00 49.48 O HETATM 956 O HOH 92 3.368 10.362 6.768 1.00 34.48 O HETATM 957 O HOH 93 -0.780 8.165 2.343 1.00 23.11 O HETATM 958 O HOH 94 6.238 7.682 4.562 1.00 26.77 O HETATM 959 O HOH 95 -14.012 9.748 6.731 1.00 32.98 O HETATM 960 O HOH 96 2.222 10.365 8.896 1.00 39.89 O HETATM 961 O HOH 97 6.125 10.053 5.865 1.00 31.49 O HETATM 962 O HOH 98 11.468 -3.219 0.041 1.00 38.00 O HETATM 963 O HOH 99 7.862 10.541 7.559 1.00 32.95 O HETATM 964 O HOH 100 -2.198 11.025 5.667 1.00 40.34 O HETATM 965 O HOH 101 9.188 8.378 6.719 1.00 45.94 O HETATM 966 O HOH 102 0.345 11.191 3.812 1.00 46.42 O HETATM 967 O HOH 103 12.172 2.308 6.240 1.00 51.31 O HETATM 968 O HOH 104 12.197 -2.103 10.125 1.00 45.10 O HETATM 969 O HOH 105 8.110 3.800 9.360 1.00 40.30 O HETATM 970 N PRO A 106 -11.344 10.211 5.519 1.00 0.25 N HETATM 971 CA PRO A 106 -10.621 9.061 6.085 1.00 0.07 C HETATM 972 C PRO A 106 -9.410 9.540 6.912 1.00 0.23 C HETATM 973 O PRO A 106 -9.044 10.725 6.864 1.00 -0.39 O HETATM 974 N PRO A 106 -8.828 8.645 7.716 1.00 -0.25 N HETATM 975 CA PRO A 106 -7.814 9.094 8.678 1.00 0.13 C HETATM 976 C PRO A 106 -6.439 9.299 8.025 1.00 0.21 C HETATM 977 O PRO A 106 -6.166 8.806 6.936 1.00 -0.39 O HETATM 978 N PRO A 106 -5.527 10.005 8.713 1.00 -0.25 N HETATM 979 CA PRO A 106 -4.170 10.144 8.177 1.00 0.13 C HETATM 980 C PRO A 106 -3.469 8.797 8.141 1.00 0.20 C HETATM 981 O PRO A 106 -3.765 7.904 8.923 1.00 -0.39 O HETATM 982 N PRO A 106 -2.536 8.640 7.220 1.00 -0.26 N HETATM 983 CA PRO A 106 -1.723 7.435 7.174 1.00 0.16 C HETATM 984 C PRO A 106 -0.440 7.674 7.967 1.00 0.21 C HETATM 985 O PRO A 106 -0.035 8.822 8.212 1.00 -0.39 O HETATM 986 N PRO A 106 0.159 6.577 8.410 1.00 -0.26 N HETATM 987 CA PRO A 106 1.404 6.607 9.163 1.00 0.13 C HETATM 988 C PRO A 106 2.592 6.516 8.214 1.00 0.21 C HETATM 989 O PRO A 106 2.447 6.110 7.062 1.00 -0.39 O HETATM 990 N PRO A 106 3.783 6.900 8.692 1.00 -0.25 N HETATM 991 CA PRO A 106 4.957 6.778 7.826 1.00 0.13 C HETATM 992 C PRO A 106 5.075 5.369 7.266 1.00 0.20 C HETATM 993 O PRO A 106 4.780 4.388 7.952 1.00 -0.39 O HETATM 994 N PRO A 106 5.482 5.280 6.009 1.00 -0.26 N HETATM 995 CA PRO A 106 5.550 3.998 5.329 1.00 0.13 C HETATM 996 C PRO A 106 6.973 3.464 5.335 1.00 0.21 C HETATM 997 O PRO A 106 7.918 4.176 4.982 1.00 -0.39 O HETATM 998 N PRO A 106 7.138 2.199 5.741 1.00 -0.25 N HETATM 999 CA PRO A 106 8.482 1.655 5.934 1.00 0.13 C HETATM 1000 C PRO A 106 9.143 1.224 4.627 1.00 0.20 C HETATM 1001 O PRO A 106 8.461 0.785 3.695 1.00 -0.39 O HETATM 1002 N PRO A 106 10.462 1.353 4.561 1.00 -0.26 N HETATM 1003 CA PRO A 106 11.228 0.755 3.474 1.00 0.13 C HETATM 1004 C PRO A 106 11.624 -0.625 3.982 1.00 0.20 C HETATM 1005 O PRO A 106 12.341 -0.738 4.975 1.00 -0.39 O HETATM 1006 N PRO A 106 11.140 -1.673 3.324 1.00 -0.26 N HETATM 1007 CA PRO A 106 11.288 -3.026 3.861 1.00 0.13 C HETATM 1008 C PRO A 106 12.556 -3.737 3.390 1.00 0.21 C HETATM 1009 O PRO A 106 12.937 -3.633 2.225 1.00 -0.39 O HETATM 1010 N PRO A 106 13.212 -4.475 4.302 1.00 -0.26 N HETATM 1011 CA PRO A 106 12.814 -4.643 5.704 1.00 0.10 C HETATM 1012 C PRO A 106 13.425 -3.575 6.610 1.00 0.06 C HETATM 1013 O PRO A 106 13.107 -3.562 7.829 1.00 -0.57 O HETATM 1014 O PRO A 106 14.231 -2.724 6.147 1.00 -0.57 O HETATM 1015 CB PRO A 106 13.382 -6.024 6.066 1.00 -0.02 C HETATM 1016 CG PRO A 106 14.228 -6.461 4.875 1.00 -0.03 C HETATM 1017 CD PRO A 106 14.396 -5.286 3.981 1.00 0.04 C HETATM 1018 H84 PRO A 106 15.325 -4.742 4.208 1.00 0.05 H HETATM 1019 H85 PRO A 106 14.397 -5.588 2.923 1.00 0.05 H HETATM 1020 H82 PRO A 106 13.721 -7.273 4.334 1.00 0.03 H HETATM 1021 H83 PRO A 106 15.211 -6.810 5.223 1.00 0.03 H HETATM 1022 H80 PRO A 106 12.565 -6.740 6.236 1.00 0.03 H HETATM 1023 H81 PRO A 106 14.004 -5.955 6.971 1.00 0.03 H HETATM 1024 H79 PRO A 106 11.719 -4.624 5.803 1.00 0.07 H HETATM 1025 CB PRO A 106 10.052 -3.867 3.528 1.00 -0.02 C HETATM 1026 H76 PRO A 106 10.177 -4.880 3.937 1.00 0.03 H HETATM 1027 H77 PRO A 106 9.931 -3.925 2.436 1.00 0.03 H HETATM 1028 H78 PRO A 106 9.160 -3.400 3.971 1.00 0.03 H HETATM 1029 H75 PRO A 106 11.352 -2.937 4.956 1.00 0.08 H HETATM 1030 H74 PRO A 106 10.669 -1.536 2.452 1.00 0.19 H HETATM 1031 CB PRO A 106 12.471 1.578 3.144 1.00 -0.02 C HETATM 1032 H71 PRO A 106 13.021 1.097 2.322 1.00 0.03 H HETATM 1033 H72 PRO A 106 13.117 1.638 4.032 1.00 0.03 H HETATM 1034 H73 PRO A 106 12.170 2.591 2.840 1.00 0.03 H HETATM 1035 H70 PRO A 106 10.604 0.668 2.573 1.00 0.08 H HETATM 1036 H69 PRO A 106 10.940 1.871 5.271 1.00 0.19 H HETATM 1037 CB PRO A 106 8.223 0.439 6.820 1.00 -0.01 C HETATM 1038 CG PRO A 106 6.886 -0.050 6.368 1.00 -0.03 C HETATM 1039 CD PRO A 106 6.094 1.194 6.003 1.00 0.04 C HETATM 1040 H67 PRO A 106 5.481 1.021 5.107 1.00 0.05 H HETATM 1041 H68 PRO A 106 5.447 1.507 6.836 1.00 0.05 H HETATM 1042 H65 PRO A 106 6.385 -0.600 7.178 1.00 0.03 H HETATM 1043 H66 PRO A 106 6.994 -0.706 5.492 1.00 0.03 H HETATM 1044 H63 PRO A 106 8.197 0.726 7.882 1.00 0.03 H HETATM 1045 H64 PRO A 106 8.994 -0.330 6.666 1.00 0.03 H HETATM 1046 H62 PRO A 106 9.128 2.387 6.441 1.00 0.08 H HETATM 1047 CB PRO A 106 5.017 4.123 3.901 1.00 -0.01 C HETATM 1048 CG PRO A 106 5.009 2.821 3.125 1.00 -0.04 C HETATM 1049 CD PRO A 106 4.364 2.993 1.766 1.00 -0.01 C HETATM 1050 CE PRO A 106 5.078 4.050 0.950 1.00 -0.04 C HETATM 1051 NZ PRO A 106 4.496 4.139 -0.409 1.00 0.22 N HETATM 1052 H59 PRO A 106 4.983 4.846 -0.937 1.00 0.20 H HETATM 1053 H60 PRO A 106 3.520 4.382 -0.341 1.00 0.20 H HETATM 1054 H61 PRO A 106 4.589 3.249 -0.873 1.00 0.20 H HETATM 1055 H57 PRO A 106 6.143 3.788 0.871 1.00 0.08 H HETATM 1056 H58 PRO A 106 4.977 5.024 1.451 1.00 0.08 H HETATM 1057 H55 PRO A 106 3.315 3.293 1.902 1.00 0.03 H HETATM 1058 H56 PRO A 106 4.404 2.035 1.226 1.00 0.03 H HETATM 1059 H53 PRO A 106 4.446 2.067 3.696 1.00 0.03 H HETATM 1060 H54 PRO A 106 6.045 2.479 2.989 1.00 0.03 H HETATM 1061 H51 PRO A 106 5.647 4.844 3.359 1.00 0.03 H HETATM 1062 H52 PRO A 106 3.986 4.502 3.950 1.00 0.03 H HETATM 1063 H50 PRO A 106 4.913 3.284 5.872 1.00 0.08 H HETATM 1064 H49 PRO A 106 5.747 6.110 5.519 1.00 0.19 H HETATM 1065 CB PRO A 106 6.118 7.113 8.764 1.00 -0.01 C HETATM 1066 CG PRO A 106 5.512 8.038 9.761 1.00 -0.03 C HETATM 1067 CD PRO A 106 4.121 7.508 9.989 1.00 0.04 C HETATM 1068 H47 PRO A 106 4.111 6.757 10.793 1.00 0.05 H HETATM 1069 H48 PRO A 106 3.424 8.321 10.238 1.00 0.05 H HETATM 1070 H45 PRO A 106 5.475 9.063 9.364 1.00 0.03 H HETATM 1071 H46 PRO A 106 6.088 8.028 10.698 1.00 0.03 H HETATM 1072 H43 PRO A 106 6.934 7.607 8.217 1.00 0.03 H HETATM 1073 H44 PRO A 106 6.501 6.205 9.253 1.00 0.03 H HETATM 1074 H42 PRO A 106 4.908 7.496 6.994 1.00 0.08 H HETATM 1075 CB PRO A 106 1.431 5.454 10.163 1.00 -0.01 C HETATM 1076 CG PRO A 106 0.309 5.429 11.197 1.00 -0.04 C HETATM 1077 CD1 PRO A 106 0.559 4.346 12.239 1.00 -0.06 C HETATM 1078 H36 PRO A 106 -0.261 4.347 12.972 1.00 0.02 H HETATM 1079 H37 PRO A 106 1.511 4.545 12.753 1.00 0.02 H HETATM 1080 H38 PRO A 106 0.607 3.365 11.744 1.00 0.02 H HETATM 1081 CD2 PRO A 106 0.184 6.781 11.847 1.00 -0.06 C HETATM 1082 H39 PRO A 106 0.004 7.544 11.075 1.00 0.02 H HETATM 1083 H40 PRO A 106 1.114 7.016 12.386 1.00 0.02 H HETATM 1084 H41 PRO A 106 -0.657 6.771 12.555 1.00 0.02 H HETATM 1085 H35 PRO A 106 -0.636 5.201 10.682 1.00 0.03 H HETATM 1086 H33 PRO A 106 2.386 5.504 10.706 1.00 0.03 H HETATM 1087 H34 PRO A 106 1.382 4.515 9.593 1.00 0.03 H HETATM 1088 H32 PRO A 106 1.464 7.557 9.715 1.00 0.08 H HETATM 1089 H31 PRO A 106 -0.263 5.691 8.218 1.00 0.19 H HETATM 1090 CB PRO A 106 -1.401 7.019 5.726 1.00 0.09 C HETATM 1091 OG1 PRO A 106 -0.721 8.101 5.090 1.00 -0.39 O HETATM 1092 H27 PRO A 106 -0.514 7.861 4.194 1.00 0.21 H HETATM 1093 CG2 PRO A 106 -2.669 6.685 4.964 1.00 -0.03 C HETATM 1094 H28 PRO A 106 -2.412 6.392 3.935 1.00 0.03 H HETATM 1095 H29 PRO A 106 -3.326 7.567 4.941 1.00 0.03 H HETATM 1096 H30 PRO A 106 -3.189 5.854 5.463 1.00 0.03 H HETATM 1097 H26 PRO A 106 -0.749 6.133 5.739 1.00 0.06 H HETATM 1098 H25 PRO A 106 -2.284 6.617 7.649 1.00 0.08 H HETATM 1099 H24 PRO A 106 -2.386 9.361 6.543 1.00 0.19 H HETATM 1100 CB PRO A 106 -3.481 11.083 9.162 1.00 -0.01 C HETATM 1101 CG PRO A 106 -4.335 11.117 10.343 1.00 -0.03 C HETATM 1102 CD PRO A 106 -5.701 10.686 9.999 1.00 0.04 C HETATM 1103 H22 PRO A 106 -6.100 9.998 10.758 1.00 0.05 H HETATM 1104 H23 PRO A 106 -6.373 11.551 9.899 1.00 0.05 H HETATM 1105 H20 PRO A 106 -4.367 12.143 10.738 1.00 0.03 H HETATM 1106 H21 PRO A 106 -3.924 10.442 11.108 1.00 0.03 H HETATM 1107 H18 PRO A 106 -3.386 12.090 8.729 1.00 0.03 H HETATM 1108 H19 PRO A 106 -2.483 10.700 9.422 1.00 0.03 H HETATM 1109 H17 PRO A 106 -4.188 10.578 7.167 1.00 0.08 H HETATM 1110 CB PRO A 106 -7.756 7.935 9.684 1.00 -0.01 C HETATM 1111 CG PRO A 106 -8.179 6.748 8.911 1.00 -0.03 C HETATM 1112 CD PRO A 106 -9.206 7.238 7.932 1.00 0.04 C HETATM 1113 H15 PRO A 106 -9.157 6.668 6.992 1.00 0.05 H HETATM 1114 H16 PRO A 106 -10.219 7.163 8.354 1.00 0.05 H HETATM 1115 H13 PRO A 106 -8.618 5.993 9.579 1.00 0.03 H HETATM 1116 H14 PRO A 106 -7.321 6.312 8.379 1.00 0.03 H HETATM 1117 H11 PRO A 106 -8.442 8.116 10.524 1.00 0.03 H HETATM 1118 H12 PRO A 106 -6.733 7.804 10.067 1.00 0.03 H HETATM 1119 H10 PRO A 106 -8.128 10.028 9.166 1.00 0.08 H HETATM 1120 CB PRO A 106 -10.237 8.265 4.835 1.00 0.01 C HETATM 1121 CG PRO A 106 -11.334 8.559 3.876 1.00 -0.01 C HETATM 1122 CD PRO A 106 -11.702 9.980 4.103 1.00 -0.03 C HETATM 1123 H8 PRO A 106 -11.129 10.645 3.440 1.00 0.08 H HETATM 1124 H9 PRO A 106 -12.778 10.138 3.939 1.00 0.08 H HETATM 1125 H6 PRO A 106 -12.197 7.905 4.069 1.00 0.03 H HETATM 1126 H7 PRO A 106 -10.988 8.414 2.842 1.00 0.03 H HETATM 1127 H4 PRO A 106 -10.188 7.189 5.056 1.00 0.03 H HETATM 1128 H5 PRO A 106 -9.268 8.603 4.438 1.00 0.03 H HETATM 1129 H3 PRO A 106 -11.278 8.462 6.733 1.00 0.11 H HETATM 1130 H1 PRO A 106 -10.758 11.029 5.580 1.00 0.20 H HETATM 1131 H2 PRO A 106 -12.187 10.362 6.050 1.00 0.20 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 187 186 865 CONECT 200 199 865 CONECT 865 187 200 CONECT 970 971 1122 1130 1131 CONECT 971 970 972 1120 1129 CONECT 972 971 973 974 CONECT 973 972 CONECT 974 972 975 1112 CONECT 975 974 976 1110 1119 CONECT 976 975 977 978 CONECT 977 976 CONECT 978 976 979 1102 CONECT 979 978 980 1100 1109 CONECT 980 979 981 982 CONECT 981 980 CONECT 982 980 983 1099 CONECT 983 982 984 1090 1098 CONECT 984 983 985 986 CONECT 985 984 CONECT 986 984 987 1089 CONECT 987 986 988 1075 1088 CONECT 988 987 989 990 CONECT 989 988 CONECT 990 988 991 1067 CONECT 991 990 992 1065 1074 CONECT 992 991 993 994 CONECT 993 992 CONECT 994 992 995 1064 CONECT 995 994 996 1047 1063 CONECT 996 995 997 998 CONECT 997 996 CONECT 998 996 999 1039 CONECT 999 998 1000 1037 1046 CONECT 1000 999 1001 1002 CONECT 1001 1000 CONECT 1002 1000 1003 1036 CONECT 1003 1002 1004 1031 1035 CONECT 1004 1003 1005 1006 CONECT 1005 1004 CONECT 1006 1004 1007 1030 CONECT 1007 1006 1008 1025 1029 CONECT 1008 1007 1009 1010 CONECT 1009 1008 CONECT 1010 1008 1011 1017 CONECT 1011 1010 1012 1015 1024 CONECT 1012 1011 1013 1014 CONECT 1013 1012 CONECT 1014 1012 CONECT 1015 1011 1016 1022 1023 CONECT 1016 1015 1017 1020 1021 CONECT 1017 1010 1016 1018 1019 CONECT 1018 1017 CONECT 1019 1017 CONECT 1020 1016 CONECT 1021 1016 CONECT 1022 1015 CONECT 1023 1015 CONECT 1024 1011 CONECT 1025 1007 1026 1027 1028 CONECT 1026 1025 CONECT 1027 1025 CONECT 1028 1025 CONECT 1029 1007 CONECT 1030 1006 CONECT 1031 1003 1032 1033 1034 CONECT 1032 1031 CONECT 1033 1031 CONECT 1034 1031 CONECT 1035 1003 CONECT 1036 1002 CONECT 1037 999 1038 1044 1045 CONECT 1038 1037 1039 1042 1043 CONECT 1039 998 1038 1040 1041 CONECT 1040 1039 CONECT 1041 1039 CONECT 1042 1038 CONECT 1043 1038 CONECT 1044 1037 CONECT 1045 1037 CONECT 1046 999 CONECT 1047 995 1048 1061 1062 CONECT 1048 1047 1049 1059 1060 CONECT 1049 1048 1050 1057 1058 CONECT 1050 1049 1051 1055 1056 CONECT 1051 1050 1052 1053 1054 CONECT 1052 1051 CONECT 1053 1051 CONECT 1054 1051 CONECT 1055 1050 CONECT 1056 1050 CONECT 1057 1049 CONECT 1058 1049 CONECT 1059 1048 CONECT 1060 1048 CONECT 1061 1047 CONECT 1062 1047 CONECT 1063 995 CONECT 1064 994 CONECT 1065 991 1066 1072 1073 CONECT 1066 1065 1067 1070 1071 CONECT 1067 990 1066 1068 1069 CONECT 1068 1067 CONECT 1069 1067 CONECT 1070 1066 CONECT 1071 1066 CONECT 1072 1065 CONECT 1073 1065 CONECT 1074 991 CONECT 1075 987 1076 1086 1087 CONECT 1076 1075 1077 1081 1085 CONECT 1077 1076 1078 1079 1080 CONECT 1078 1077 CONECT 1079 1077 CONECT 1080 1077 CONECT 1081 1076 1082 1083 1084 CONECT 1082 1081 CONECT 1083 1081 CONECT 1084 1081 CONECT 1085 1076 CONECT 1086 1075 CONECT 1087 1075 CONECT 1088 987 CONECT 1089 986 CONECT 1090 983 1091 1093 1097 CONECT 1091 1090 1092 CONECT 1092 1091 CONECT 1093 1090 1094 1095 1096 CONECT 1094 1093 CONECT 1095 1093 CONECT 1096 1093 CONECT 1097 1090 CONECT 1098 983 CONECT 1099 982 CONECT 1100 979 1101 1107 1108 CONECT 1101 1100 1102 1105 1106 CONECT 1102 978 1101 1103 1104 CONECT 1103 1102 CONECT 1104 1102 CONECT 1105 1101 CONECT 1106 1101 CONECT 1107 1100 CONECT 1108 1100 CONECT 1109 979 CONECT 1110 975 1111 1117 1118 CONECT 1111 1110 1112 1115 1116 CONECT 1112 974 1111 1113 1114 CONECT 1113 1112 CONECT 1114 1112 CONECT 1115 1111 CONECT 1116 1111 CONECT 1117 1110 CONECT 1118 1110 CONECT 1119 975 CONECT 1120 971 1121 1127 1128 CONECT 1121 1120 1122 1125 1126 CONECT 1122 970 1121 1123 1124 CONECT 1123 1122 CONECT 1124 1122 CONECT 1125 1121 CONECT 1126 1121 CONECT 1127 1120 CONECT 1128 1120 CONECT 1129 971 CONECT 1130 970 CONECT 1131 970 MASTER 0 0 0 0 0 0 0 0 1130 1 169 5 END
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13-mer
1r5w
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6bix
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6biy
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13-mer
6bnh
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13-mer
6nkp
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6n9t
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PDBbind
13-mer
6n87
RCSB PDB
PDBbind
13-mer
6n7q
RCSB PDB
PDBbind
13-mer
6hy7
RCSB PDB
PDBbind
13-mer
6bcy
RCSB PDB
PDBbind
13-mer
5yy9
RCSB PDB
PDBbind
13-mer
5mtw
RCSB PDB
PDBbind
13-mer
Entry Information
PDB ID
4f14
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Nebulette
Ligand Name
13-mer
EC.Number
E.C.-.-.-.-
Resolution
1.2(Å)
Affinity (Kd/Ki/IC50)
Kd=12.93uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Mol Biol Cell Vol. 24: pp. 3215-3226
Ligand Properties
Formula
C
5
2
H
8
6
N
1
2
O
1
3
Molecular Weight
1087.310
Exact Mass
1086.640
No. of atoms
163
No. of bonds
168
Polar Surface Area
348.83
LOGP Value
-2.03 (
Computed with XLOGP3
)
-0.73 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 33
No. of Nitrogen and Oxygen Atoms: 25
No. of Rings: 6
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)CC(C)C
InChI String
InChI=1S/C52H84N12O13/c1-29(2)28-35(58-46(70)41(32(5)65)59-45(69)38-18-11-25-62(38)51(75)39-19-12-26-63(39)48(72)33-15-8-22-54-33)50(74)61-24-10-17-37(61)44(68)57-34(14-6-7-21-53)49(73)60-23-9-16-36(60)43(67)55-30(3)42(66)56-31(4)47(71)64-27-13-20-40(64)52(76)77/h29-41,54,65H,6-28,53H2,1-5H3,(H,55,67)(H,56,66)(H,57,68)(H,58,70)(H,59,69)(H,76,77)/p+2/t30-,31-,32+,33-,34-,35-,36-,37-,38-,39-,40-,41-/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):
A4UGR9
O76041
Entrez Gene ID
NCBI Entrez Gene ID:
129446
10529
ASD
Information of known allosteric effects of PDB entries
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