Browse entries in the PDBbind-CN Database
HEADER 4PZ5_COMPLEX COMPND 4PZ5_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 89 GLU GLU THR CYS PHE ASP LYS TYR THR GLY ASN THR TYR SEQRES 2 A 89 ARG VAL GLY ASP THR TYR GLU ARG PRO LYS ASP SER MET SEQRES 3 A 89 ILE TRP ASP CYS THR CYS ILE GLY ALA GLY ARG GLY ARG SEQRES 4 A 89 ILE SER CYS THR ILE ALA ASN ARG CYS HIS GLU GLY GLY SEQRES 5 A 89 GLN SER TYR LYS ILE GLY ASP THR TRP ARG ARG PRO HIS SEQRES 6 A 89 GLU THR GLY GLY TYR MET LEU GLU CYS VAL CYS LEU GLY SEQRES 7 A 89 ASN GLY LYS GLY GLU TRP THR CYS LYS PRO ILE HET ACE A 219 219 SSBOND 1 CYS A 66 CYS A 94 SSBOND 2 CYS A 92 CYS A 104 SSBOND 3 CYS A 110 CYS A 138 SSBOND 4 CYS A 136 CYS A 148 ATOM 1 N GLU A 63 -22.530 1.399 40.017 1.00 53.04 N ATOM 2 CA GLU A 63 -23.322 0.865 41.119 1.00 54.63 C ATOM 3 C GLU A 63 -24.359 1.868 41.610 1.00 43.95 C ATOM 4 O GLU A 63 -24.186 3.086 41.508 1.00 42.43 O ATOM 5 CB GLU A 63 -22.432 0.444 42.292 1.00 56.98 C ATOM 6 CG GLU A 63 -22.036 1.591 43.204 1.00 58.51 C ATOM 7 CD GLU A 63 -21.479 1.119 44.532 1.00 65.06 C ATOM 8 OE1 GLU A 63 -22.181 0.375 45.255 1.00 64.37 O ATOM 9 OE2 GLU A 63 -20.331 1.492 44.850 1.00 68.86 O ATOM 10 HN3 GLU A 63 -22.032 2.256 40.333 1.00 0.00 H ATOM 11 HN2 GLU A 63 -23.158 1.635 39.223 1.00 0.00 H ATOM 12 HN1 GLU A 63 -21.837 0.686 39.713 1.00 0.00 H ATOM 13 N GLU A 64 -25.432 1.328 42.164 1.00 36.84 N ATOM 14 CA GLU A 64 -26.594 2.103 42.547 1.00 31.90 C ATOM 15 C GLU A 64 -26.383 2.967 43.795 1.00 31.23 C ATOM 16 O GLU A 64 -25.765 2.530 44.765 1.00 35.04 O ATOM 17 CB GLU A 64 -27.757 1.153 42.760 1.00 35.65 C ATOM 18 CG GLU A 64 -29.052 1.855 42.943 1.00 42.09 C ATOM 19 CD GLU A 64 -30.233 0.950 42.727 1.00 41.89 C ATOM 20 OE1 GLU A 64 -31.367 1.454 42.800 1.00 36.36 O ATOM 21 OE2 GLU A 64 -30.020 -0.258 42.486 1.00 45.77 O ATOM 22 H GLU A 64 -25.442 0.302 42.332 1.00 0.00 H ATOM 23 N THR A 65 -26.909 4.191 43.771 1.00 27.15 N ATOM 24 CA THR A 65 -26.745 5.118 44.897 1.00 25.05 C ATOM 25 C THR A 65 -28.028 5.857 45.281 1.00 26.77 C ATOM 26 O THR A 65 -28.992 5.900 44.508 1.00 26.85 O ATOM 27 CB THR A 65 -25.685 6.183 44.587 1.00 27.79 C ATOM 28 OG1 THR A 65 -26.103 6.938 43.447 1.00 30.61 O ATOM 29 CG2 THR A 65 -24.343 5.543 44.293 1.00 24.44 C ATOM 30 HG1 THR A 65 -26.969 7.375 43.642 1.00 0.00 H ATOM 31 H THR A 65 -27.448 4.496 42.936 1.00 0.00 H ATOM 32 N CYS A 66 -28.031 6.438 46.481 1.00 19.37 N ATOM 33 CA CYS A 66 -29.061 7.389 46.883 1.00 18.18 C ATOM 34 C CYS A 66 -28.404 8.736 47.138 1.00 20.13 C ATOM 35 O CYS A 66 -27.242 8.795 47.530 1.00 23.12 O ATOM 36 CB CYS A 66 -29.801 6.922 48.148 1.00 17.19 C ATOM 37 SG CYS A 66 -30.468 5.249 48.033 1.00 22.37 S ATOM 38 H CYS A 66 -27.273 6.205 47.154 1.00 0.00 H ATOM 39 N PHE A 67 -29.142 9.814 46.914 1.00 20.53 N ATOM 40 CA PHE A 67 -28.684 11.140 47.303 1.00 21.62 C ATOM 41 C PHE A 67 -29.662 11.715 48.310 1.00 25.56 C ATOM 42 O PHE A 67 -30.872 11.707 48.070 1.00 21.23 O ATOM 43 CB PHE A 67 -28.568 12.067 46.096 1.00 21.88 C ATOM 44 CG PHE A 67 -28.282 13.501 46.464 1.00 26.58 C ATOM 45 CD1 PHE A 67 -27.006 13.893 46.846 1.00 26.59 C ATOM 46 CD2 PHE A 67 -29.285 14.458 46.421 1.00 25.52 C ATOM 47 CE1 PHE A 67 -26.737 15.214 47.183 1.00 29.38 C ATOM 48 CE2 PHE A 67 -29.022 15.782 46.763 1.00 27.67 C ATOM 49 CZ PHE A 67 -27.748 16.156 47.145 1.00 25.04 C ATOM 50 H PHE A 67 -30.067 9.710 46.451 1.00 0.00 H ATOM 51 N ASP A 68 -29.151 12.208 49.437 1.00 19.58 N ATOM 52 CA ASP A 68 -30.016 12.812 50.445 1.00 16.69 C ATOM 53 C ASP A 68 -29.809 14.323 50.472 1.00 20.55 C ATOM 54 O ASP A 68 -28.741 14.807 50.853 1.00 23.60 O ATOM 55 CB ASP A 68 -29.752 12.198 51.829 1.00 18.13 C ATOM 56 CG ASP A 68 -30.785 12.622 52.850 1.00 24.36 C ATOM 57 OD1 ASP A 68 -30.789 13.814 53.213 1.00 28.83 O ATOM 58 OD2 ASP A 68 -31.587 11.774 53.297 1.00 24.02 O ATOM 59 H ASP A 68 -28.125 12.162 49.600 1.00 0.00 H ATOM 60 N LYS A 69 -30.829 15.076 50.067 1.00 18.81 N ATOM 61 CA LYS A 69 -30.687 16.517 49.952 1.00 20.70 C ATOM 62 C LYS A 69 -30.558 17.205 51.321 1.00 20.36 C ATOM 63 O LYS A 69 -30.074 18.333 51.403 1.00 21.59 O ATOM 64 CB LYS A 69 -31.864 17.108 49.186 1.00 28.06 C ATOM 65 CG LYS A 69 -33.208 16.908 49.873 1.00 25.81 C ATOM 66 CD LYS A 69 -34.324 17.433 48.982 1.00 30.04 C ATOM 67 CE LYS A 69 -35.637 17.500 49.731 1.00 36.27 C ATOM 68 NZ LYS A 69 -36.727 18.008 48.860 1.00 37.15 N ATOM 69 HZ1 LYS A 69 -36.486 18.963 48.526 1.00 0.00 H ATOM 70 HZ2 LYS A 69 -36.842 17.373 48.044 1.00 0.00 H ATOM 71 HZ3 LYS A 69 -37.614 18.043 49.402 1.00 0.00 H ATOM 72 H LYS A 69 -31.737 14.628 49.830 1.00 0.00 H ATOM 73 N TYR A 70 -30.998 16.533 52.382 1.00 17.96 N ATOM 74 CA TYR A 70 -30.872 17.097 53.731 1.00 18.78 C ATOM 75 C TYR A 70 -29.460 16.955 54.275 1.00 21.66 C ATOM 76 O TYR A 70 -28.969 17.838 54.964 1.00 30.83 O ATOM 77 CB TYR A 70 -31.865 16.441 54.698 1.00 16.82 C ATOM 78 CG TYR A 70 -33.299 16.746 54.350 1.00 26.61 C ATOM 79 CD1 TYR A 70 -34.001 15.937 53.467 1.00 26.18 C ATOM 80 CD2 TYR A 70 -33.950 17.853 54.884 1.00 30.15 C ATOM 81 CE1 TYR A 70 -35.310 16.211 53.135 1.00 27.55 C ATOM 82 CE2 TYR A 70 -35.267 18.137 54.553 1.00 23.95 C ATOM 83 CZ TYR A 70 -35.937 17.310 53.675 1.00 29.13 C ATOM 84 OH TYR A 70 -37.240 17.576 53.323 1.00 37.01 O ATOM 85 HH TYR A 70 -37.557 16.884 52.690 1.00 0.00 H ATOM 86 H TYR A 70 -31.436 15.598 52.254 1.00 0.00 H ATOM 87 N THR A 71 -28.802 15.840 53.983 1.00 23.14 N ATOM 88 CA THR A 71 -27.416 15.686 54.415 1.00 23.20 C ATOM 89 C THR A 71 -26.454 16.184 53.341 1.00 32.23 C ATOM 90 O THR A 71 -25.327 16.571 53.639 1.00 25.47 O ATOM 91 CB THR A 71 -27.082 14.231 54.747 1.00 22.33 C ATOM 92 OG1 THR A 71 -27.146 13.442 53.549 1.00 22.15 O ATOM 93 CG2 THR A 71 -28.061 13.689 55.779 1.00 20.21 C ATOM 94 HG1 THR A 71 -26.930 12.500 53.764 1.00 0.00 H ATOM 95 H THR A 71 -29.271 15.080 53.450 1.00 0.00 H ATOM 96 N GLY A 72 -26.909 16.169 52.093 1.00 22.42 N ATOM 97 CA GLY A 72 -26.072 16.556 50.967 1.00 26.25 C ATOM 98 C GLY A 72 -25.140 15.440 50.514 1.00 30.70 C ATOM 99 O GLY A 72 -24.319 15.633 49.611 1.00 27.36 O ATOM 100 H GLY A 72 -27.890 15.873 51.916 1.00 0.00 H ATOM 101 N ASN A 73 -25.270 14.264 51.123 1.00 29.18 N ATOM 102 CA ASN A 73 -24.381 13.149 50.800 1.00 30.73 C ATOM 103 C ASN A 73 -24.986 12.092 49.882 1.00 24.38 C ATOM 104 O ASN A 73 -26.206 11.991 49.721 1.00 21.89 O ATOM 105 CB ASN A 73 -23.900 12.469 52.078 1.00 27.20 C ATOM 106 CG ASN A 73 -23.053 13.378 52.929 1.00 30.72 C ATOM 107 OD1 ASN A 73 -22.280 14.184 52.416 1.00 32.62 O ATOM 108 ND2 ASN A 73 -23.190 13.253 54.246 1.00 30.67 N ATOM 109 HD22 ASN A 73 -23.857 12.557 54.636 1.00 0.00 H ATOM 110 HD21 ASN A 73 -22.630 13.852 54.886 1.00 0.00 H ATOM 111 H ASN A 73 -26.014 14.136 51.838 1.00 0.00 H ATOM 112 N THR A 74 -24.097 11.313 49.274 1.00 26.66 N ATOM 113 CA THR A 74 -24.467 10.208 48.400 1.00 22.98 C ATOM 114 C THR A 74 -24.130 8.888 49.086 1.00 25.15 C ATOM 115 O THR A 74 -23.053 8.744 49.668 1.00 25.76 O ATOM 116 CB THR A 74 -23.737 10.312 47.051 1.00 27.80 C ATOM 117 OG1 THR A 74 -24.158 11.503 46.387 1.00 31.25 O ATOM 118 CG2 THR A 74 -24.037 9.122 46.164 1.00 27.09 C ATOM 119 HG1 THR A 74 -23.937 12.288 46.948 1.00 0.00 H ATOM 120 H THR A 74 -23.086 11.502 49.430 1.00 0.00 H ATOM 121 N TYR A 75 -25.059 7.936 49.019 1.00 21.25 N ATOM 122 CA TYR A 75 -24.956 6.687 49.763 1.00 21.63 C ATOM 123 C TYR A 75 -25.024 5.471 48.855 1.00 23.99 C ATOM 124 O TYR A 75 -25.594 5.536 47.769 1.00 25.99 O ATOM 125 CB TYR A 75 -26.073 6.604 50.811 1.00 18.31 C ATOM 126 CG TYR A 75 -26.083 7.785 51.741 1.00 23.38 C ATOM 127 CD1 TYR A 75 -25.337 7.775 52.920 1.00 22.44 C ATOM 128 CD2 TYR A 75 -26.825 8.927 51.437 1.00 19.97 C ATOM 129 CE1 TYR A 75 -25.340 8.862 53.771 1.00 25.85 C ATOM 130 CE2 TYR A 75 -26.830 10.024 52.287 1.00 24.11 C ATOM 131 CZ TYR A 75 -26.086 9.984 53.449 1.00 24.05 C ATOM 132 OH TYR A 75 -26.079 11.065 54.299 1.00 24.67 O ATOM 133 HH TYR A 75 -25.499 10.868 55.077 1.00 0.00 H ATOM 134 H TYR A 75 -25.890 8.090 48.413 1.00 0.00 H ATOM 135 N ARG A 76 -24.442 4.367 49.310 1.00 22.67 N ATOM 136 CA ARG A 76 -24.563 3.090 48.623 1.00 23.24 C ATOM 137 C ARG A 76 -25.746 2.327 49.196 1.00 25.96 C ATOM 138 O ARG A 76 -26.170 2.598 50.324 1.00 20.75 O ATOM 139 CB ARG A 76 -23.278 2.271 48.760 1.00 26.85 C ATOM 140 CG ARG A 76 -22.185 2.685 47.798 1.00 38.26 C ATOM 141 CD ARG A 76 -20.965 1.799 47.938 1.00 57.34 C ATOM 142 NE ARG A 76 -20.316 1.948 49.237 1.00 69.96 N ATOM 143 CZ ARG A 76 -19.380 1.126 49.704 1.00 78.37 C ATOM 144 NH1 ARG A 76 -18.975 0.091 48.975 1.00 80.41 N ATOM 145 NH2 ARG A 76 -18.839 1.343 50.896 1.00 80.81 N ATOM 146 HE ARG A 76 -20.604 2.748 49.836 1.00 0.00 H ATOM 147 HH12 ARG A 76 -18.243 -0.550 49.343 1.00 0.00 H ATOM 148 HH11 ARG A 76 -19.390 -0.078 48.037 1.00 0.00 H ATOM 149 HH22 ARG A 76 -18.107 0.700 51.260 1.00 0.00 H ATOM 150 HH21 ARG A 76 -19.147 2.156 51.466 1.00 0.00 H ATOM 151 H ARG A 76 -23.882 4.417 50.185 1.00 0.00 H ATOM 152 N VAL A 77 -26.285 1.384 48.428 1.00 21.03 N ATOM 153 CA VAL A 77 -27.405 0.571 48.901 1.00 22.30 C ATOM 154 C VAL A 77 -27.070 -0.120 50.225 1.00 23.34 C ATOM 155 O VAL A 77 -26.036 -0.774 50.350 1.00 24.89 O ATOM 156 CB VAL A 77 -27.817 -0.498 47.865 1.00 26.02 C ATOM 157 CG1 VAL A 77 -28.939 -1.370 48.414 1.00 22.84 C ATOM 158 CG2 VAL A 77 -28.245 0.164 46.551 1.00 27.41 C ATOM 159 H VAL A 77 -25.903 1.222 47.474 1.00 0.00 H ATOM 160 N GLY A 78 -27.940 0.051 51.216 1.00 20.61 N ATOM 161 CA GLY A 78 -27.749 -0.581 52.505 1.00 23.32 C ATOM 162 C GLY A 78 -27.082 0.333 53.515 1.00 24.51 C ATOM 163 O GLY A 78 -27.033 0.014 54.697 1.00 26.74 O ATOM 164 H GLY A 78 -28.775 0.651 51.062 1.00 0.00 H ATOM 165 N ASP A 79 -26.564 1.470 53.058 1.00 21.29 N ATOM 166 CA ASP A 79 -25.989 2.449 53.978 1.00 24.63 C ATOM 167 C ASP A 79 -27.083 2.994 54.887 1.00 22.96 C ATOM 168 O ASP A 79 -28.212 3.209 54.444 1.00 18.61 O ATOM 169 CB ASP A 79 -25.328 3.608 53.224 1.00 23.11 C ATOM 170 CG ASP A 79 -23.993 3.229 52.589 1.00 25.76 C ATOM 171 OD1 ASP A 79 -23.511 2.101 52.797 1.00 27.03 O ATOM 172 OD2 ASP A 79 -23.419 4.078 51.881 1.00 24.97 O ATOM 173 H ASP A 79 -26.568 1.664 52.036 1.00 0.00 H ATOM 174 N THR A 80 -26.744 3.221 56.149 1.00 22.07 N ATOM 175 CA THR A 80 -27.675 3.806 57.107 1.00 21.10 C ATOM 176 C THR A 80 -27.086 5.111 57.610 1.00 24.23 C ATOM 177 O THR A 80 -25.863 5.234 57.725 1.00 24.73 O ATOM 178 CB THR A 80 -27.944 2.868 58.299 1.00 28.94 C ATOM 179 OG1 THR A 80 -26.694 2.444 58.853 1.00 26.55 O ATOM 180 CG2 THR A 80 -28.718 1.640 57.853 1.00 23.90 C ATOM 181 HG1 THR A 80 -26.174 1.963 58.161 1.00 0.00 H ATOM 182 H THR A 80 -25.784 2.974 56.465 1.00 0.00 H ATOM 183 N TYR A 81 -27.938 6.089 57.908 1.00 15.50 N ATOM 184 CA TYR A 81 -27.447 7.392 58.332 1.00 18.83 C ATOM 185 C TYR A 81 -28.538 8.199 59.018 1.00 18.86 C ATOM 186 O TYR A 81 -29.716 7.837 58.983 1.00 17.82 O ATOM 187 CB TYR A 81 -26.893 8.171 57.129 1.00 22.30 C ATOM 188 CG TYR A 81 -27.936 8.481 56.081 1.00 21.15 C ATOM 189 CD1 TYR A 81 -28.625 9.691 56.094 1.00 17.21 C ATOM 190 CD2 TYR A 81 -28.249 7.557 55.085 1.00 20.88 C ATOM 191 CE1 TYR A 81 -29.590 9.981 55.138 1.00 16.03 C ATOM 192 CE2 TYR A 81 -29.214 7.836 54.125 1.00 19.09 C ATOM 193 CZ TYR A 81 -29.883 9.052 54.161 1.00 19.10 C ATOM 194 OH TYR A 81 -30.856 9.345 53.223 1.00 17.46 O ATOM 195 HH TYR A 81 -31.223 10.247 53.401 1.00 0.00 H ATOM 196 H TYR A 81 -28.962 5.921 57.837 1.00 0.00 H ATOM 197 N GLU A 82 -28.148 9.308 59.629 1.00 16.44 N ATOM 198 CA GLU A 82 -29.109 10.175 60.298 1.00 16.01 C ATOM 199 C GLU A 82 -29.439 11.388 59.441 1.00 16.89 C ATOM 200 O GLU A 82 -28.548 12.015 58.871 1.00 21.04 O ATOM 201 CB GLU A 82 -28.557 10.616 61.656 1.00 17.65 C ATOM 202 CG GLU A 82 -28.230 9.449 62.559 1.00 21.84 C ATOM 203 CD GLU A 82 -27.708 9.880 63.925 1.00 34.88 C ATOM 204 OE1 GLU A 82 -27.395 11.074 64.104 1.00 35.98 O ATOM 205 OE2 GLU A 82 -27.627 9.022 64.823 1.00 37.64 O ATOM 206 H GLU A 82 -27.140 9.564 59.631 1.00 0.00 H ATOM 207 N ARG A 83 -30.722 11.712 59.348 1.00 18.91 N ATOM 208 CA ARG A 83 -31.164 12.886 58.610 1.00 22.37 C ATOM 209 C ARG A 83 -31.858 13.883 59.521 1.00 18.26 C ATOM 210 O ARG A 83 -32.803 13.531 60.209 1.00 16.36 O ATOM 211 CB ARG A 83 -32.119 12.481 57.490 1.00 21.59 C ATOM 212 CG ARG A 83 -33.024 13.609 57.027 1.00 24.41 C ATOM 213 CD ARG A 83 -34.221 13.048 56.289 1.00 22.34 C ATOM 214 NE ARG A 83 -33.863 12.667 54.926 1.00 23.82 N ATOM 215 CZ ARG A 83 -34.760 12.453 53.973 1.00 27.26 C ATOM 216 NH1 ARG A 83 -34.374 12.127 52.744 1.00 26.10 N ATOM 217 NH2 ARG A 83 -36.055 12.578 54.262 1.00 25.62 N ATOM 218 HE ARG A 83 -32.856 12.558 54.691 1.00 0.00 H ATOM 219 HH12 ARG A 83 -35.084 11.961 52.003 1.00 0.00 H ATOM 220 HH11 ARG A 83 -33.362 12.038 52.523 1.00 0.00 H ATOM 221 HH22 ARG A 83 -36.770 12.413 53.525 1.00 0.00 H ATOM 222 HH21 ARG A 83 -36.350 12.840 55.224 1.00 0.00 H ATOM 223 H ARG A 83 -31.431 11.111 59.815 1.00 0.00 H ATOM 224 N PRO A 84 -31.396 15.138 59.524 1.00 20.30 N ATOM 225 CA PRO A 84 -32.116 16.166 60.279 1.00 20.06 C ATOM 226 C PRO A 84 -33.274 16.721 59.460 1.00 22.84 C ATOM 227 O PRO A 84 -33.047 17.267 58.377 1.00 26.20 O ATOM 228 CB PRO A 84 -31.048 17.230 60.518 1.00 24.59 C ATOM 229 CG PRO A 84 -30.157 17.122 59.299 1.00 28.84 C ATOM 230 CD PRO A 84 -30.175 15.668 58.882 1.00 23.13 C ATOM 231 N LYS A 85 -34.498 16.578 59.957 1.00 19.77 N ATOM 232 CA LYS A 85 -35.656 17.087 59.240 1.00 19.33 C ATOM 233 C LYS A 85 -36.832 17.326 60.173 1.00 16.04 C ATOM 234 O LYS A 85 -37.110 16.503 61.033 1.00 20.49 O ATOM 235 CB LYS A 85 -36.048 16.122 58.124 1.00 18.51 C ATOM 236 CG LYS A 85 -37.357 16.454 57.423 1.00 21.64 C ATOM 237 CD LYS A 85 -37.607 15.414 56.330 1.00 27.62 C ATOM 238 CE LYS A 85 -38.733 15.804 55.390 1.00 35.10 C ATOM 239 NZ LYS A 85 -40.060 15.462 55.941 1.00 35.15 N ATOM 240 HZ1 LYS A 85 -40.113 14.436 56.103 1.00 0.00 H ATOM 241 HZ2 LYS A 85 -40.200 15.964 56.841 1.00 0.00 H ATOM 242 HZ3 LYS A 85 -40.798 15.746 55.266 1.00 0.00 H ATOM 243 H LYS A 85 -34.629 16.096 60.869 1.00 0.00 H ATOM 244 N ASP A 86 -37.511 18.461 59.994 1.00 16.73 N ATOM 245 CA ASP A 86 -38.667 18.843 60.819 1.00 21.48 C ATOM 246 C ASP A 86 -38.394 18.770 62.325 1.00 21.96 C ATOM 247 O ASP A 86 -39.208 18.230 63.068 1.00 19.44 O ATOM 248 CB ASP A 86 -39.885 17.965 60.487 1.00 22.62 C ATOM 249 CG ASP A 86 -40.328 18.096 59.028 1.00 29.69 C ATOM 250 OD1 ASP A 86 -40.024 19.131 58.408 1.00 27.91 O ATOM 251 OD2 ASP A 86 -40.976 17.163 58.503 1.00 26.17 O ATOM 252 H ASP A 86 -37.209 19.105 59.236 1.00 0.00 H ATOM 253 N SER A 87 -37.254 19.308 62.755 1.00 19.71 N ATOM 254 CA SER A 87 -36.865 19.360 64.171 1.00 25.33 C ATOM 255 C SER A 87 -36.603 18.001 64.801 1.00 20.58 C ATOM 256 O SER A 87 -36.551 17.878 66.026 1.00 21.89 O ATOM 257 CB SER A 87 -37.929 20.086 64.999 1.00 32.61 C ATOM 258 OG SER A 87 -38.105 21.407 64.531 1.00 37.37 O ATOM 259 HG SER A 87 -38.795 21.860 65.077 1.00 0.00 H ATOM 260 H SER A 87 -36.604 19.713 62.051 1.00 0.00 H ATOM 261 N MET A 88 -36.435 16.983 63.973 1.00 19.49 N ATOM 262 CA MET A 88 -36.210 15.639 64.476 1.00 21.10 C ATOM 263 C MET A 88 -34.993 15.048 63.799 1.00 19.74 C ATOM 264 O MET A 88 -34.496 15.596 62.824 1.00 22.15 O ATOM 265 CB MET A 88 -37.443 14.756 64.232 1.00 17.37 C ATOM 266 CG MET A 88 -38.654 15.213 65.025 1.00 17.28 C ATOM 267 SD MET A 88 -40.098 14.179 64.799 1.00 23.59 S ATOM 268 CE MET A 88 -40.493 14.561 63.107 1.00 14.42 C ATOM 269 H MET A 88 -36.464 17.147 62.947 1.00 0.00 H ATOM 270 N ILE A 89 -34.497 13.945 64.338 1.00 18.50 N ATOM 271 CA ILE A 89 -33.484 13.160 63.654 1.00 16.41 C ATOM 272 C ILE A 89 -34.129 11.874 63.182 1.00 18.18 C ATOM 273 O ILE A 89 -34.736 11.148 63.975 1.00 18.12 O ATOM 274 CB ILE A 89 -32.281 12.815 64.557 1.00 19.69 C ATOM 275 CG1 ILE A 89 -31.629 14.070 65.143 1.00 23.91 C ATOM 276 CG2 ILE A 89 -31.273 11.970 63.774 1.00 19.94 C ATOM 277 CD1 ILE A 89 -31.098 15.027 64.104 1.00 29.65 C ATOM 278 H ILE A 89 -34.839 13.634 65.270 1.00 0.00 H ATOM 279 N TRP A 90 -34.003 11.601 61.889 1.00 13.80 N ATOM 280 CA TRP A 90 -34.553 10.400 61.288 1.00 15.72 C ATOM 281 C TRP A 90 -33.444 9.380 61.073 1.00 17.87 C ATOM 282 O TRP A 90 -32.326 9.751 60.725 1.00 19.85 O ATOM 283 CB TRP A 90 -35.219 10.728 59.943 1.00 14.64 C ATOM 284 CG TRP A 90 -36.308 11.745 60.049 1.00 14.62 C ATOM 285 CD1 TRP A 90 -36.179 13.071 60.390 1.00 15.71 C ATOM 286 CD2 TRP A 90 -37.695 11.524 59.802 1.00 14.21 C ATOM 287 NE1 TRP A 90 -37.411 13.682 60.368 1.00 17.43 N ATOM 288 CE2 TRP A 90 -38.358 12.753 60.010 1.00 16.53 C ATOM 289 CE3 TRP A 90 -38.446 10.401 59.426 1.00 14.41 C ATOM 290 CZ2 TRP A 90 -39.737 12.889 59.859 1.00 17.57 C ATOM 291 CZ3 TRP A 90 -39.813 10.535 59.287 1.00 17.10 C ATOM 292 CH2 TRP A 90 -40.445 11.776 59.493 1.00 16.65 C ATOM 293 HE1 TRP A 90 -37.595 14.682 60.586 1.00 0.00 H ATOM 294 H TRP A 90 -33.491 12.274 61.284 1.00 0.00 H ATOM 295 N ASP A 91 -33.757 8.104 61.278 1.00 16.07 N ATOM 296 CA ASP A 91 -32.868 7.019 60.885 1.00 13.32 C ATOM 297 C ASP A 91 -33.185 6.599 59.457 1.00 14.81 C ATOM 298 O ASP A 91 -34.253 6.041 59.196 1.00 17.54 O ATOM 299 CB ASP A 91 -33.021 5.821 61.825 1.00 14.34 C ATOM 300 CG ASP A 91 -32.594 6.139 63.246 1.00 22.81 C ATOM 301 OD1 ASP A 91 -31.638 6.924 63.402 1.00 24.83 O ATOM 302 OD2 ASP A 91 -33.215 5.611 64.205 1.00 22.55 O ATOM 303 H ASP A 91 -34.664 7.874 61.733 1.00 0.00 H ATOM 304 N CYS A 92 -32.261 6.841 58.533 1.00 14.22 N ATOM 305 CA CYS A 92 -32.530 6.565 57.123 1.00 13.30 C ATOM 306 C CYS A 92 -31.701 5.404 56.577 1.00 17.57 C ATOM 307 O CYS A 92 -30.622 5.090 57.092 1.00 14.78 O ATOM 308 CB CYS A 92 -32.270 7.816 56.284 1.00 18.75 C ATOM 309 SG CYS A 92 -33.336 9.222 56.701 1.00 20.87 S ATOM 310 H CYS A 92 -31.339 7.230 58.815 1.00 0.00 H ATOM 311 N THR A 93 -32.226 4.761 55.540 1.00 16.29 N ATOM 312 CA THR A 93 -31.524 3.675 54.869 1.00 15.00 C ATOM 313 C THR A 93 -31.640 3.871 53.363 1.00 16.70 C ATOM 314 O THR A 93 -32.738 4.123 52.844 1.00 17.85 O ATOM 315 CB THR A 93 -32.087 2.281 55.244 1.00 14.74 C ATOM 316 OG1 THR A 93 -32.121 2.127 56.667 1.00 15.81 O ATOM 317 CG2 THR A 93 -31.240 1.172 54.615 1.00 15.88 C ATOM 318 HG1 THR A 93 -32.700 2.827 57.060 1.00 0.00 H ATOM 319 H THR A 93 -33.167 5.041 55.197 1.00 0.00 H ATOM 320 N CYS A 94 -30.507 3.796 52.671 1.00 13.28 N ATOM 321 CA CYS A 94 -30.493 3.803 51.215 1.00 13.13 C ATOM 322 C CYS A 94 -30.962 2.446 50.692 1.00 17.07 C ATOM 323 O CYS A 94 -30.314 1.417 50.935 1.00 17.02 O ATOM 324 CB CYS A 94 -29.096 4.123 50.690 1.00 15.22 C ATOM 325 SG CYS A 94 -28.972 4.126 48.876 1.00 19.76 S ATOM 326 H CYS A 94 -29.605 3.730 53.184 1.00 0.00 H ATOM 327 N ILE A 95 -32.094 2.440 49.995 1.00 18.55 N ATOM 328 CA ILE A 95 -32.638 1.203 49.431 1.00 18.56 C ATOM 329 C ILE A 95 -32.332 1.126 47.933 1.00 17.98 C ATOM 330 O ILE A 95 -31.933 0.075 47.423 1.00 16.12 O ATOM 331 CB ILE A 95 -34.164 1.096 49.680 1.00 17.45 C ATOM 332 CG1 ILE A 95 -34.428 0.987 51.189 1.00 17.94 C ATOM 333 CG2 ILE A 95 -34.750 -0.109 48.949 1.00 18.48 C ATOM 334 CD1 ILE A 95 -35.877 0.988 51.548 1.00 25.52 C ATOM 335 H ILE A 95 -32.605 3.334 49.847 1.00 0.00 H ATOM 336 N GLY A 96 -32.480 2.246 47.234 1.00 16.22 N ATOM 337 CA GLY A 96 -32.172 2.285 45.811 1.00 17.55 C ATOM 338 C GLY A 96 -33.350 1.864 44.959 1.00 22.31 C ATOM 339 O GLY A 96 -34.127 2.705 44.504 1.00 22.57 O ATOM 340 H GLY A 96 -32.820 3.106 47.709 1.00 0.00 H ATOM 341 N ALA A 97 -33.478 0.555 44.750 1.00 31.29 N ATOM 342 CA ALA A 97 -34.586 -0.024 43.989 1.00 30.57 C ATOM 343 C ALA A 97 -34.716 0.593 42.595 1.00 31.19 C ATOM 344 O ALA A 97 -35.820 0.720 42.062 1.00 33.73 O ATOM 345 CB ALA A 97 -35.894 0.128 44.764 1.00 29.56 C ATOM 346 H ALA A 97 -32.759 -0.084 45.145 1.00 0.00 H ATOM 347 N GLY A 98 -33.584 0.985 42.018 1.00 27.37 N ATOM 348 CA GLY A 98 -33.556 1.552 40.683 1.00 27.53 C ATOM 349 C GLY A 98 -33.967 3.012 40.626 1.00 31.42 C ATOM 350 O GLY A 98 -34.044 3.575 39.550 1.00 29.59 O ATOM 351 H GLY A 98 -32.691 0.882 42.540 1.00 0.00 H ATOM 352 N ARG A 99 -34.217 3.643 41.770 1.00 24.87 N ATOM 353 CA ARG A 99 -34.740 5.010 41.738 1.00 23.77 C ATOM 354 C ARG A 99 -34.248 5.870 42.917 1.00 22.38 C ATOM 355 O ARG A 99 -34.859 6.883 43.281 1.00 23.93 O ATOM 356 CB ARG A 99 -36.272 4.961 41.689 1.00 22.69 C ATOM 357 CG ARG A 99 -36.947 6.234 41.199 1.00 24.25 C ATOM 358 CD ARG A 99 -38.380 5.973 40.734 1.00 29.90 C ATOM 359 NE ARG A 99 -39.125 7.219 40.590 1.00 26.80 N ATOM 360 CZ ARG A 99 -40.271 7.343 39.927 1.00 27.34 C ATOM 361 NH1 ARG A 99 -40.827 6.294 39.336 1.00 25.58 N ATOM 362 NH2 ARG A 99 -40.863 8.527 39.858 1.00 25.23 N ATOM 363 HE ARG A 99 -38.732 8.071 41.038 1.00 0.00 H ATOM 364 HH12 ARG A 99 -41.723 6.402 38.820 1.00 0.00 H ATOM 365 HH11 ARG A 99 -40.367 5.363 39.388 1.00 0.00 H ATOM 366 HH22 ARG A 99 -41.759 8.631 39.341 1.00 0.00 H ATOM 367 HH21 ARG A 99 -40.431 9.352 40.321 1.00 0.00 H ATOM 368 H ARG A 99 -34.042 3.169 42.679 1.00 0.00 H ATOM 369 N GLY A 100 -33.121 5.469 43.492 1.00 22.29 N ATOM 370 CA GLY A 100 -32.529 6.192 44.601 1.00 25.20 C ATOM 371 C GLY A 100 -33.450 6.257 45.797 1.00 22.50 C ATOM 372 O GLY A 100 -33.438 7.235 46.539 1.00 20.39 O ATOM 373 H GLY A 100 -32.649 4.613 43.137 1.00 0.00 H ATOM 374 N ARG A 101 -34.247 5.211 45.990 1.00 16.51 N ATOM 375 CA ARG A 101 -35.231 5.212 47.057 1.00 14.53 C ATOM 376 C ARG A 101 -34.582 5.216 48.442 1.00 13.49 C ATOM 377 O ARG A 101 -33.701 4.406 48.750 1.00 16.95 O ATOM 378 CB ARG A 101 -36.173 4.012 46.937 1.00 16.69 C ATOM 379 CG ARG A 101 -37.200 3.996 48.076 1.00 23.50 C ATOM 380 CD ARG A 101 -38.153 2.840 47.993 1.00 27.98 C ATOM 381 NE ARG A 101 -38.624 2.646 46.633 1.00 35.81 N ATOM 382 CZ ARG A 101 -39.437 1.663 46.278 1.00 45.14 C ATOM 383 NH1 ARG A 101 -39.874 0.814 47.202 1.00 47.70 N ATOM 384 NH2 ARG A 101 -39.820 1.540 45.015 1.00 37.07 N ATOM 385 HE ARG A 101 -38.307 3.313 45.901 1.00 0.00 H ATOM 386 HH12 ARG A 101 -40.513 0.038 46.935 1.00 0.00 H ATOM 387 HH11 ARG A 101 -39.577 0.925 48.192 1.00 0.00 H ATOM 388 HH22 ARG A 101 -40.459 0.767 44.738 1.00 0.00 H ATOM 389 HH21 ARG A 101 -39.482 2.216 44.301 1.00 0.00 H ATOM 390 H ARG A 101 -34.165 4.381 45.369 1.00 0.00 H ATOM 391 N ILE A 102 -35.034 6.140 49.279 1.00 15.23 N ATOM 392 CA ILE A 102 -34.564 6.242 50.654 1.00 14.32 C ATOM 393 C ILE A 102 -35.746 5.988 51.578 1.00 16.18 C ATOM 394 O ILE A 102 -36.858 6.467 51.312 1.00 17.95 O ATOM 395 CB ILE A 102 -33.967 7.634 50.934 1.00 16.55 C ATOM 396 CG1 ILE A 102 -32.741 7.879 50.062 1.00 19.92 C ATOM 397 CG2 ILE A 102 -33.637 7.802 52.421 1.00 22.69 C ATOM 398 CD1 ILE A 102 -32.330 9.349 49.997 1.00 25.08 C ATOM 399 H ILE A 102 -35.749 6.816 48.942 1.00 0.00 H ATOM 400 N SER A 103 -35.515 5.231 52.645 1.00 15.89 N ATOM 401 CA SER A 103 -36.516 5.026 53.685 1.00 19.94 C ATOM 402 C SER A 103 -36.045 5.639 55.002 1.00 17.71 C ATOM 403 O SER A 103 -34.923 5.386 55.450 1.00 16.55 O ATOM 404 CB SER A 103 -36.806 3.539 53.873 1.00 16.90 C ATOM 405 OG SER A 103 -37.632 3.354 55.011 1.00 23.23 O ATOM 406 HG SER A 103 -37.169 3.703 55.814 1.00 0.00 H ATOM 407 H SER A 103 -34.588 4.769 52.742 1.00 0.00 H ATOM 408 N CYS A 104 -36.900 6.454 55.614 1.00 16.07 N ATOM 409 CA CYS A 104 -36.539 7.176 56.835 1.00 15.03 C ATOM 410 C CYS A 104 -37.560 6.940 57.924 1.00 15.39 C ATOM 411 O CYS A 104 -38.754 6.946 57.649 1.00 15.35 O ATOM 412 CB CYS A 104 -36.427 8.677 56.554 1.00 23.23 C ATOM 413 SG CYS A 104 -35.010 9.152 55.510 1.00 22.78 S ATOM 414 H CYS A 104 -37.851 6.582 55.214 1.00 0.00 H ATOM 415 N THR A 105 -37.111 6.751 59.164 1.00 14.98 N ATOM 416 CA THR A 105 -38.069 6.519 60.240 1.00 15.42 C ATOM 417 C THR A 105 -37.712 7.221 61.551 1.00 18.84 C ATOM 418 O THR A 105 -36.534 7.401 61.884 1.00 11.84 O ATOM 419 CB THR A 105 -38.245 5.012 60.512 1.00 17.84 C ATOM 420 OG1 THR A 105 -39.197 4.832 61.567 1.00 16.33 O ATOM 421 CG2 THR A 105 -36.920 4.350 60.896 1.00 18.45 C ATOM 422 HG1 THR A 105 -39.312 3.865 61.744 1.00 0.00 H ATOM 423 H THR A 105 -36.090 6.769 59.363 1.00 0.00 H ATOM 424 N ILE A 106 -38.744 7.651 62.272 1.00 12.72 N ATOM 425 CA ILE A 106 -38.574 8.132 63.640 1.00 15.98 C ATOM 426 C ILE A 106 -39.212 7.165 64.644 1.00 18.56 C ATOM 427 O ILE A 106 -39.389 7.511 65.814 1.00 19.59 O ATOM 428 CB ILE A 106 -39.192 9.530 63.854 1.00 19.15 C ATOM 429 CG1 ILE A 106 -40.671 9.537 63.442 1.00 22.33 C ATOM 430 CG2 ILE A 106 -38.398 10.606 63.103 1.00 15.13 C ATOM 431 CD1 ILE A 106 -41.397 10.864 63.748 1.00 22.44 C ATOM 432 H ILE A 106 -39.695 7.644 61.851 1.00 0.00 H ATOM 433 N ALA A 107 -39.556 5.957 64.199 1.00 15.14 N ATOM 434 CA ALA A 107 -40.235 5.003 65.083 1.00 15.06 C ATOM 435 C ALA A 107 -39.342 4.524 66.226 1.00 16.68 C ATOM 436 O ALA A 107 -39.831 4.107 67.287 1.00 14.87 O ATOM 437 CB ALA A 107 -40.732 3.806 64.285 1.00 17.13 C ATOM 438 H ALA A 107 -39.342 5.688 63.217 1.00 0.00 H ATOM 439 N ASN A 108 -38.034 4.577 65.995 1.00 16.68 N ATOM 440 CA ASN A 108 -37.059 3.996 66.913 1.00 19.32 C ATOM 441 C ASN A 108 -36.258 5.063 67.645 1.00 21.90 C ATOM 442 O ASN A 108 -35.172 4.795 68.168 1.00 17.92 O ATOM 443 CB ASN A 108 -36.124 3.061 66.141 1.00 20.72 C ATOM 444 CG ASN A 108 -36.887 2.076 65.293 1.00 22.11 C ATOM 445 OD1 ASN A 108 -36.640 1.933 64.085 1.00 25.96 O ATOM 446 ND2 ASN A 108 -37.847 1.408 65.911 1.00 19.29 N ATOM 447 HD22 ASN A 108 -38.017 1.561 66.925 1.00 0.00 H ATOM 448 HD21 ASN A 108 -38.432 0.730 65.382 1.00 0.00 H ATOM 449 H ASN A 108 -37.694 5.048 65.132 1.00 0.00 H ATOM 450 N ARG A 109 -36.805 6.277 67.657 1.00 15.38 N ATOM 451 CA ARG A 109 -36.223 7.381 68.387 1.00 18.26 C ATOM 452 C ARG A 109 -37.290 8.013 69.242 1.00 15.36 C ATOM 453 O ARG A 109 -38.480 7.902 68.946 1.00 17.80 O ATOM 454 CB ARG A 109 -35.611 8.415 67.437 1.00 22.11 C ATOM 455 CG ARG A 109 -34.277 7.978 66.895 1.00 26.35 C ATOM 456 CD ARG A 109 -33.676 9.016 65.996 1.00 24.75 C ATOM 457 NE ARG A 109 -32.299 8.666 65.674 1.00 26.28 N ATOM 458 CZ ARG A 109 -31.239 9.174 66.289 1.00 28.47 C ATOM 459 NH1 ARG A 109 -31.387 10.075 67.254 1.00 24.21 N ATOM 460 NH2 ARG A 109 -30.029 8.783 65.931 1.00 34.55 N ATOM 461 HE ARG A 109 -32.137 7.974 64.914 1.00 0.00 H ATOM 462 HH12 ARG A 109 -30.551 10.468 67.731 1.00 0.00 H ATOM 463 HH11 ARG A 109 -32.339 10.387 67.532 1.00 0.00 H ATOM 464 HH22 ARG A 109 -29.193 9.176 66.408 1.00 0.00 H ATOM 465 HH21 ARG A 109 -29.912 8.082 65.172 1.00 0.00 H ATOM 466 H ARG A 109 -37.682 6.437 67.122 1.00 0.00 H ATOM 467 N CYS A 110 -36.859 8.658 70.319 1.00 17.06 N ATOM 468 CA CYS A 110 -37.773 9.365 71.194 1.00 14.44 C ATOM 469 C CYS A 110 -37.497 10.857 71.113 1.00 15.50 C ATOM 470 O CYS A 110 -36.444 11.329 71.549 1.00 19.53 O ATOM 471 CB CYS A 110 -37.638 8.867 72.641 1.00 14.49 C ATOM 472 SG CYS A 110 -37.910 7.094 72.830 1.00 16.12 S ATOM 473 H CYS A 110 -35.843 8.656 70.540 1.00 0.00 H ATOM 474 N HIS A 111 -38.436 11.598 70.530 1.00 15.74 N ATOM 475 CA HIS A 111 -38.321 13.036 70.481 1.00 14.87 C ATOM 476 C HIS A 111 -39.112 13.637 71.627 1.00 20.28 C ATOM 477 O HIS A 111 -40.322 13.847 71.539 1.00 16.11 O ATOM 478 CB HIS A 111 -38.765 13.556 69.106 1.00 14.49 C ATOM 479 CG HIS A 111 -37.844 13.128 68.014 1.00 18.12 C ATOM 480 ND1 HIS A 111 -38.024 11.958 67.304 1.00 15.24 N ATOM 481 CD2 HIS A 111 -36.688 13.667 67.562 1.00 16.66 C ATOM 482 CE1 HIS A 111 -37.043 11.820 66.431 1.00 17.75 C ATOM 483 NE2 HIS A 111 -36.208 12.837 66.580 1.00 20.47 N ATOM 484 H HIS A 111 -39.264 11.135 70.104 1.00 0.00 H ATOM 485 N GLU A 112 -38.403 13.873 72.725 1.00 19.39 N ATOM 486 CA GLU A 112 -38.997 14.433 73.927 1.00 21.96 C ATOM 487 C GLU A 112 -38.301 15.737 74.230 1.00 24.88 C ATOM 488 O GLU A 112 -37.072 15.825 74.132 1.00 29.12 O ATOM 489 CB GLU A 112 -38.862 13.462 75.109 1.00 20.12 C ATOM 490 CG GLU A 112 -39.715 13.807 76.323 1.00 21.88 C ATOM 491 CD GLU A 112 -39.153 14.928 77.179 1.00 25.60 C ATOM 492 OE1 GLU A 112 -39.943 15.800 77.583 1.00 27.66 O ATOM 493 OE2 GLU A 112 -37.935 14.927 77.464 1.00 29.37 O ATOM 494 H GLU A 112 -37.387 13.649 72.724 1.00 0.00 H ATOM 495 N GLY A 113 -39.082 16.752 74.585 1.00 23.20 N ATOM 496 CA GLY A 113 -38.526 17.990 75.096 1.00 24.59 C ATOM 497 C GLY A 113 -37.702 18.749 74.081 1.00 25.76 C ATOM 498 O GLY A 113 -36.889 19.603 74.448 1.00 26.66 O ATOM 499 H GLY A 113 -40.114 16.656 74.494 1.00 0.00 H ATOM 500 N GLY A 114 -37.918 18.451 72.802 1.00 22.07 N ATOM 501 CA GLY A 114 -37.158 19.105 71.746 1.00 23.35 C ATOM 502 C GLY A 114 -35.841 18.397 71.443 1.00 31.02 C ATOM 503 O GLY A 114 -35.121 18.772 70.506 1.00 30.27 O ATOM 504 H GLY A 114 -38.638 17.743 72.554 1.00 0.00 H ATOM 505 N GLN A 115 -35.522 17.369 72.229 1.00 24.42 N ATOM 506 CA GLN A 115 -34.319 16.562 71.982 1.00 25.00 C ATOM 507 C GLN A 115 -34.628 15.297 71.175 1.00 20.32 C ATOM 508 O GLN A 115 -35.791 14.980 70.927 1.00 23.04 O ATOM 509 CB GLN A 115 -33.656 16.187 73.309 1.00 22.75 C ATOM 510 CG GLN A 115 -33.536 17.359 74.298 1.00 28.40 C ATOM 511 CD GLN A 115 -32.544 18.413 73.841 1.00 31.13 C ATOM 512 OE1 GLN A 115 -31.746 18.177 72.936 1.00 33.55 O ATOM 513 NE2 GLN A 115 -32.595 19.588 74.464 1.00 34.95 N ATOM 514 HE22 GLN A 115 -33.287 19.744 75.225 1.00 0.00 H ATOM 515 HE21 GLN A 115 -31.943 20.351 74.190 1.00 0.00 H ATOM 516 H GLN A 115 -36.137 17.133 73.034 1.00 0.00 H ATOM 517 N SER A 116 -33.585 14.575 70.771 1.00 23.64 N ATOM 518 CA SER A 116 -33.744 13.334 70.012 1.00 20.88 C ATOM 519 C SER A 116 -32.915 12.205 70.625 1.00 22.94 C ATOM 520 O SER A 116 -31.689 12.257 70.620 1.00 27.14 O ATOM 521 CB SER A 116 -33.344 13.538 68.552 1.00 24.78 C ATOM 522 OG SER A 116 -33.415 12.315 67.827 1.00 25.30 O ATOM 523 HG SER A 116 -34.342 11.968 67.857 1.00 0.00 H ATOM 524 H SER A 116 -32.626 14.904 71.002 1.00 0.00 H ATOM 525 N TYR A 117 -33.585 11.186 71.147 1.00 15.38 N ATOM 526 CA TYR A 117 -32.906 10.105 71.848 1.00 15.75 C ATOM 527 C TYR A 117 -33.042 8.773 71.135 1.00 21.06 C ATOM 528 O TYR A 117 -34.029 8.535 70.439 1.00 18.33 O ATOM 529 CB TYR A 117 -33.452 9.970 73.273 1.00 15.57 C ATOM 530 CG TYR A 117 -33.161 11.187 74.118 1.00 18.42 C ATOM 531 CD1 TYR A 117 -31.883 11.412 74.611 1.00 21.83 C ATOM 532 CD2 TYR A 117 -34.158 12.105 74.428 1.00 18.37 C ATOM 533 CE1 TYR A 117 -31.594 12.528 75.382 1.00 22.25 C ATOM 534 CE2 TYR A 117 -33.883 13.230 75.214 1.00 20.48 C ATOM 535 CZ TYR A 117 -32.594 13.432 75.681 1.00 21.85 C ATOM 536 OH TYR A 117 -32.297 14.534 76.453 1.00 28.56 O ATOM 537 HH TYR A 117 -31.337 14.517 76.695 1.00 0.00 H ATOM 538 H TYR A 117 -34.620 11.158 71.053 1.00 0.00 H ATOM 539 N LYS A 118 -32.046 7.910 71.324 1.00 18.55 N ATOM 540 CA LYS A 118 -32.079 6.546 70.808 1.00 16.28 C ATOM 541 C LYS A 118 -32.560 5.556 71.849 1.00 19.08 C ATOM 542 O LYS A 118 -32.521 5.838 73.050 1.00 17.22 O ATOM 543 CB LYS A 118 -30.692 6.136 70.314 1.00 22.05 C ATOM 544 CG LYS A 118 -30.140 7.082 69.280 1.00 26.50 C ATOM 545 CD LYS A 118 -29.060 6.445 68.441 1.00 31.78 C ATOM 546 CE LYS A 118 -27.729 6.450 69.144 1.00 43.45 C ATOM 547 NZ LYS A 118 -26.629 6.322 68.143 1.00 53.85 N ATOM 548 HZ1 LYS A 118 -26.740 5.430 67.620 1.00 0.00 H ATOM 549 HZ2 LYS A 118 -26.671 7.121 67.479 1.00 0.00 H ATOM 550 HZ3 LYS A 118 -25.712 6.326 68.634 1.00 0.00 H ATOM 551 H LYS A 118 -31.211 8.221 71.861 1.00 0.00 H ATOM 552 N ILE A 119 -33.019 4.391 71.396 1.00 15.81 N ATOM 553 CA ILE A 119 -33.532 3.380 72.322 1.00 13.68 C ATOM 554 C ILE A 119 -32.498 3.031 73.387 1.00 15.93 C ATOM 555 O ILE A 119 -31.337 2.775 73.074 1.00 16.75 O ATOM 556 CB ILE A 119 -33.947 2.110 71.584 1.00 18.39 C ATOM 557 CG1 ILE A 119 -35.173 2.398 70.724 1.00 21.15 C ATOM 558 CG2 ILE A 119 -34.231 0.972 72.583 1.00 18.66 C ATOM 559 CD1 ILE A 119 -35.639 1.203 69.913 1.00 29.37 C ATOM 560 H ILE A 119 -33.013 4.197 70.374 1.00 0.00 H ATOM 561 N GLY A 120 -32.911 3.060 74.650 1.00 16.76 N ATOM 562 CA GLY A 120 -31.986 2.788 75.729 1.00 15.47 C ATOM 563 C GLY A 120 -31.367 4.022 76.351 1.00 20.23 C ATOM 564 O GLY A 120 -30.847 3.946 77.473 1.00 19.02 O ATOM 565 H GLY A 120 -33.905 3.279 74.864 1.00 0.00 H ATOM 566 N ASP A 121 -31.405 5.155 75.647 1.00 16.36 N ATOM 567 CA ASP A 121 -30.948 6.414 76.241 1.00 16.95 C ATOM 568 C ASP A 121 -31.781 6.774 77.462 1.00 16.59 C ATOM 569 O ASP A 121 -32.994 6.537 77.483 1.00 18.79 O ATOM 570 CB ASP A 121 -31.024 7.575 75.250 1.00 17.66 C ATOM 571 CG ASP A 121 -29.971 7.504 74.155 1.00 24.39 C ATOM 572 OD1 ASP A 121 -29.056 6.653 74.220 1.00 20.00 O ATOM 573 OD2 ASP A 121 -30.058 8.335 73.226 1.00 18.07 O ATOM 574 H ASP A 121 -31.761 5.144 74.670 1.00 0.00 H ATOM 575 N THR A 122 -31.139 7.343 78.479 1.00 18.54 N ATOM 576 CA THR A 122 -31.875 7.949 79.590 1.00 22.07 C ATOM 577 C THR A 122 -31.548 9.442 79.683 1.00 23.09 C ATOM 578 O THR A 122 -30.473 9.877 79.281 1.00 20.56 O ATOM 579 CB THR A 122 -31.555 7.293 80.940 1.00 25.03 C ATOM 580 OG1 THR A 122 -30.196 7.572 81.285 1.00 24.44 O ATOM 581 CG2 THR A 122 -31.764 5.789 80.890 1.00 19.43 C ATOM 582 HG1 THR A 122 -30.068 8.551 81.351 1.00 0.00 H ATOM 583 H THR A 122 -30.099 7.357 78.485 1.00 0.00 H ATOM 584 N TRP A 123 -32.481 10.231 80.194 1.00 19.62 N ATOM 585 CA TRP A 123 -32.222 11.648 80.387 1.00 17.89 C ATOM 586 C TRP A 123 -33.048 12.175 81.553 1.00 18.95 C ATOM 587 O TRP A 123 -33.935 11.485 82.081 1.00 17.80 O ATOM 588 CB TRP A 123 -32.509 12.447 79.109 1.00 17.10 C ATOM 589 CG TRP A 123 -33.933 12.391 78.625 1.00 18.41 C ATOM 590 CD1 TRP A 123 -34.900 13.342 78.800 1.00 19.58 C ATOM 591 CD2 TRP A 123 -34.542 11.334 77.871 1.00 13.22 C ATOM 592 NE1 TRP A 123 -36.078 12.937 78.206 1.00 19.05 N ATOM 593 CE2 TRP A 123 -35.883 11.707 77.631 1.00 16.57 C ATOM 594 CE3 TRP A 123 -34.083 10.107 77.378 1.00 16.74 C ATOM 595 CZ2 TRP A 123 -36.773 10.894 76.920 1.00 15.76 C ATOM 596 CZ3 TRP A 123 -34.960 9.305 76.664 1.00 18.06 C ATOM 597 CH2 TRP A 123 -36.297 9.697 76.453 1.00 13.51 C ATOM 598 HE1 TRP A 123 -36.967 13.476 78.196 1.00 0.00 H ATOM 599 H TRP A 123 -33.405 9.834 80.459 1.00 0.00 H ATOM 600 N ARG A 124 -32.730 13.391 81.977 1.00 16.11 N ATOM 601 CA ARG A 124 -33.464 14.028 83.064 1.00 15.81 C ATOM 602 C ARG A 124 -34.110 15.306 82.572 1.00 16.61 C ATOM 603 O ARG A 124 -33.531 16.035 81.772 1.00 24.00 O ATOM 604 CB ARG A 124 -32.536 14.313 84.240 1.00 19.57 C ATOM 605 CG ARG A 124 -31.682 13.122 84.572 1.00 27.37 C ATOM 606 CD ARG A 124 -31.146 13.193 85.945 1.00 40.91 C ATOM 607 NE ARG A 124 -30.711 11.876 86.382 1.00 45.99 N ATOM 608 CZ ARG A 124 -30.253 11.629 87.599 1.00 40.10 C ATOM 609 NH1 ARG A 124 -30.184 12.617 88.479 1.00 29.81 N ATOM 610 NH2 ARG A 124 -29.863 10.406 87.931 1.00 44.66 N ATOM 611 HE ARG A 124 -30.762 11.089 85.704 1.00 0.00 H ATOM 612 HH12 ARG A 124 -29.826 12.435 89.438 1.00 0.00 H ATOM 613 HH11 ARG A 124 -30.488 13.575 88.211 1.00 0.00 H ATOM 614 HH22 ARG A 124 -29.504 10.217 88.888 1.00 0.00 H ATOM 615 HH21 ARG A 124 -29.916 9.636 87.234 1.00 0.00 H ATOM 616 H ARG A 124 -31.943 13.899 81.526 1.00 0.00 H ATOM 617 N ARG A 125 -35.319 15.566 83.044 1.00 17.38 N ATOM 618 CA ARG A 125 -36.025 16.767 82.650 1.00 20.51 C ATOM 619 C ARG A 125 -36.858 17.224 83.835 1.00 19.59 C ATOM 620 O ARG A 125 -37.297 16.401 84.640 1.00 17.18 O ATOM 621 CB ARG A 125 -36.896 16.512 81.405 1.00 24.11 C ATOM 622 CG ARG A 125 -37.967 15.437 81.585 1.00 29.40 C ATOM 623 CD ARG A 125 -39.250 15.793 80.837 1.00 35.32 C ATOM 624 NE ARG A 125 -39.724 17.107 81.233 1.00 44.54 N ATOM 625 CZ ARG A 125 -39.922 18.120 80.395 1.00 56.31 C ATOM 626 NH1 ARG A 125 -39.691 17.969 79.093 1.00 57.48 N ATOM 627 NH2 ARG A 125 -40.347 19.288 80.864 1.00 55.97 N ATOM 628 HE ARG A 125 -39.922 17.267 82.241 1.00 0.00 H ATOM 629 HH12 ARG A 125 -39.847 18.764 78.441 1.00 0.00 H ATOM 630 HH11 ARG A 125 -39.354 17.056 78.727 1.00 0.00 H ATOM 631 HH22 ARG A 125 -40.504 20.084 80.213 1.00 0.00 H ATOM 632 HH21 ARG A 125 -40.523 19.407 81.882 1.00 0.00 H ATOM 633 H ARG A 125 -35.767 14.900 83.705 1.00 0.00 H ATOM 634 N PRO A 126 -37.074 18.536 83.960 1.00 24.48 N ATOM 635 CA PRO A 126 -37.789 19.005 85.156 1.00 23.47 C ATOM 636 C PRO A 126 -39.274 18.629 85.122 1.00 26.02 C ATOM 637 O PRO A 126 -39.872 18.525 84.046 1.00 20.27 O ATOM 638 CB PRO A 126 -37.584 20.523 85.118 1.00 23.64 C ATOM 639 CG PRO A 126 -37.320 20.841 83.663 1.00 27.86 C ATOM 640 CD PRO A 126 -36.677 19.633 83.053 1.00 22.18 C ATOM 641 N HIS A 127 -39.847 18.366 86.291 1.00 24.10 N ATOM 642 CA HIS A 127 -41.289 18.216 86.391 1.00 25.06 C ATOM 643 C HIS A 127 -41.872 19.617 86.322 1.00 32.13 C ATOM 644 O HIS A 127 -41.334 20.544 86.926 1.00 31.37 O ATOM 645 CB HIS A 127 -41.702 17.510 87.687 1.00 21.17 C ATOM 646 CG HIS A 127 -43.175 17.260 87.792 1.00 23.00 C ATOM 647 ND1 HIS A 127 -44.051 18.198 88.292 1.00 24.87 N ATOM 648 CD2 HIS A 127 -43.928 16.185 87.455 1.00 21.01 C ATOM 649 CE1 HIS A 127 -45.280 17.713 88.256 1.00 26.16 C ATOM 650 NE2 HIS A 127 -45.232 16.490 87.766 1.00 23.07 N ATOM 651 H HIS A 127 -39.258 18.267 87.143 1.00 0.00 H ATOM 652 N GLU A 128 -42.967 19.767 85.587 1.00 37.42 N ATOM 653 CA GLU A 128 -43.488 21.088 85.244 1.00 54.48 C ATOM 654 C GLU A 128 -43.598 21.993 86.457 1.00 49.20 C ATOM 655 O GLU A 128 -43.199 23.155 86.434 1.00 46.95 O ATOM 656 CB GLU A 128 -44.871 20.970 84.586 1.00 65.59 C ATOM 657 CG GLU A 128 -45.089 19.729 83.717 1.00 75.51 C ATOM 658 CD GLU A 128 -44.202 19.639 82.479 1.00 83.39 C ATOM 659 OE1 GLU A 128 -43.283 20.467 82.302 1.00 88.95 O ATOM 660 OE2 GLU A 128 -44.431 18.711 81.675 1.00 82.44 O ATOM 661 H GLU A 128 -43.467 18.921 85.246 1.00 0.00 H ATOM 662 N THR A 129 -44.135 21.433 87.528 1.00 43.56 N ATOM 663 CA THR A 129 -44.652 22.241 88.609 1.00 44.56 C ATOM 664 C THR A 129 -44.203 21.729 89.962 1.00 34.08 C ATOM 665 O THR A 129 -44.090 22.494 90.904 1.00 40.88 O ATOM 666 CB THR A 129 -46.187 22.290 88.545 1.00 49.54 C ATOM 667 OG1 THR A 129 -46.691 20.968 88.328 1.00 46.70 O ATOM 668 CG2 THR A 129 -46.635 23.186 87.403 1.00 48.56 C ATOM 669 HG1 THR A 129 -47.680 20.996 88.286 1.00 0.00 H ATOM 670 H THR A 129 -44.186 20.396 87.593 1.00 0.00 H ATOM 671 N GLY A 130 -43.913 20.438 90.040 1.00 32.15 N ATOM 672 CA GLY A 130 -43.502 19.815 91.278 1.00 37.27 C ATOM 673 C GLY A 130 -42.196 20.274 91.900 1.00 46.45 C ATOM 674 O GLY A 130 -42.005 20.099 93.104 1.00 43.02 O ATOM 675 H GLY A 130 -43.983 19.854 89.182 1.00 0.00 H ATOM 676 N GLY A 131 -41.300 20.841 91.097 1.00 39.07 N ATOM 677 CA GLY A 131 -40.031 21.309 91.610 1.00 33.62 C ATOM 678 C GLY A 131 -38.970 20.225 91.727 1.00 37.02 C ATOM 679 O GLY A 131 -37.904 20.470 92.296 1.00 45.61 O ATOM 680 H GLY A 131 -41.515 20.949 90.085 1.00 0.00 H ATOM 681 N TYR A 132 -39.251 19.026 91.213 1.00 23.55 N ATOM 682 CA TYR A 132 -38.265 17.935 91.199 1.00 20.33 C ATOM 683 C TYR A 132 -37.997 17.523 89.757 1.00 20.21 C ATOM 684 O TYR A 132 -38.645 18.035 88.839 1.00 22.16 O ATOM 685 CB TYR A 132 -38.736 16.716 92.017 1.00 21.20 C ATOM 686 CG TYR A 132 -40.120 16.231 91.649 1.00 23.12 C ATOM 687 CD1 TYR A 132 -41.233 16.703 92.333 1.00 24.07 C ATOM 688 CD2 TYR A 132 -40.317 15.329 90.605 1.00 20.14 C ATOM 689 CE1 TYR A 132 -42.501 16.289 92.005 1.00 24.13 C ATOM 690 CE2 TYR A 132 -41.598 14.906 90.262 1.00 16.30 C ATOM 691 CZ TYR A 132 -42.678 15.391 90.970 1.00 18.62 C ATOM 692 OH TYR A 132 -43.947 14.988 90.640 1.00 21.76 O ATOM 693 HH TYR A 132 -44.599 15.427 91.242 1.00 0.00 H ATOM 694 H TYR A 132 -40.195 18.858 90.810 1.00 0.00 H ATOM 695 N MET A 133 -37.039 16.621 89.555 1.00 16.06 N ATOM 696 CA MET A 133 -36.699 16.169 88.213 1.00 19.76 C ATOM 697 C MET A 133 -37.338 14.815 87.929 1.00 20.67 C ATOM 698 O MET A 133 -37.698 14.079 88.848 1.00 14.67 O ATOM 699 CB MET A 133 -35.184 16.076 88.034 1.00 17.21 C ATOM 700 CG MET A 133 -34.432 17.385 88.315 1.00 17.38 C ATOM 701 SD MET A 133 -34.814 18.654 87.094 1.00 22.74 S ATOM 702 CE MET A 133 -34.012 17.974 85.641 1.00 23.06 C ATOM 703 H MET A 133 -36.524 16.232 90.370 1.00 0.00 H ATOM 704 N LEU A 134 -37.492 14.521 86.645 1.00 13.80 N ATOM 705 CA LEU A 134 -37.932 13.218 86.164 1.00 14.86 C ATOM 706 C LEU A 134 -36.754 12.518 85.511 1.00 15.34 C ATOM 707 O LEU A 134 -35.899 13.171 84.918 1.00 18.48 O ATOM 708 CB LEU A 134 -39.061 13.356 85.135 1.00 16.30 C ATOM 709 CG LEU A 134 -40.263 14.210 85.547 1.00 17.94 C ATOM 710 CD1 LEU A 134 -41.171 14.471 84.366 1.00 21.18 C ATOM 711 CD2 LEU A 134 -41.002 13.515 86.692 1.00 14.22 C ATOM 712 H LEU A 134 -37.288 15.261 85.943 1.00 0.00 H ATOM 713 N GLU A 135 -36.709 11.197 85.619 1.00 15.70 N ATOM 714 CA GLU A 135 -35.802 10.408 84.813 1.00 13.51 C ATOM 715 C GLU A 135 -36.627 9.701 83.746 1.00 15.69 C ATOM 716 O GLU A 135 -37.651 9.073 84.049 1.00 14.01 O ATOM 717 CB GLU A 135 -35.033 9.392 85.650 1.00 17.56 C ATOM 718 CG GLU A 135 -34.179 8.488 84.768 1.00 24.15 C ATOM 719 CD GLU A 135 -33.447 7.444 85.563 1.00 43.66 C ATOM 720 OE1 GLU A 135 -32.501 7.815 86.287 1.00 48.14 O ATOM 721 OE2 GLU A 135 -33.829 6.259 85.474 1.00 51.36 O ATOM 722 H GLU A 135 -37.337 10.719 86.296 1.00 0.00 H ATOM 723 N CYS A 136 -36.193 9.832 82.502 1.00 15.96 N ATOM 724 CA CYS A 136 -36.917 9.293 81.365 1.00 15.94 C ATOM 725 C CYS A 136 -36.045 8.312 80.597 1.00 17.48 C ATOM 726 O CYS A 136 -34.822 8.452 80.594 1.00 14.47 O ATOM 727 CB CYS A 136 -37.374 10.416 80.435 1.00 16.12 C ATOM 728 SG CYS A 136 -38.496 11.625 81.180 1.00 20.91 S ATOM 729 H CYS A 136 -35.301 10.339 82.333 1.00 0.00 H ATOM 730 N VAL A 137 -36.671 7.314 79.969 1.00 11.32 N ATOM 731 CA VAL A 137 -35.943 6.291 79.204 1.00 11.20 C ATOM 732 C VAL A 137 -36.618 6.082 77.850 1.00 14.54 C ATOM 733 O VAL A 137 -37.851 5.972 77.771 1.00 13.81 O ATOM 734 CB VAL A 137 -35.898 4.935 79.929 1.00 12.56 C ATOM 735 CG1 VAL A 137 -35.083 3.913 79.100 1.00 16.44 C ATOM 736 CG2 VAL A 137 -35.327 5.083 81.329 1.00 25.31 C ATOM 737 H VAL A 137 -37.708 7.258 80.023 1.00 0.00 H ATOM 738 N CYS A 138 -35.823 6.026 76.785 1.00 15.24 N ATOM 739 CA CYS A 138 -36.374 5.827 75.447 1.00 12.41 C ATOM 740 C CYS A 138 -36.593 4.347 75.146 1.00 11.65 C ATOM 741 O CYS A 138 -35.638 3.567 75.127 1.00 16.16 O ATOM 742 CB CYS A 138 -35.450 6.441 74.393 1.00 13.11 C ATOM 743 SG CYS A 138 -36.090 6.191 72.682 1.00 14.99 S ATOM 744 H CYS A 138 -34.795 6.125 76.907 1.00 0.00 H ATOM 745 N LEU A 139 -37.848 3.969 74.890 1.00 11.62 N ATOM 746 CA LEU A 139 -38.208 2.573 74.669 1.00 15.14 C ATOM 747 C LEU A 139 -38.384 2.234 73.193 1.00 19.18 C ATOM 748 O LEU A 139 -38.092 1.117 72.776 1.00 19.72 O ATOM 749 CB LEU A 139 -39.497 2.221 75.410 1.00 11.96 C ATOM 750 CG LEU A 139 -39.534 2.415 76.921 1.00 16.68 C ATOM 751 CD1 LEU A 139 -40.825 1.820 77.436 1.00 18.57 C ATOM 752 CD2 LEU A 139 -38.352 1.723 77.566 1.00 19.02 C ATOM 753 H LEU A 139 -38.593 4.694 74.847 1.00 0.00 H ATOM 754 N GLY A 140 -38.883 3.187 72.412 1.00 15.16 N ATOM 755 CA GLY A 140 -39.138 2.952 71.000 1.00 17.87 C ATOM 756 C GLY A 140 -40.447 2.210 70.780 1.00 16.71 C ATOM 757 O GLY A 140 -41.482 2.827 70.553 1.00 13.88 O ATOM 758 H GLY A 140 -39.095 4.120 72.819 1.00 0.00 H ATOM 759 N ASN A 141 -40.389 0.882 70.846 1.00 17.39 N ATOM 760 CA ASN A 141 -41.549 0.018 70.610 1.00 19.79 C ATOM 761 C ASN A 141 -42.258 0.294 69.293 1.00 21.93 C ATOM 762 O ASN A 141 -43.473 0.129 69.193 1.00 19.81 O ATOM 763 CB ASN A 141 -42.548 0.145 71.770 1.00 21.72 C ATOM 764 CG ASN A 141 -41.973 -0.354 73.071 1.00 25.77 C ATOM 765 OD1 ASN A 141 -41.151 -1.270 73.073 1.00 27.31 O ATOM 766 ND2 ASN A 141 -42.379 0.256 74.183 1.00 25.92 N ATOM 767 HD22 ASN A 141 -43.076 1.026 74.129 1.00 0.00 H ATOM 768 HD21 ASN A 141 -41.999 -0.037 75.105 1.00 0.00 H ATOM 769 H ASN A 141 -39.478 0.437 71.076 1.00 0.00 H ATOM 770 N GLY A 142 -41.495 0.704 68.281 1.00 18.06 N ATOM 771 CA GLY A 142 -42.056 1.036 66.982 1.00 14.11 C ATOM 772 C GLY A 142 -42.965 2.252 66.963 1.00 18.01 C ATOM 773 O GLY A 142 -43.640 2.498 65.968 1.00 18.19 O ATOM 774 H GLY A 142 -40.468 0.789 68.425 1.00 0.00 H ATOM 775 N LYS A 143 -42.965 3.036 68.040 1.00 14.68 N ATOM 776 CA LYS A 143 -43.927 4.132 68.185 1.00 17.40 C ATOM 777 C LYS A 143 -43.295 5.433 68.667 1.00 14.90 C ATOM 778 O LYS A 143 -44.011 6.383 68.967 1.00 16.89 O ATOM 779 CB LYS A 143 -45.042 3.772 69.179 1.00 21.43 C ATOM 780 CG LYS A 143 -45.796 2.480 68.936 1.00 32.96 C ATOM 781 CD LYS A 143 -46.517 2.077 70.227 1.00 36.42 C ATOM 782 CE LYS A 143 -47.211 0.727 70.105 1.00 41.29 C ATOM 783 NZ LYS A 143 -47.867 0.345 71.396 1.00 39.84 N ATOM 784 HZ1 LYS A 143 -47.148 0.285 72.145 1.00 0.00 H ATOM 785 HZ2 LYS A 143 -48.575 1.064 71.650 1.00 0.00 H ATOM 786 HZ3 LYS A 143 -48.333 -0.578 71.287 1.00 0.00 H ATOM 787 H LYS A 143 -42.268 2.867 68.793 1.00 0.00 H ATOM 788 N GLY A 144 -41.969 5.477 68.772 1.00 15.16 N ATOM 789 CA GLY A 144 -41.305 6.681 69.241 1.00 11.44 C ATOM 790 C GLY A 144 -41.579 6.924 70.718 1.00 14.87 C ATOM 791 O GLY A 144 -41.586 8.062 71.178 1.00 16.04 O ATOM 792 H GLY A 144 -41.403 4.643 68.516 1.00 0.00 H ATOM 793 N GLU A 145 -41.796 5.837 71.453 1.00 13.58 N ATOM 794 CA GLU A 145 -42.382 5.883 72.787 1.00 15.18 C ATOM 795 C GLU A 145 -41.335 5.910 73.908 1.00 12.10 C ATOM 796 O GLU A 145 -40.316 5.213 73.826 1.00 13.88 O ATOM 797 CB GLU A 145 -43.296 4.671 72.953 1.00 18.37 C ATOM 798 CG GLU A 145 -43.909 4.512 74.308 1.00 29.19 C ATOM 799 CD GLU A 145 -45.016 3.473 74.284 1.00 39.76 C ATOM 800 OE1 GLU A 145 -44.731 2.303 73.937 1.00 25.14 O ATOM 801 OE2 GLU A 145 -46.170 3.838 74.595 1.00 45.96 O ATOM 802 H GLU A 145 -41.535 4.911 71.058 1.00 0.00 H ATOM 803 N TRP A 146 -41.584 6.712 74.947 1.00 11.81 N ATOM 804 CA TRP A 146 -40.679 6.761 76.103 1.00 13.25 C ATOM 805 C TRP A 146 -41.431 6.693 77.434 1.00 17.00 C ATOM 806 O TRP A 146 -42.672 6.797 77.477 1.00 13.75 O ATOM 807 CB TRP A 146 -39.812 8.030 76.064 1.00 11.94 C ATOM 808 CG TRP A 146 -40.576 9.289 76.279 1.00 15.73 C ATOM 809 CD1 TRP A 146 -40.867 9.886 77.480 1.00 18.77 C ATOM 810 CD2 TRP A 146 -41.173 10.112 75.272 1.00 12.20 C ATOM 811 NE1 TRP A 146 -41.600 11.026 77.274 1.00 15.37 N ATOM 812 CE2 TRP A 146 -41.799 11.186 75.924 1.00 20.84 C ATOM 813 CE3 TRP A 146 -41.227 10.041 73.875 1.00 12.68 C ATOM 814 CZ2 TRP A 146 -42.476 12.184 75.235 1.00 20.62 C ATOM 815 CZ3 TRP A 146 -41.893 11.036 73.192 1.00 15.83 C ATOM 816 CH2 TRP A 146 -42.508 12.094 73.872 1.00 22.21 C ATOM 817 HE1 TRP A 146 -41.948 11.665 78.017 1.00 0.00 H ATOM 818 H TRP A 146 -42.433 7.312 74.937 1.00 0.00 H ATOM 819 N THR A 147 -40.667 6.508 78.509 1.00 12.97 N ATOM 820 CA THR A 147 -41.234 6.472 79.846 1.00 14.13 C ATOM 821 C THR A 147 -40.510 7.461 80.770 1.00 15.68 C ATOM 822 O THR A 147 -39.342 7.751 80.575 1.00 16.96 O ATOM 823 CB THR A 147 -41.175 5.040 80.418 1.00 18.24 C ATOM 824 OG1 THR A 147 -41.773 5.015 81.709 1.00 17.62 O ATOM 825 CG2 THR A 147 -39.747 4.552 80.528 1.00 17.73 C ATOM 826 HG1 THR A 147 -41.733 4.095 82.072 1.00 0.00 H ATOM 827 H THR A 147 -39.641 6.387 78.389 1.00 0.00 H ATOM 828 N CYS A 148 -41.233 7.982 81.761 1.00 14.62 N ATOM 829 CA CYS A 148 -40.685 8.943 82.724 1.00 11.29 C ATOM 830 C CYS A 148 -41.190 8.589 84.104 1.00 12.68 C ATOM 831 O CYS A 148 -42.298 8.067 84.238 1.00 15.03 O ATOM 832 CB CYS A 148 -41.109 10.378 82.413 1.00 14.77 C ATOM 833 SG CYS A 148 -40.457 11.110 80.891 1.00 21.83 S ATOM 834 H CYS A 148 -42.228 7.695 81.855 1.00 0.00 H ATOM 835 N LYS A 149 -40.399 8.916 85.128 1.00 10.85 N ATOM 836 CA LYS A 149 -40.783 8.684 86.519 1.00 12.25 C ATOM 837 C LYS A 149 -40.120 9.738 87.396 1.00 14.21 C ATOM 838 O LYS A 149 -39.066 10.261 87.037 1.00 11.48 O ATOM 839 CB LYS A 149 -40.345 7.301 86.974 1.00 18.53 C ATOM 840 CG LYS A 149 -38.829 7.215 87.156 1.00 19.33 C ATOM 841 CD LYS A 149 -38.386 5.836 87.597 1.00 28.85 C ATOM 842 CE LYS A 149 -36.881 5.686 87.451 1.00 35.90 C ATOM 843 NZ LYS A 149 -36.407 4.366 87.951 1.00 43.28 N ATOM 844 HZ1 LYS A 149 -36.650 4.271 88.958 1.00 0.00 H ATOM 845 HZ2 LYS A 149 -36.866 3.606 87.409 1.00 0.00 H ATOM 846 HZ3 LYS A 149 -35.376 4.302 87.834 1.00 0.00 H ATOM 847 H LYS A 149 -39.476 9.352 84.929 1.00 0.00 H ATOM 848 N PRO A 150 -40.719 10.044 88.556 1.00 14.02 N ATOM 849 CA PRO A 150 -40.090 11.036 89.429 1.00 15.72 C ATOM 850 C PRO A 150 -38.830 10.482 90.106 1.00 21.60 C ATOM 851 O PRO A 150 -38.766 9.291 90.447 1.00 20.07 O ATOM 852 CB PRO A 150 -41.183 11.340 90.465 1.00 17.23 C ATOM 853 CG PRO A 150 -41.974 10.079 90.529 1.00 16.23 C ATOM 854 CD PRO A 150 -41.987 9.545 89.115 1.00 14.05 C ATOM 855 N ILE A 151 -37.833 11.348 90.278 1.00 20.08 N ATOM 856 CA ILE A 151 -36.629 11.007 91.033 1.00 20.81 C ATOM 857 C ILE A 151 -36.269 12.143 92.011 1.00 27.92 C ATOM 858 O ILE A 151 -36.906 13.205 92.047 1.00 21.33 O ATOM 859 CB ILE A 151 -35.428 10.721 90.100 1.00 20.91 C ATOM 860 CG1 ILE A 151 -35.160 11.916 89.182 1.00 21.91 C ATOM 861 CG2 ILE A 151 -35.666 9.474 89.275 1.00 19.82 C ATOM 862 CD1 ILE A 151 -33.753 11.924 88.614 1.00 29.53 C ATOM 863 OXT ILE A 151 -35.321 12.038 92.789 1.00 29.91 O ATOM 864 H ILE A 151 -37.914 12.298 89.862 1.00 0.00 H TER 865 ILE A 151 HETATM 866 O HOH 1 -36.035 5.890 64.279 1.00 19.13 O HETATM 867 O HOH 2 -38.265 16.345 70.820 1.00 23.94 O HETATM 868 O HOH 3 -34.144 3.445 58.046 1.00 16.17 O HETATM 869 O HOH 4 -31.980 2.655 79.569 1.00 26.03 O HETATM 870 O HOH 5 -38.827 1.154 68.329 1.00 19.66 O HETATM 871 O HOH 6 -40.071 9.963 67.296 1.00 15.84 O HETATM 872 O HOH 7 -31.336 15.008 88.464 1.00 27.55 O HETATM 873 O HOH 8 -33.031 13.665 48.509 1.00 29.49 O HETATM 874 O HOH 9 -40.295 2.405 60.884 1.00 20.53 O HETATM 875 O HOH 10 -27.855 9.075 80.431 1.00 25.12 O HETATM 876 O HOH 11 -45.819 16.668 91.844 1.00 35.60 O HETATM 877 O HOH 12 -35.020 20.162 76.341 1.00 27.74 O HETATM 878 O HOH 13 -31.148 15.832 71.235 1.00 36.78 O HETATM 879 O HOH 14 -40.036 6.843 90.761 1.00 18.30 O HETATM 880 O HOH 15 -25.002 0.319 45.945 1.00 31.12 O HETATM 881 O HOH 16 -33.926 3.057 63.231 1.00 23.36 O HETATM 882 O HOH 17 -33.472 2.130 60.658 1.00 25.43 O HETATM 883 O HOH 18 -27.668 9.079 43.750 1.00 28.03 O HETATM 884 O HOH 19 -27.560 18.874 56.962 1.00 26.40 O HETATM 885 O HOH 20 -30.558 4.352 59.874 1.00 29.26 O HETATM 886 O HOH 21 -36.673 2.936 57.484 1.00 27.79 O HETATM 887 O HOH 22 -31.652 5.201 66.285 1.00 25.02 O HETATM 888 O HOH 23 -29.421 14.061 78.304 1.00 26.20 O HETATM 889 O HOH 24 -30.990 1.707 60.379 1.00 30.73 O HETATM 890 O HOH 25 -33.206 15.091 46.006 1.00 33.59 O HETATM 891 O HOH 26 -25.261 9.577 60.045 1.00 36.24 O HETATM 892 O HOH 27 -38.458 17.659 68.195 1.00 23.85 O HETATM 893 O HOH 28 -25.777 12.408 58.519 1.00 34.71 O HETATM 894 O HOH 29 -28.643 18.179 69.456 1.00 42.82 O HETATM 895 O HOH 30 -28.899 11.553 77.712 1.00 30.90 O HETATM 896 O HOH 31 -34.396 9.620 93.538 1.00 33.41 O HETATM 897 O HOH 32 -32.003 9.426 46.062 1.00 22.74 O HETATM 898 O HOH 33 -35.813 20.515 47.728 1.00 38.08 O HETATM 899 O HOH 34 -33.355 17.996 80.078 1.00 32.14 O HETATM 900 O HOH 35 -24.311 10.964 56.249 1.00 28.37 O HETATM 901 O HOH 36 -39.019 -0.589 64.817 1.00 34.99 O HETATM 902 O HOH 37 -40.436 -3.627 71.570 1.00 42.18 O HETATM 903 O HOH 38 -38.720 -1.241 74.209 1.00 34.98 O HETATM 904 O HOH 39 -32.206 7.385 89.178 1.00 53.33 O HETATM 905 O HOH 40 -36.853 20.491 57.969 1.00 31.45 O HETATM 906 O HOH 41 -20.768 4.879 51.012 1.00 45.82 O HETATM 907 O HOH 42 -31.575 -0.243 58.198 1.00 29.99 O HETATM 908 O HOH 43 -33.501 4.729 88.175 1.00 42.47 O HETATM 909 O HOH 44 -29.029 5.740 61.573 1.00 40.80 O HETATM 910 O HOH 45 -23.462 14.093 47.358 1.00 39.17 O HETATM 911 O HOH 46 -38.026 -0.907 70.784 1.00 41.08 O HETATM 912 O HOH 47 -26.204 15.236 58.243 1.00 45.00 O HETATM 913 O HOH 48 -41.785 17.908 64.587 1.00 27.75 O HETATM 914 O HOH 49 -30.881 19.282 70.526 1.00 43.14 O HETATM 915 O HOH 50 -21.145 11.897 49.762 1.00 36.54 O HETATM 916 O HOH 51 -28.310 7.594 78.180 1.00 30.06 O HETATM 917 O HOH 52 -41.607 22.546 88.799 1.00 46.02 O HETATM 918 O HOH 53 -24.012 -0.503 52.363 1.00 38.55 O HETATM 919 O HOH 54 -28.278 4.854 78.318 1.00 33.69 O HETATM 920 O HOH 55 -21.806 8.788 52.346 1.00 44.13 O HETATM 921 O HOH 56 -26.706 4.134 76.301 1.00 42.23 O HETATM 922 O HOH 57 -42.248 12.762 70.069 1.00 16.29 O HETATM 923 O HOH 58 -32.617 4.037 68.653 1.00 22.08 O HETATM 924 O HOH 59 -31.007 3.872 42.832 1.00 33.08 O HETATM 925 O HOH 60 -28.799 3.853 74.158 1.00 31.61 O HETATM 926 O HOH 61 -45.316 -0.698 67.199 1.00 36.92 O HETATM 927 O HOH 62 -37.271 1.184 59.013 1.00 44.09 O HETATM 928 O HOH 63 -32.435 2.388 82.157 1.00 34.98 O HETATM 929 O HOH 64 -33.297 2.085 86.702 1.00 45.64 O HETATM 930 O HOH 65 -42.174 17.054 74.692 1.00 39.84 O HETATM 931 O HOH 66 -26.805 6.654 72.653 1.00 33.70 O HETATM 932 O HOH 67 -32.219 15.651 90.954 1.00 37.82 O HETATM 933 O HOH 68 -43.251 1.160 63.606 1.00 36.57 O HETATM 934 O HOH 69 -25.359 -0.089 56.976 1.00 45.05 O HETATM 935 O HOH 70 -27.994 9.600 71.958 1.00 49.72 O HETATM 936 O HOH 71 -37.237 6.371 83.972 1.00 27.92 O HETATM 937 O HOH 72 -46.296 -0.053 73.903 1.00 39.39 O HETATM 938 O HOH 73 -27.746 10.732 67.223 1.00 43.51 O HETATM 939 O HOH 74 -27.663 5.362 41.278 1.00 35.44 O HETATM 940 O HOH 75 -41.070 10.289 69.848 1.00 14.09 O HETATM 941 O HOH 76 -32.757 1.067 64.599 1.00 40.64 O HETATM 942 O HOH 77 -32.150 21.445 69.759 1.00 31.96 O HETATM 943 O HOH 78 -34.426 21.178 58.739 1.00 37.12 O HETATM 944 O HOH 79 -29.872 2.090 70.849 1.00 34.53 O HETATM 945 O HOH 80 -24.055 2.339 56.815 1.00 34.49 O HETATM 946 O HOH 81 -35.803 16.656 77.205 1.00 44.49 O HETATM 947 O HOH 82 -36.120 20.854 68.867 1.00 28.62 O HETATM 948 O HOH 83 -29.104 10.849 69.199 1.00 53.04 O HETATM 949 O HOH 84 -35.057 2.321 37.328 1.00 41.18 O HETATM 950 O HOH 85 -42.524 18.254 56.480 1.00 46.21 O HETATM 951 O HOH 86 -48.558 2.502 74.453 1.00 48.49 O HETATM 952 O HOH 87 -35.972 7.595 93.146 1.00 43.47 O HETATM 953 O HOH 88 -37.651 4.303 90.827 1.00 44.90 O HETATM 954 O HOH 89 -38.184 20.890 88.540 1.00 36.48 O HETATM 955 O HOH 90 -28.011 10.846 75.149 1.00 51.13 O HETATM 956 O HOH 91 -21.207 6.852 48.712 1.00 48.44 O HETATM 957 O HOH 92 -32.922 9.525 95.743 1.00 46.93 O HETATM 958 O HOH 93 -30.433 2.312 64.708 1.00 47.85 O HETATM 959 O HOH 94 -37.439 11.873 56.513 1.00 23.55 O HETATM 960 O HOH 95 -42.608 7.807 42.883 1.00 30.58 O HETATM 961 O HOH 96 -44.270 11.905 54.629 1.00 25.02 O HETATM 962 O HOH 97 -51.300 15.495 67.483 1.00 24.96 O HETATM 963 O HOH 98 -42.813 3.106 61.373 1.00 28.47 O HETATM 964 O HOH 99 -30.586 9.645 43.797 1.00 32.70 O HETATM 965 O HOH 100 -40.833 12.857 52.230 1.00 30.26 O HETATM 966 O HOH 101 -42.324 11.259 50.962 1.00 37.79 O HETATM 967 O HOH 102 -45.820 3.885 64.507 1.00 36.69 O HETATM 968 O HOH 103 -52.294 19.162 67.210 1.00 27.05 O HETATM 969 O HOH 104 -40.159 11.963 44.347 1.00 31.26 O HETATM 970 O HOH 105 -46.417 4.427 61.048 1.00 37.83 O HETATM 971 O HOH 106 -39.605 1.907 58.105 1.00 38.82 O HETATM 972 O HOH 107 -41.594 18.608 34.272 1.00 45.14 O HETATM 973 O HOH 108 -43.113 16.867 32.794 1.00 30.08 O HETATM 974 O HOH 109 -28.422 13.880 42.606 1.00 42.97 O HETATM 975 O HOH 110 -42.114 3.226 42.966 1.00 42.77 O HETATM 976 O HOH 111 -41.902 16.402 39.828 1.00 42.34 O HETATM 977 O HOH 112 -35.497 12.437 48.603 1.00 46.81 O HETATM 978 O HOH 113 -43.506 1.638 44.818 1.00 36.98 O HETATM 979 O HOH 114 -49.412 5.012 61.855 1.00 39.65 O HETATM 980 O HOH 115 -30.852 12.282 42.749 1.00 45.12 O HETATM 981 O HOH 116 -42.672 8.210 46.281 1.00 36.18 O HETATM 982 O HOH 117 -54.236 5.017 57.221 1.00 24.21 O HETATM 983 O HOH 118 -40.815 10.435 46.532 1.00 25.81 O HETATM 984 O HOH 119 -36.965 17.945 34.319 1.00 34.03 O HETATM 985 O HOH 120 -46.284 1.310 45.105 1.00 42.32 O HETATM 986 O HOH 121 -38.312 15.559 52.067 1.00 41.11 O HETATM 987 O HOH 122 -34.311 15.041 36.531 1.00 45.19 O HETATM 988 O HOH 123 -41.612 10.258 42.879 1.00 36.98 O HETATM 989 O HOH 124 -42.244 12.258 48.485 1.00 48.34 O HETATM 990 O HOH 125 -53.438 11.840 62.727 1.00 46.01 O HETATM 991 O HOH 126 -35.405 13.609 42.134 1.00 35.29 O HETATM 992 O HOH 127 -35.181 13.420 38.471 1.00 48.95 O HETATM 993 O HOH 128 -34.843 10.908 46.134 1.00 49.56 O HETATM 994 O HOH 129 -40.182 17.507 32.479 1.00 42.31 O HETATM 995 C ACE A 130 -50.750 17.679 64.505 1.00 0.18 C HETATM 996 O ACE A 130 -51.037 17.404 65.682 1.00 -0.40 O HETATM 997 CH3 ACE A 130 -50.623 19.098 64.023 1.00 0.03 C HETATM 998 H ACE A 130 -50.364 19.100 62.954 1.00 0.05 H HETATM 999 H ACE A 130 -49.833 19.609 64.593 1.00 0.05 H HETATM 1000 H ACE A 130 -51.579 19.622 64.170 1.00 0.05 H HETATM 1001 N ACE A 130 -50.175 16.785 63.712 1.00 -0.26 N HETATM 1002 CA ACE A 130 -50.272 15.378 64.041 1.00 0.15 C HETATM 1003 C ACE A 130 -49.090 14.583 63.489 1.00 0.21 C HETATM 1004 O ACE A 130 -48.531 14.922 62.445 1.00 -0.39 O HETATM 1005 N ACE A 130 -48.694 13.547 64.224 1.00 -0.26 N HETATM 1006 CA ACE A 130 -47.798 12.520 63.702 1.00 0.13 C HETATM 1007 C ACE A 130 -48.657 11.302 63.377 1.00 0.20 C HETATM 1008 O ACE A 130 -49.029 10.540 64.271 1.00 -0.39 O HETATM 1009 N ACE A 130 -49.013 11.142 62.107 1.00 -0.26 N HETATM 1010 CA ACE A 130 -49.922 10.074 61.701 1.00 0.15 C HETATM 1011 C ACE A 130 -49.169 8.787 61.357 1.00 0.21 C HETATM 1012 O ACE A 130 -49.703 7.693 61.509 1.00 -0.39 O HETATM 1013 N ACE A 130 -47.933 8.927 60.883 1.00 -0.26 N HETATM 1014 CA ACE A 130 -47.063 7.791 60.571 1.00 0.14 C HETATM 1015 C ACE A 130 -45.659 8.105 61.061 1.00 0.21 C HETATM 1016 O ACE A 130 -45.282 9.275 61.157 1.00 -0.39 O HETATM 1017 N ACE A 130 -44.874 7.072 61.353 1.00 -0.26 N HETATM 1018 CA ACE A 130 -43.534 7.286 61.886 1.00 0.16 C HETATM 1019 C ACE A 130 -42.429 7.049 60.849 1.00 0.21 C HETATM 1020 O ACE A 130 -41.251 6.955 61.206 1.00 -0.39 O HETATM 1021 N ACE A 130 -42.797 6.948 59.575 1.00 -0.26 N HETATM 1022 CA ACE A 130 -41.782 6.846 58.537 1.00 0.14 C HETATM 1023 C ACE A 130 -42.237 7.482 57.240 1.00 0.21 C HETATM 1024 O ACE A 130 -43.405 7.829 57.077 1.00 -0.39 O HETATM 1025 N ACE A 130 -41.303 7.648 56.315 1.00 -0.26 N HETATM 1026 CA ACE A 130 -41.668 8.083 54.987 1.00 0.13 C HETATM 1027 C ACE A 130 -40.669 7.511 54.003 1.00 0.20 C HETATM 1028 O ACE A 130 -39.577 7.078 54.383 1.00 -0.39 O HETATM 1029 N ACE A 130 -41.103 7.468 52.750 1.00 -0.26 N HETATM 1030 CA ACE A 130 -40.287 6.975 51.649 1.00 0.13 C HETATM 1031 C ACE A 130 -40.115 8.087 50.627 1.00 0.20 C HETATM 1032 O ACE A 130 -41.060 8.810 50.322 1.00 -0.39 O HETATM 1033 N ACE A 130 -38.899 8.237 50.118 1.00 -0.26 N HETATM 1034 CA ACE A 130 -38.648 9.196 49.047 1.00 0.13 C HETATM 1035 C ACE A 130 -37.892 8.507 47.925 1.00 0.20 C HETATM 1036 O ACE A 130 -37.084 7.614 48.172 1.00 -0.39 O HETATM 1037 N ACE A 130 -38.154 8.914 46.689 1.00 -0.26 N HETATM 1038 CA ACE A 130 -37.329 8.461 45.580 1.00 0.13 C HETATM 1039 C ACE A 130 -37.261 9.553 44.528 1.00 0.20 C HETATM 1040 O ACE A 130 -37.923 10.586 44.670 1.00 -0.39 O HETATM 1041 N ACE A 130 -36.455 9.333 43.490 1.00 -0.26 N HETATM 1042 CA ACE A 130 -36.255 10.343 42.447 1.00 0.13 C HETATM 1043 C ACE A 130 -37.583 10.740 41.806 1.00 0.20 C HETATM 1044 O ACE A 130 -38.430 9.873 41.569 1.00 -0.39 O HETATM 1045 N ACE A 130 -37.763 12.044 41.553 1.00 -0.26 N HETATM 1046 CA ACE A 130 -38.944 12.552 40.843 1.00 0.14 C HETATM 1047 C ACE A 130 -38.963 12.008 39.427 1.00 0.21 C HETATM 1048 O ACE A 130 -37.902 11.785 38.843 1.00 -0.39 O HETATM 1049 N ACE A 130 -40.155 11.831 38.863 1.00 -0.26 N HETATM 1050 CA ACE A 130 -40.282 11.307 37.501 1.00 0.14 C HETATM 1051 C ACE A 130 -39.574 12.232 36.512 1.00 0.21 C HETATM 1052 O ACE A 130 -39.127 11.808 35.443 1.00 -0.39 O HETATM 1053 N ACE A 130 -39.462 13.503 36.884 1.00 -0.27 N HETATM 1054 CA ACE A 130 -38.783 14.473 36.036 1.00 0.13 C HETATM 1055 C ACE A 130 -37.510 14.974 36.721 1.00 0.22 C HETATM 1056 O ACE A 130 -36.963 16.005 36.326 1.00 -0.41 O HETATM 1057 O1 ACE A 130 -37.021 14.332 37.689 1.00 -0.41 O HETATM 1058 CB ACE A 130 -39.720 15.642 35.693 1.00 0.04 C HETATM 1059 CG ACE A 130 -40.235 16.374 36.938 1.00 0.04 C HETATM 1060 OD1 ACE A 130 -40.006 15.887 38.069 1.00 -0.57 O HETATM 1061 OD2 ACE A 130 -40.880 17.435 36.787 1.00 -0.57 O HETATM 1062 H ACE A 130 -40.582 15.249 35.134 1.00 0.05 H HETATM 1063 H ACE A 130 -39.172 16.360 35.065 1.00 0.05 H HETATM 1064 H ACE A 130 -38.498 13.974 35.098 1.00 0.08 H HETATM 1065 H ACE A 130 -39.849 13.797 37.758 1.00 0.19 H HETATM 1066 CB ACE A 130 -41.754 11.135 37.121 1.00 0.02 C HETATM 1067 CG ACE A 130 -42.427 12.388 36.586 1.00 -0.05 C HETATM 1068 CD1 ACE A 130 -42.994 13.326 37.449 1.00 -0.07 C HETATM 1069 CE1 ACE A 130 -43.614 14.478 36.949 1.00 -0.04 C HETATM 1070 CZ ACE A 130 -43.673 14.685 35.579 1.00 0.08 C HETATM 1071 CE2 ACE A 130 -43.118 13.763 34.707 1.00 -0.04 C HETATM 1072 CD2 ACE A 130 -42.509 12.622 35.214 1.00 -0.07 C HETATM 1073 H ACE A 130 -42.088 11.897 34.527 1.00 0.05 H HETATM 1074 H ACE A 130 -43.159 13.931 33.637 1.00 0.05 H HETATM 1075 OH ACE A 130 -44.288 15.809 35.065 1.00 -0.34 O HETATM 1076 H ACE A 130 -43.659 16.309 34.558 1.00 0.25 H HETATM 1077 H ACE A 130 -44.045 15.204 37.629 1.00 0.05 H HETATM 1078 H ACE A 130 -42.954 13.161 38.520 1.00 0.05 H HETATM 1079 H ACE A 130 -42.302 10.809 38.017 1.00 0.05 H HETATM 1080 H ACE A 130 -41.819 10.356 36.347 1.00 0.05 H HETATM 1081 H ACE A 130 -39.798 10.320 37.462 1.00 0.08 H HETATM 1082 H ACE A 130 -40.980 12.060 39.379 1.00 0.19 H HETATM 1083 CB ACE A 130 -38.955 14.082 40.780 1.00 0.04 C HETATM 1084 CG ACE A 130 -39.069 14.728 42.138 1.00 0.04 C HETATM 1085 OD1 ACE A 130 -39.558 14.068 43.082 1.00 -0.57 O HETATM 1086 OD2 ACE A 130 -38.681 15.913 42.246 1.00 -0.57 O HETATM 1087 H ACE A 130 -39.811 14.401 40.167 1.00 0.05 H HETATM 1088 H ACE A 130 -38.020 14.420 40.309 1.00 0.05 H HETATM 1089 H ACE A 130 -39.846 12.212 41.374 1.00 0.08 H HETATM 1090 H ACE A 130 -37.068 12.695 41.859 1.00 0.19 H HETATM 1091 CB ACE A 130 -35.286 9.826 41.372 1.00 -0.00 C HETATM 1092 CG ACE A 130 -33.821 9.818 41.804 1.00 0.00 C HETATM 1093 CD ACE A 130 -32.921 9.068 40.839 1.00 0.04 C HETATM 1094 OE1 ACE A 130 -33.323 8.876 39.669 1.00 -0.57 O HETATM 1095 OE2 ACE A 130 -31.809 8.669 41.256 1.00 -0.57 O HETATM 1096 H ACE A 130 -33.750 9.341 42.792 1.00 0.04 H HETATM 1097 H ACE A 130 -33.471 10.858 41.873 1.00 0.04 H HETATM 1098 H ACE A 130 -35.381 10.468 40.484 1.00 0.03 H HETATM 1099 H ACE A 130 -35.575 8.797 41.113 1.00 0.03 H HETATM 1100 H ACE A 130 -35.814 11.237 42.913 1.00 0.08 H HETATM 1101 H ACE A 130 -35.975 8.458 43.421 1.00 0.19 H HETATM 1102 CB ACE A 130 -37.867 7.152 44.993 1.00 -0.00 C HETATM 1103 CG ACE A 130 -39.328 7.191 44.575 1.00 0.00 C HETATM 1104 CD ACE A 130 -39.873 5.805 44.261 1.00 0.04 C HETATM 1105 OE1 ACE A 130 -39.237 4.804 44.660 1.00 -0.57 O HETATM 1106 OE2 ACE A 130 -40.938 5.714 43.618 1.00 -0.57 O HETATM 1107 H ACE A 130 -39.423 7.821 43.678 1.00 0.04 H HETATM 1108 H ACE A 130 -39.919 7.627 45.394 1.00 0.04 H HETATM 1109 H ACE A 130 -37.749 6.364 45.751 1.00 0.03 H HETATM 1110 H ACE A 130 -37.265 6.902 44.107 1.00 0.03 H HETATM 1111 H ACE A 130 -36.312 8.275 45.955 1.00 0.08 H HETATM 1112 H ACE A 130 -38.920 9.534 46.520 1.00 0.19 H HETATM 1113 CB ACE A 130 -37.856 10.392 49.561 1.00 -0.00 C HETATM 1114 CG ACE A 130 -38.565 11.160 50.665 1.00 0.00 C HETATM 1115 CD ACE A 130 -37.733 12.312 51.195 1.00 0.04 C HETATM 1116 OE1 ACE A 130 -36.620 12.536 50.660 1.00 -0.57 O HETATM 1117 OE2 ACE A 130 -38.196 12.988 52.144 1.00 -0.57 O HETATM 1118 H ACE A 130 -38.780 10.469 51.494 1.00 0.04 H HETATM 1119 H ACE A 130 -39.509 11.560 50.267 1.00 0.04 H HETATM 1120 H ACE A 130 -37.676 11.078 48.720 1.00 0.03 H HETATM 1121 H ACE A 130 -36.893 10.030 49.952 1.00 0.03 H HETATM 1122 H ACE A 130 -39.613 9.555 48.659 1.00 0.08 H HETATM 1123 H ACE A 130 -38.144 7.685 50.473 1.00 0.19 H HETATM 1124 CB ACE A 130 -40.919 5.735 50.966 1.00 -0.00 C HETATM 1125 CG1 ACE A 130 -40.770 4.496 51.847 1.00 -0.05 C HETATM 1126 CD1 ACE A 130 -41.825 4.376 52.913 1.00 -0.06 C HETATM 1127 H ACE A 130 -41.649 3.463 53.502 1.00 0.02 H HETATM 1128 H ACE A 130 -42.818 4.323 52.442 1.00 0.02 H HETATM 1129 H ACE A 130 -41.779 5.253 53.575 1.00 0.02 H HETATM 1130 H ACE A 130 -39.786 4.535 52.337 1.00 0.03 H HETATM 1131 H ACE A 130 -40.824 3.605 51.204 1.00 0.03 H HETATM 1132 CG2 ACE A 130 -40.290 5.473 49.605 1.00 -0.06 C HETATM 1133 H ACE A 130 -40.399 6.367 48.973 1.00 0.02 H HETATM 1134 H ACE A 130 -40.795 4.621 49.126 1.00 0.02 H HETATM 1135 H ACE A 130 -39.222 5.242 49.733 1.00 0.02 H HETATM 1136 H ACE A 130 -41.991 5.933 50.821 1.00 0.03 H HETATM 1137 H ACE A 130 -39.300 6.691 52.043 1.00 0.08 H HETATM 1138 H ACE A 130 -42.030 7.788 52.553 1.00 0.19 H HETATM 1139 CB ACE A 130 -41.745 9.615 54.886 1.00 -0.00 C HETATM 1140 CG ACE A 130 -40.515 10.367 55.354 1.00 0.00 C HETATM 1141 CD ACE A 130 -40.683 11.888 55.288 1.00 0.04 C HETATM 1142 OE1 ACE A 130 -41.770 12.369 54.890 1.00 -0.57 O HETATM 1143 OE2 ACE A 130 -39.716 12.607 55.628 1.00 -0.57 O HETATM 1144 H ACE A 130 -39.665 10.080 54.717 1.00 0.04 H HETATM 1145 H ACE A 130 -40.305 10.082 56.396 1.00 0.04 H HETATM 1146 H ACE A 130 -42.598 9.951 55.493 1.00 0.03 H HETATM 1147 H ACE A 130 -41.920 9.876 53.832 1.00 0.03 H HETATM 1148 H ACE A 130 -42.663 7.679 54.749 1.00 0.08 H HETATM 1149 H ACE A 130 -40.344 7.472 56.537 1.00 0.19 H HETATM 1150 CB ACE A 130 -41.376 5.382 58.289 1.00 0.04 C HETATM 1151 CG ACE A 130 -42.561 4.467 57.986 1.00 0.04 C HETATM 1152 OD1 ACE A 130 -43.531 4.899 57.336 1.00 -0.57 O HETATM 1153 OD2 ACE A 130 -42.507 3.291 58.397 1.00 -0.57 O HETATM 1154 H ACE A 130 -40.865 5.005 59.187 1.00 0.05 H HETATM 1155 H ACE A 130 -40.685 5.352 57.434 1.00 0.05 H HETATM 1156 H ACE A 130 -40.892 7.390 58.887 1.00 0.08 H HETATM 1157 H ACE A 130 -43.767 6.942 59.331 1.00 0.19 H HETATM 1158 CB ACE A 130 -43.271 6.387 63.128 1.00 0.09 C HETATM 1159 OG1 ACE A 130 -43.695 5.047 62.852 1.00 -0.39 O HETATM 1160 H ACE A 130 -43.209 4.709 62.109 1.00 0.21 H HETATM 1161 CG2 ACE A 130 -44.044 6.907 64.340 1.00 -0.03 C HETATM 1162 H ACE A 130 -43.846 6.260 65.207 1.00 0.03 H HETATM 1163 H ACE A 130 -45.121 6.902 64.118 1.00 0.03 H HETATM 1164 H ACE A 130 -43.721 7.934 64.568 1.00 0.03 H HETATM 1165 H ACE A 130 -42.195 6.392 63.354 1.00 0.06 H HETATM 1166 H ACE A 130 -43.473 8.337 62.206 1.00 0.08 H HETATM 1167 H ACE A 130 -45.206 6.140 61.206 1.00 0.19 H HETATM 1168 CB ACE A 130 -47.027 7.501 59.056 1.00 0.02 C HETATM 1169 CG ACE A 130 -48.394 7.349 58.427 1.00 -0.05 C HETATM 1170 CD1 ACE A 130 -49.006 6.099 58.345 1.00 -0.07 C HETATM 1171 CE1 ACE A 130 -50.264 5.952 57.780 1.00 -0.04 C HETATM 1172 CZ ACE A 130 -50.923 7.061 57.289 1.00 0.08 C HETATM 1173 CE2 ACE A 130 -50.339 8.318 57.361 1.00 -0.04 C HETATM 1174 CD2 ACE A 130 -49.082 8.456 57.930 1.00 -0.07 C HETATM 1175 H ACE A 130 -48.627 9.438 57.989 1.00 0.05 H HETATM 1176 H ACE A 130 -50.862 9.186 56.975 1.00 0.05 H HETATM 1177 OH ACE A 130 -52.175 6.917 56.732 1.00 -0.34 O HETATM 1178 H ACE A 130 -52.429 6.002 56.759 1.00 0.25 H HETATM 1179 H ACE A 130 -50.726 4.973 57.724 1.00 0.05 H HETATM 1180 H ACE A 130 -48.490 5.227 58.730 1.00 0.05 H HETATM 1181 H ACE A 130 -46.467 6.568 58.895 1.00 0.05 H HETATM 1182 H ACE A 130 -46.507 8.332 58.557 1.00 0.05 H HETATM 1183 H ACE A 130 -47.440 6.899 61.093 1.00 0.08 H HETATM 1184 H ACE A 130 -47.582 9.851 60.733 1.00 0.19 H HETATM 1185 CB ACE A 130 -50.770 10.533 60.507 1.00 0.08 C HETATM 1186 OG ACE A 130 -51.399 11.780 60.782 1.00 -0.39 O HETATM 1187 H ACE A 130 -51.963 11.688 61.541 1.00 0.21 H HETATM 1188 H ACE A 130 -51.542 9.777 60.302 1.00 0.06 H HETATM 1189 H ACE A 130 -50.121 10.643 59.625 1.00 0.06 H HETATM 1190 H ACE A 130 -50.596 9.860 62.544 1.00 0.08 H HETATM 1191 H ACE A 130 -48.651 11.766 61.415 1.00 0.19 H HETATM 1192 CB ACE A 130 -46.680 12.143 64.710 1.00 -0.00 C HETATM 1193 CG1 ACE A 130 -45.801 13.356 65.037 1.00 -0.05 C HETATM 1194 CD1 ACE A 130 -44.949 13.836 63.881 1.00 -0.06 C HETATM 1195 H ACE A 130 -44.353 14.704 64.200 1.00 0.02 H HETATM 1196 H ACE A 130 -45.599 14.126 63.042 1.00 0.02 H HETATM 1197 H ACE A 130 -44.276 13.027 63.561 1.00 0.02 H HETATM 1198 H ACE A 130 -45.133 13.084 65.868 1.00 0.03 H HETATM 1199 H ACE A 130 -46.456 14.183 65.349 1.00 0.03 H HETATM 1200 CG2 ACE A 130 -45.827 11.001 64.163 1.00 -0.06 C HETATM 1201 H ACE A 130 -46.471 10.139 63.934 1.00 0.02 H HETATM 1202 H ACE A 130 -45.079 10.709 64.915 1.00 0.02 H HETATM 1203 H ACE A 130 -45.316 11.331 63.246 1.00 0.02 H HETATM 1204 H ACE A 130 -47.157 11.803 65.641 1.00 0.03 H HETATM 1205 H ACE A 130 -47.324 12.891 62.781 1.00 0.08 H HETATM 1206 H ACE A 130 -49.021 13.469 65.166 1.00 0.19 H HETATM 1207 CB ACE A 130 -51.590 14.808 63.510 1.00 0.08 C HETATM 1208 OG ACE A 130 -51.797 13.481 63.966 1.00 -0.39 O HETATM 1209 H ACE A 130 -52.620 13.154 63.622 1.00 0.21 H HETATM 1210 H ACE A 130 -51.564 14.809 62.410 1.00 0.06 H HETATM 1211 H ACE A 130 -52.420 15.440 63.858 1.00 0.06 H HETATM 1212 H ACE A 130 -50.267 15.281 65.137 1.00 0.08 H HETATM 1213 H ACE A 130 -49.679 17.079 62.895 1.00 0.19 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 37 36 325 CONECT 309 308 413 CONECT 325 37 324 CONECT 413 309 412 CONECT 472 471 743 CONECT 728 727 833 CONECT 743 472 742 CONECT 833 728 832 CONECT 995 996 997 1001 CONECT 996 995 CONECT 997 995 998 999 1000 CONECT 998 997 CONECT 999 997 CONECT 1000 997 CONECT 1001 995 1002 1213 CONECT 1002 1001 1003 1207 1212 CONECT 1003 1002 1004 1005 CONECT 1004 1003 CONECT 1005 1003 1006 1206 CONECT 1006 1005 1007 1192 1205 CONECT 1007 1006 1008 1009 CONECT 1008 1007 CONECT 1009 1007 1010 1191 CONECT 1010 1009 1011 1185 1190 CONECT 1011 1010 1012 1013 CONECT 1012 1011 CONECT 1013 1011 1014 1184 CONECT 1014 1013 1015 1168 1183 CONECT 1015 1014 1016 1017 CONECT 1016 1015 CONECT 1017 1015 1018 1167 CONECT 1018 1017 1019 1158 1166 CONECT 1019 1018 1020 1021 CONECT 1020 1019 CONECT 1021 1019 1022 1157 CONECT 1022 1021 1023 1150 1156 CONECT 1023 1022 1024 1025 CONECT 1024 1023 CONECT 1025 1023 1026 1149 CONECT 1026 1025 1027 1139 1148 CONECT 1027 1026 1028 1029 CONECT 1028 1027 CONECT 1029 1027 1030 1138 CONECT 1030 1029 1031 1124 1137 CONECT 1031 1030 1032 1033 CONECT 1032 1031 CONECT 1033 1031 1034 1123 CONECT 1034 1033 1035 1113 1122 CONECT 1035 1034 1036 1037 CONECT 1036 1035 CONECT 1037 1035 1038 1112 CONECT 1038 1037 1039 1102 1111 CONECT 1039 1038 1040 1041 CONECT 1040 1039 CONECT 1041 1039 1042 1101 CONECT 1042 1041 1043 1091 1100 CONECT 1043 1042 1044 1045 CONECT 1044 1043 CONECT 1045 1043 1046 1090 CONECT 1046 1045 1047 1083 1089 CONECT 1047 1046 1048 1049 CONECT 1048 1047 CONECT 1049 1047 1050 1082 CONECT 1050 1049 1051 1066 1081 CONECT 1051 1050 1052 1053 CONECT 1052 1051 CONECT 1053 1051 1054 1065 CONECT 1054 1053 1055 1058 1064 CONECT 1055 1054 1056 1057 CONECT 1056 1055 CONECT 1057 1055 CONECT 1058 1054 1059 1062 1063 CONECT 1059 1058 1060 1061 CONECT 1060 1059 CONECT 1061 1059 CONECT 1062 1058 CONECT 1063 1058 CONECT 1064 1054 CONECT 1065 1053 CONECT 1066 1050 1067 1079 1080 CONECT 1067 1066 1068 1072 CONECT 1068 1067 1069 1078 CONECT 1069 1068 1070 1077 CONECT 1070 1069 1071 1075 CONECT 1071 1070 1072 1074 CONECT 1072 1067 1071 1073 CONECT 1073 1072 CONECT 1074 1071 CONECT 1075 1070 1076 CONECT 1076 1075 CONECT 1077 1069 CONECT 1078 1068 CONECT 1079 1066 CONECT 1080 1066 CONECT 1081 1050 CONECT 1082 1049 CONECT 1083 1046 1084 1087 1088 CONECT 1084 1083 1085 1086 CONECT 1085 1084 CONECT 1086 1084 CONECT 1087 1083 CONECT 1088 1083 CONECT 1089 1046 CONECT 1090 1045 CONECT 1091 1042 1092 1098 1099 CONECT 1092 1091 1093 1096 1097 CONECT 1093 1092 1094 1095 CONECT 1094 1093 CONECT 1095 1093 CONECT 1096 1092 CONECT 1097 1092 CONECT 1098 1091 CONECT 1099 1091 CONECT 1100 1042 CONECT 1101 1041 CONECT 1102 1038 1103 1109 1110 CONECT 1103 1102 1104 1107 1108 CONECT 1104 1103 1105 1106 CONECT 1105 1104 CONECT 1106 1104 CONECT 1107 1103 CONECT 1108 1103 CONECT 1109 1102 CONECT 1110 1102 CONECT 1111 1038 CONECT 1112 1037 CONECT 1113 1034 1114 1120 1121 CONECT 1114 1113 1115 1118 1119 CONECT 1115 1114 1116 1117 CONECT 1116 1115 CONECT 1117 1115 CONECT 1118 1114 CONECT 1119 1114 CONECT 1120 1113 CONECT 1121 1113 CONECT 1122 1034 CONECT 1123 1033 CONECT 1124 1030 1125 1132 1136 CONECT 1125 1124 1126 1130 1131 CONECT 1126 1125 1127 1128 1129 CONECT 1127 1126 CONECT 1128 1126 CONECT 1129 1126 CONECT 1130 1125 CONECT 1131 1125 CONECT 1132 1124 1133 1134 1135 CONECT 1133 1132 CONECT 1134 1132 CONECT 1135 1132 CONECT 1136 1124 CONECT 1137 1030 CONECT 1138 1029 CONECT 1139 1026 1140 1146 1147 CONECT 1140 1139 1141 1144 1145 CONECT 1141 1140 1142 1143 CONECT 1142 1141 CONECT 1143 1141 CONECT 1144 1140 CONECT 1145 1140 CONECT 1146 1139 CONECT 1147 1139 CONECT 1148 1026 CONECT 1149 1025 CONECT 1150 1022 1151 1154 1155 CONECT 1151 1150 1152 1153 CONECT 1152 1151 CONECT 1153 1151 CONECT 1154 1150 CONECT 1155 1150 CONECT 1156 1022 CONECT 1157 1021 CONECT 1158 1018 1159 1161 1165 CONECT 1159 1158 1160 CONECT 1160 1159 CONECT 1161 1158 1162 1163 1164 CONECT 1162 1161 CONECT 1163 1161 CONECT 1164 1161 CONECT 1165 1158 CONECT 1166 1018 CONECT 1167 1017 CONECT 1168 1014 1169 1181 1182 CONECT 1169 1168 1170 1174 CONECT 1170 1169 1171 1180 CONECT 1171 1170 1172 1179 CONECT 1172 1171 1173 1177 CONECT 1173 1172 1174 1176 CONECT 1174 1169 1173 1175 CONECT 1175 1174 CONECT 1176 1173 CONECT 1177 1172 1178 CONECT 1178 1177 CONECT 1179 1171 CONECT 1180 1170 CONECT 1181 1168 CONECT 1182 1168 CONECT 1183 1014 CONECT 1184 1013 CONECT 1185 1010 1186 1188 1189 CONECT 1186 1185 1187 CONECT 1187 1186 CONECT 1188 1185 CONECT 1189 1185 CONECT 1190 1010 CONECT 1191 1009 CONECT 1192 1006 1193 1200 1204 CONECT 1193 1192 1194 1198 1199 CONECT 1194 1193 1195 1196 1197 CONECT 1195 1194 CONECT 1196 1194 CONECT 1197 1194 CONECT 1198 1193 CONECT 1199 1193 CONECT 1200 1192 1201 1202 1203 CONECT 1201 1200 CONECT 1202 1200 CONECT 1203 1200 CONECT 1204 1192 CONECT 1205 1006 CONECT 1206 1005 CONECT 1207 1002 1208 1210 1211 CONECT 1208 1207 1209 CONECT 1209 1208 CONECT 1210 1207 CONECT 1211 1207 CONECT 1212 1002 CONECT 1213 1001 MASTER 0 0 0 0 0 0 0 0 1212 1 231 7 END
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16-mer
5eta
RCSB PDB
PDBbind
16-mer
5hhx
RCSB PDB
PDBbind
16-mer
5iay
RCSB PDB
PDBbind
16-mer
5icx
RCSB PDB
PDBbind
16-mer
5iy4
RCSB PDB
PDBbind
16-mer
5klr
RCSB PDB
PDBbind
16-mer
5klt
RCSB PDB
PDBbind
16-mer
5lvf
RCSB PDB
PDBbind
16-mer
5ly3
RCSB PDB
PDBbind
16-mer
5m9d
RCSB PDB
PDBbind
16-mer
5myk
RCSB PDB
PDBbind
16-mer
5myx
RCSB PDB
PDBbind
16-mer
5nin
RCSB PDB
PDBbind
16-mer
5njx
RCSB PDB
PDBbind
16-mer
5o4y
RCSB PDB
PDBbind
16-mer
5u2j
RCSB PDB
PDBbind
16-mer
5v1y
RCSB PDB
PDBbind
16-mer
5v6y
RCSB PDB
PDBbind
16-mer
5wa4
RCSB PDB
PDBbind
16-mer
5wbl
RCSB PDB
PDBbind
16-mer
5wqd
RCSB PDB
PDBbind
16-mer
5y7w
RCSB PDB
PDBbind
16-mer
6bhi
RCSB PDB
PDBbind
16-mer
6g84
RCSB PDB
PDBbind
16-mer
6g85
RCSB PDB
PDBbind
16-mer
6g86
RCSB PDB
PDBbind
16-mer
6h0b
RCSB PDB
PDBbind
16-mer
6qsz
RCSB PDB
PDBbind
16-mer
6pi7
RCSB PDB
PDBbind
16-mer
6me1
RCSB PDB
PDBbind
16-mer
6d08
RCSB PDB
PDBbind
16-mer
6d07
RCSB PDB
PDBbind
16-mer
5zml
RCSB PDB
PDBbind
16-mer
5w4e
RCSB PDB
PDBbind
16-mer
6tyz
RCSB PDB
PDBbind
16-mer
Entry Information
PDB ID
4pz5
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Fibronectin
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
1.96(Å)
Affinity (Kd/Ki/IC50)
Kd=121nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Biol.Chem. Vol. 289: pp. 22490-22499
Ligand Properties
Formula
C
7
4
H
1
0
4
N
1
4
O
3
5
Molecular Weight
1749.690
Exact Mass
1748.680
No. of atoms
227
No. of bonds
228
Polar Surface Area
806.95
LOGP Value
4.96 (
Computed with XLOGP3
)
-2.41 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 19
No. of Hydrogen Bond Acceptors: 35
No. of Rotatable Bonds: 68
No. of Nitrogen and Oxygen Atoms: 49
No. of Rings: 2
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)Cc1ccc(cc1)O)CC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)C)CO)CO)Cc1ccc(cc1)O)CC(=O)O)CCC(=O)O)C
InChI String
InChI=1S/C74H104N14O35/c1-7-32(3)58(71(119)79-42(19-23-53(99)100)62(110)76-40(17-21-51(95)96)61(109)77-41(18-22-52(97)98)63(111)82-46(27-55(103)104)67(115)80-44(25-36-9-13-38(93)14-10-36)65(113)84-48(74(122)123)29-57(107)108)86-64(112)43(20-24-54(101)102)78-66(114)47(28-56(105)106)83-73(121)60(34(5)91)88-68(116)45(26-37-11-15-39(94)16-12-37)81-69(117)50(31-90)85-72(120)59(33(4)8-2)87-70(118)49(30-89)75-35(6)92/h9-16,32-34,40-50,58-60,89-91,93-94H,7-8,17-31H2,1-6H3,(H,75,92)(H,76,110)(H,77,109)(H,78,114)(H,79,119)(H,80,115)(H,81,117)(H,82,111)(H,83,121)(H,84,113)(H,85,120)(H,86,112)(H,87,118)(H,88,116)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H,122,123)/t32-,33-,34+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,58-,59-,60-/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):
O50835
P02751
Entrez Gene ID
NCBI Entrez Gene ID:
2335
ASD
Information of known allosteric effects of PDB entries
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