Browse entries in the PDBbind-CN Database
HEADER 1PRM_COMPLEX COMPND 1PRM_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 C 56 THR PHE VAL ALA LEU TYR ASP TYR GLU SER ARG THR GLU SEQRES 2 C 56 THR ASP LEU SER PHE LYS LYS GLY GLU ARG LEU GLN ILE SEQRES 3 C 56 VAL ASN ASN THR GLU GLY ASP TRP TRP LEU ALA HIS SER SEQRES 4 C 56 LEU THR THR GLY GLN THR GLY TYR ILE PRO SER ASN TYR SEQRES 5 C 56 VAL ALA PRO SER HET ALA A 57 152 ATOM 1 N THR C 9 13.465 29.044 -8.531 1.00 1.27 N ATOM 2 CA THR C 9 14.057 28.920 -7.169 1.00 0.75 C ATOM 3 C THR C 9 13.119 28.109 -6.274 1.00 0.62 C ATOM 4 O THR C 9 11.955 28.428 -6.127 1.00 0.77 O ATOM 5 CB THR C 9 14.254 30.313 -6.567 1.00 1.12 C ATOM 6 OG1 THR C 9 14.212 31.286 -7.606 1.00 1.40 O ATOM 7 CG2 THR C 9 15.605 30.373 -5.850 1.00 1.62 C ATOM 8 HA THR C 9 15.020 28.414 -7.240 1.00 0.00 H ATOM 9 HB THR C 9 13.460 30.519 -5.849 1.00 0.00 H ATOM 10 HG1 THR C 9 14.339 32.188 -7.218 1.00 0.00 H ATOM 11 HG23 THR C 9 15.628 29.625 -5.057 1.00 0.00 H ATOM 12 HG21 THR C 9 16.403 30.171 -6.564 1.00 0.00 H ATOM 13 HG22 THR C 9 15.743 31.365 -5.420 1.00 0.00 H ATOM 14 HN3 THR C 9 12.546 29.526 -8.466 1.00 0.00 H ATOM 15 HN2 THR C 9 13.332 28.096 -8.938 1.00 0.00 H ATOM 16 HN1 THR C 9 14.105 29.596 -9.137 1.00 0.00 H ATOM 17 N PHE C 10 13.613 27.060 -5.676 1.00 0.47 N ATOM 18 CA PHE C 10 12.749 26.231 -4.790 1.00 0.38 C ATOM 19 C PHE C 10 13.217 26.384 -3.342 1.00 0.37 C ATOM 20 O PHE C 10 14.292 26.885 -3.078 1.00 0.49 O ATOM 21 CB PHE C 10 12.846 24.762 -5.208 1.00 0.39 C ATOM 22 CG PHE C 10 11.759 24.453 -6.240 1.00 0.40 C ATOM 23 CD1 PHE C 10 11.436 25.379 -7.214 1.00 1.18 C ATOM 24 CD2 PHE C 10 11.089 23.242 -6.214 1.00 1.07 C ATOM 25 CE1 PHE C 10 10.460 25.101 -8.148 1.00 1.25 C ATOM 26 CE2 PHE C 10 10.112 22.964 -7.149 1.00 1.05 C ATOM 27 CZ PHE C 10 9.798 23.894 -8.116 1.00 0.54 C ATOM 28 HA PHE C 10 11.714 26.562 -4.876 1.00 0.00 H ATOM 29 HB2 PHE C 10 13.827 24.572 -5.644 1.00 0.00 H ATOM 30 HB3 PHE C 10 12.709 24.125 -4.334 1.00 0.00 H ATOM 31 HD2 PHE C 10 11.334 22.503 -5.451 1.00 0.00 H ATOM 32 HE2 PHE C 10 9.589 22.008 -7.122 1.00 0.00 H ATOM 33 HZ PHE C 10 9.027 23.675 -8.854 1.00 0.00 H ATOM 34 HE1 PHE C 10 10.212 25.838 -8.912 1.00 0.00 H ATOM 35 HD1 PHE C 10 11.957 26.336 -7.244 1.00 0.00 H ATOM 36 H PHE C 10 14.611 26.802 -5.818 1.00 0.00 H ATOM 37 N VAL C 11 12.422 25.953 -2.401 1.00 0.36 N ATOM 38 CA VAL C 11 12.827 26.077 -0.972 1.00 0.41 C ATOM 39 C VAL C 11 12.726 24.710 -0.293 1.00 0.38 C ATOM 40 O VAL C 11 11.865 23.912 -0.607 1.00 0.39 O ATOM 41 CB VAL C 11 11.906 27.073 -0.264 1.00 0.47 C ATOM 42 CG1 VAL C 11 12.500 27.436 1.098 1.00 0.58 C ATOM 43 CG2 VAL C 11 11.773 28.338 -1.114 1.00 0.63 C ATOM 44 HA VAL C 11 13.855 26.434 -0.915 1.00 0.00 H ATOM 45 HB VAL C 11 10.923 26.623 -0.125 1.00 0.00 H ATOM 46 HG11 VAL C 11 12.596 26.534 1.703 1.00 0.00 H ATOM 47 HG12 VAL C 11 13.483 27.886 0.956 1.00 0.00 H ATOM 48 HG13 VAL C 11 11.844 28.145 1.602 1.00 0.00 H ATOM 49 HG21 VAL C 11 12.757 28.787 -1.252 1.00 0.00 H ATOM 50 HG22 VAL C 11 11.351 28.079 -2.085 1.00 0.00 H ATOM 51 HG23 VAL C 11 11.117 29.047 -0.609 1.00 0.00 H ATOM 52 H VAL C 11 11.507 25.524 -2.648 1.00 0.00 H ATOM 53 N ALA C 12 13.598 24.435 0.637 1.00 0.50 N ATOM 54 CA ALA C 12 13.553 23.119 1.335 1.00 0.48 C ATOM 55 C ALA C 12 12.456 23.127 2.404 1.00 0.47 C ATOM 56 O ALA C 12 12.571 23.777 3.424 1.00 0.65 O ATOM 57 CB ALA C 12 14.906 22.849 1.996 1.00 0.58 C ATOM 58 HA ALA C 12 13.335 22.337 0.608 1.00 0.00 H ATOM 59 HB1 ALA C 12 15.684 22.831 1.233 1.00 0.00 H ATOM 60 HB2 ALA C 12 15.120 23.638 2.717 1.00 0.00 H ATOM 61 HB3 ALA C 12 14.874 21.887 2.507 1.00 0.00 H ATOM 62 H ALA C 12 14.325 25.134 0.892 1.00 0.00 H ATOM 63 N LEU C 13 11.391 22.407 2.174 1.00 0.43 N ATOM 64 CA LEU C 13 10.282 22.362 3.167 1.00 0.53 C ATOM 65 C LEU C 13 10.723 21.527 4.367 1.00 0.58 C ATOM 66 O LEU C 13 10.229 21.686 5.465 1.00 0.92 O ATOM 67 CB LEU C 13 9.055 21.706 2.532 1.00 0.59 C ATOM 68 CG LEU C 13 8.437 22.651 1.501 1.00 0.53 C ATOM 69 CD1 LEU C 13 7.075 22.104 1.073 1.00 0.67 C ATOM 70 CD2 LEU C 13 8.260 24.040 2.118 1.00 0.75 C ATOM 71 HA LEU C 13 10.034 23.375 3.484 1.00 0.00 H ATOM 72 HB2 LEU C 13 9.353 20.780 2.041 1.00 0.00 H ATOM 73 HB3 LEU C 13 8.321 21.485 3.307 1.00 0.00 H ATOM 74 HG LEU C 13 9.092 22.725 0.633 1.00 0.00 H ATOM 75 HD21 LEU C 13 7.603 23.970 2.985 1.00 0.00 H ATOM 76 HD22 LEU C 13 9.232 24.426 2.427 1.00 0.00 H ATOM 77 HD23 LEU C 13 7.819 24.710 1.380 1.00 0.00 H ATOM 78 HD11 LEU C 13 7.204 21.115 0.633 1.00 0.00 H ATOM 79 HD12 LEU C 13 6.423 22.034 1.944 1.00 0.00 H ATOM 80 HD13 LEU C 13 6.630 22.775 0.338 1.00 0.00 H ATOM 81 H LEU C 13 11.317 21.861 1.292 1.00 0.00 H ATOM 82 N TYR C 14 11.655 20.637 4.163 1.00 0.45 N ATOM 83 CA TYR C 14 12.133 19.787 5.287 1.00 0.52 C ATOM 84 C TYR C 14 13.652 19.630 5.205 1.00 0.48 C ATOM 85 O TYR C 14 14.241 19.757 4.150 1.00 0.55 O ATOM 86 CB TYR C 14 11.467 18.422 5.182 1.00 0.61 C ATOM 87 CG TYR C 14 9.956 18.625 5.134 1.00 0.55 C ATOM 88 CD1 TYR C 14 9.342 19.042 3.973 1.00 1.17 C ATOM 89 CD2 TYR C 14 9.191 18.411 6.256 1.00 1.31 C ATOM 90 CE1 TYR C 14 7.979 19.240 3.934 1.00 1.23 C ATOM 91 CE2 TYR C 14 7.825 18.606 6.221 1.00 1.35 C ATOM 92 CZ TYR C 14 7.208 19.023 5.058 1.00 0.73 C ATOM 93 OH TYR C 14 5.843 19.219 5.021 1.00 0.91 O ATOM 94 HA TYR C 14 11.878 20.251 6.240 1.00 0.00 H ATOM 95 HB3 TYR C 14 11.730 17.816 6.049 1.00 0.00 H ATOM 96 HB2 TYR C 14 11.800 17.919 4.274 1.00 0.00 H ATOM 97 HD2 TYR C 14 9.667 18.085 7.181 1.00 0.00 H ATOM 98 HE2 TYR C 14 7.230 18.430 7.117 1.00 0.00 H ATOM 99 HE1 TYR C 14 7.506 19.570 3.009 1.00 0.00 H ATOM 100 HD1 TYR C 14 9.939 19.217 3.078 1.00 0.00 H ATOM 101 HH TYR C 14 5.578 19.515 4.114 1.00 0.00 H ATOM 102 H TYR C 14 12.064 20.522 3.214 1.00 0.00 H ATOM 103 N ASP C 15 14.292 19.355 6.308 1.00 0.47 N ATOM 104 CA ASP C 15 15.771 19.191 6.288 1.00 0.50 C ATOM 105 C ASP C 15 16.125 17.840 5.662 1.00 0.49 C ATOM 106 O ASP C 15 16.134 16.820 6.322 1.00 0.88 O ATOM 107 CB ASP C 15 16.314 19.251 7.718 1.00 0.62 C ATOM 108 CG ASP C 15 15.376 18.494 8.661 1.00 1.26 C ATOM 109 OD1 ASP C 15 15.021 17.372 8.338 1.00 2.02 O ATOM 110 OD2 ASP C 15 15.028 19.049 9.691 1.00 1.94 O ATOM 111 HA ASP C 15 16.217 19.993 5.699 1.00 0.00 H ATOM 112 HB2 ASP C 15 17.304 18.795 7.749 1.00 0.00 H ATOM 113 HB3 ASP C 15 16.384 20.291 8.035 1.00 0.00 H ATOM 114 H ASP C 15 13.769 19.250 7.201 1.00 0.00 H ATOM 115 N TYR C 16 16.416 17.827 4.390 1.00 0.48 N ATOM 116 CA TYR C 16 16.769 16.547 3.714 1.00 0.42 C ATOM 117 C TYR C 16 18.125 16.056 4.227 1.00 0.44 C ATOM 118 O TYR C 16 19.135 16.713 4.066 1.00 0.45 O ATOM 119 CB TYR C 16 16.843 16.780 2.205 1.00 0.41 C ATOM 120 CG TYR C 16 17.388 15.530 1.513 1.00 0.38 C ATOM 121 CD1 TYR C 16 17.078 14.272 1.988 1.00 1.23 C ATOM 122 CD2 TYR C 16 18.194 15.643 0.399 1.00 1.09 C ATOM 123 CE1 TYR C 16 17.567 13.145 1.358 1.00 1.25 C ATOM 124 CE2 TYR C 16 18.682 14.517 -0.231 1.00 1.09 C ATOM 125 CZ TYR C 16 18.373 13.259 0.243 1.00 0.44 C ATOM 126 OH TYR C 16 18.862 12.133 -0.386 1.00 0.50 O ATOM 127 HA TYR C 16 16.010 15.795 3.930 1.00 0.00 H ATOM 128 HB3 TYR C 16 17.503 17.623 2.001 1.00 0.00 H ATOM 129 HB2 TYR C 16 15.846 16.999 1.823 1.00 0.00 H ATOM 130 HD2 TYR C 16 18.447 16.631 0.013 1.00 0.00 H ATOM 131 HE2 TYR C 16 19.317 14.622 -1.111 1.00 0.00 H ATOM 132 HE1 TYR C 16 17.315 12.157 1.744 1.00 0.00 H ATOM 133 HD1 TYR C 16 16.442 14.167 2.867 1.00 0.00 H ATOM 134 HH TYR C 16 18.540 11.326 0.088 1.00 0.00 H ATOM 135 H TYR C 16 16.401 18.713 3.846 1.00 0.00 H ATOM 136 N GLU C 17 18.155 14.905 4.842 1.00 0.57 N ATOM 137 CA GLU C 17 19.445 14.372 5.365 1.00 0.64 C ATOM 138 C GLU C 17 19.916 13.211 4.485 1.00 0.69 C ATOM 139 O GLU C 17 19.798 12.058 4.849 1.00 0.85 O ATOM 140 CB GLU C 17 19.244 13.876 6.798 1.00 0.80 C ATOM 141 CG GLU C 17 20.567 13.965 7.561 1.00 1.57 C ATOM 142 CD GLU C 17 20.292 13.902 9.065 1.00 2.00 C ATOM 143 OE1 GLU C 17 19.726 14.850 9.584 1.00 2.32 O ATOM 144 OE2 GLU C 17 20.651 12.907 9.672 1.00 2.65 O ATOM 145 HA GLU C 17 20.196 15.162 5.353 1.00 0.00 H ATOM 146 HB2 GLU C 17 18.496 14.494 7.295 1.00 0.00 H ATOM 147 HB3 GLU C 17 18.904 12.840 6.780 1.00 0.00 H ATOM 148 HG2 GLU C 17 21.210 13.133 7.273 1.00 0.00 H ATOM 149 HG3 GLU C 17 21.063 14.905 7.321 1.00 0.00 H ATOM 150 H GLU C 17 17.278 14.360 4.967 1.00 0.00 H ATOM 151 N SER C 18 20.451 13.505 3.332 1.00 0.67 N ATOM 152 CA SER C 18 20.929 12.418 2.433 1.00 0.79 C ATOM 153 C SER C 18 21.852 11.480 3.214 1.00 0.87 C ATOM 154 O SER C 18 22.320 11.805 4.286 1.00 0.91 O ATOM 155 CB SER C 18 21.697 13.029 1.260 1.00 0.85 C ATOM 156 OG SER C 18 23.064 13.176 1.615 1.00 1.64 O ATOM 157 HA SER C 18 20.075 11.856 2.055 1.00 0.00 H ATOM 158 HB2 SER C 18 21.277 14.005 1.019 1.00 0.00 H ATOM 159 HB3 SER C 18 21.615 12.375 0.392 1.00 0.00 H ATOM 160 HG SER C 18 23.560 13.572 0.855 1.00 0.00 H ATOM 161 H SER C 18 20.544 14.499 3.040 1.00 0.00 H ATOM 162 N ARG C 19 22.116 10.316 2.684 1.00 1.10 N ATOM 163 CA ARG C 19 23.009 9.359 3.399 1.00 1.28 C ATOM 164 C ARG C 19 24.138 8.903 2.468 1.00 1.36 C ATOM 165 O ARG C 19 25.114 8.323 2.903 1.00 1.55 O ATOM 166 CB ARG C 19 22.196 8.143 3.845 1.00 1.53 C ATOM 167 CG ARG C 19 21.277 8.541 5.000 1.00 1.73 C ATOM 168 CD ARG C 19 19.928 7.833 4.847 1.00 2.17 C ATOM 169 NE ARG C 19 19.763 6.837 5.945 1.00 2.77 N ATOM 170 CZ ARG C 19 18.875 5.885 5.839 1.00 3.29 C ATOM 171 NH1 ARG C 19 18.130 5.798 4.770 1.00 3.48 N ATOM 172 NH2 ARG C 19 18.733 5.017 6.802 1.00 4.07 N ATOM 173 HA ARG C 19 23.440 9.853 4.270 1.00 0.00 H ATOM 174 HB2 ARG C 19 21.595 7.781 3.010 1.00 0.00 H ATOM 175 HB3 ARG C 19 22.872 7.354 4.174 1.00 0.00 H ATOM 176 HG2 ARG C 19 21.735 8.251 5.946 1.00 0.00 H ATOM 177 HG3 ARG C 19 21.125 9.620 4.988 1.00 0.00 H ATOM 178 HD2 ARG C 19 19.892 7.323 3.884 1.00 0.00 H ATOM 179 HD3 ARG C 19 19.124 8.567 4.898 1.00 0.00 H ATOM 180 HE ARG C 19 20.356 6.901 6.797 1.00 0.00 H ATOM 181 HH12 ARG C 19 17.424 5.039 4.689 1.00 0.00 H ATOM 182 HH11 ARG C 19 18.243 6.488 4.000 1.00 0.00 H ATOM 183 HH22 ARG C 19 18.026 4.259 6.718 1.00 0.00 H ATOM 184 HH21 ARG C 19 19.327 5.083 7.653 1.00 0.00 H ATOM 185 H ARG C 19 21.704 10.057 1.765 1.00 0.00 H ATOM 186 N THR C 20 24.019 9.158 1.191 1.00 1.35 N ATOM 187 CA THR C 20 25.090 8.735 0.244 1.00 1.49 C ATOM 188 C THR C 20 25.824 9.968 -0.285 1.00 1.33 C ATOM 189 O THR C 20 25.441 11.091 -0.022 1.00 1.20 O ATOM 190 CB THR C 20 24.470 7.970 -0.930 1.00 1.65 C ATOM 191 OG1 THR C 20 25.271 8.155 -2.088 1.00 2.25 O ATOM 192 CG2 THR C 20 23.057 8.494 -1.197 1.00 1.92 C ATOM 193 HA THR C 20 25.794 8.088 0.766 1.00 0.00 H ATOM 194 HB THR C 20 24.420 6.909 -0.686 1.00 0.00 H ATOM 195 HG1 THR C 20 24.871 7.661 -2.847 1.00 0.00 H ATOM 196 HG23 THR C 20 22.444 8.351 -0.307 1.00 0.00 H ATOM 197 HG21 THR C 20 23.104 9.555 -1.441 1.00 0.00 H ATOM 198 HG22 THR C 20 22.620 7.947 -2.033 1.00 0.00 H ATOM 199 H THR C 20 23.178 9.656 0.836 1.00 0.00 H ATOM 200 N GLU C 21 26.877 9.767 -1.028 1.00 1.48 N ATOM 201 CA GLU C 21 27.637 10.925 -1.575 1.00 1.55 C ATOM 202 C GLU C 21 27.066 11.307 -2.942 1.00 1.44 C ATOM 203 O GLU C 21 27.736 11.901 -3.762 1.00 1.99 O ATOM 204 CB GLU C 21 29.109 10.537 -1.728 1.00 1.88 C ATOM 205 CG GLU C 21 29.857 10.835 -0.427 1.00 2.49 C ATOM 206 CD GLU C 21 31.012 9.845 -0.266 1.00 3.07 C ATOM 207 OE1 GLU C 21 31.870 9.820 -1.133 1.00 3.71 O ATOM 208 OE2 GLU C 21 31.018 9.128 0.722 1.00 3.37 O ATOM 209 HA GLU C 21 27.552 11.773 -0.896 1.00 0.00 H ATOM 210 HB2 GLU C 21 29.182 9.473 -1.953 1.00 0.00 H ATOM 211 HB3 GLU C 21 29.553 11.111 -2.541 1.00 0.00 H ATOM 212 HG2 GLU C 21 30.250 11.851 -0.458 1.00 0.00 H ATOM 213 HG3 GLU C 21 29.173 10.737 0.416 1.00 0.00 H ATOM 214 H GLU C 21 27.186 8.797 -1.239 1.00 0.00 H ATOM 215 N THR C 22 25.830 10.969 -3.193 1.00 1.11 N ATOM 216 CA THR C 22 25.216 11.313 -4.506 1.00 1.10 C ATOM 217 C THR C 22 24.280 12.511 -4.335 1.00 0.91 C ATOM 218 O THR C 22 24.262 13.418 -5.142 1.00 1.20 O ATOM 219 CB THR C 22 24.416 10.114 -5.022 1.00 1.28 C ATOM 220 OG1 THR C 22 25.177 8.928 -4.843 1.00 1.78 O ATOM 221 CG2 THR C 22 24.104 10.307 -6.507 1.00 1.66 C ATOM 222 HA THR C 22 26.001 11.564 -5.219 1.00 0.00 H ATOM 223 HB THR C 22 23.482 10.033 -4.467 1.00 0.00 H ATOM 224 HG1 THR C 22 25.374 8.806 -3.881 1.00 0.00 H ATOM 225 HG23 THR C 22 23.520 11.218 -6.639 1.00 0.00 H ATOM 226 HG21 THR C 22 25.037 10.388 -7.065 1.00 0.00 H ATOM 227 HG22 THR C 22 23.534 9.452 -6.871 1.00 0.00 H ATOM 228 H THR C 22 25.274 10.460 -2.476 1.00 0.00 H ATOM 229 N ASP C 23 23.505 12.521 -3.286 1.00 0.66 N ATOM 230 CA ASP C 23 22.569 13.660 -3.060 1.00 0.53 C ATOM 231 C ASP C 23 23.121 14.558 -1.951 1.00 0.56 C ATOM 232 O ASP C 23 23.718 14.092 -1.001 1.00 0.67 O ATOM 233 CB ASP C 23 21.192 13.127 -2.638 1.00 0.55 C ATOM 234 CG ASP C 23 21.030 11.672 -3.092 1.00 0.68 C ATOM 235 OD1 ASP C 23 21.627 10.808 -2.470 1.00 1.60 O ATOM 236 OD2 ASP C 23 20.312 11.448 -4.052 1.00 0.91 O ATOM 237 HA ASP C 23 22.469 14.230 -3.983 1.00 0.00 H ATOM 238 HB2 ASP C 23 21.102 13.179 -1.553 1.00 0.00 H ATOM 239 HB3 ASP C 23 20.413 13.737 -3.096 1.00 0.00 H ATOM 240 H ASP C 23 23.540 11.734 -2.607 1.00 0.00 H ATOM 241 N LEU C 24 22.926 15.843 -2.065 1.00 0.59 N ATOM 242 CA LEU C 24 23.438 16.772 -1.020 1.00 0.70 C ATOM 243 C LEU C 24 22.365 16.973 0.052 1.00 0.62 C ATOM 244 O LEU C 24 21.212 17.215 -0.248 1.00 0.90 O ATOM 245 CB LEU C 24 23.782 18.118 -1.661 1.00 0.87 C ATOM 246 CG LEU C 24 24.842 17.911 -2.745 1.00 0.89 C ATOM 247 CD1 LEU C 24 24.778 19.063 -3.749 1.00 1.63 C ATOM 248 CD2 LEU C 24 26.229 17.874 -2.100 1.00 1.14 C ATOM 249 HA LEU C 24 24.332 16.350 -0.562 1.00 0.00 H ATOM 250 HB2 LEU C 24 22.885 18.548 -2.107 1.00 0.00 H ATOM 251 HB3 LEU C 24 24.168 18.795 -0.899 1.00 0.00 H ATOM 252 HG LEU C 24 24.655 16.969 -3.261 1.00 0.00 H ATOM 253 HD21 LEU C 24 26.414 18.817 -1.585 1.00 0.00 H ATOM 254 HD22 LEU C 24 26.274 17.053 -1.385 1.00 0.00 H ATOM 255 HD23 LEU C 24 26.984 17.727 -2.873 1.00 0.00 H ATOM 256 HD11 LEU C 24 23.789 19.089 -4.207 1.00 0.00 H ATOM 257 HD12 LEU C 24 24.965 20.004 -3.232 1.00 0.00 H ATOM 258 HD13 LEU C 24 25.534 18.914 -4.520 1.00 0.00 H ATOM 259 H LEU C 24 22.412 16.219 -2.887 1.00 0.00 H ATOM 260 N SER C 25 22.734 16.876 1.299 1.00 0.57 N ATOM 261 CA SER C 25 21.734 17.062 2.389 1.00 0.53 C ATOM 262 C SER C 25 21.518 18.556 2.637 1.00 0.52 C ATOM 263 O SER C 25 22.456 19.309 2.806 1.00 0.62 O ATOM 264 CB SER C 25 22.250 16.402 3.670 1.00 0.60 C ATOM 265 OG SER C 25 23.395 15.618 3.371 1.00 0.89 O ATOM 266 HA SER C 25 20.789 16.603 2.097 1.00 0.00 H ATOM 267 HB2 SER C 25 21.472 15.764 4.089 1.00 0.00 H ATOM 268 HB3 SER C 25 22.516 17.172 4.394 1.00 0.00 H ATOM 269 HG SER C 25 23.152 14.919 2.714 1.00 0.00 H ATOM 270 H SER C 25 23.726 16.669 1.533 1.00 0.00 H ATOM 271 N PHE C 26 20.287 18.993 2.661 1.00 0.46 N ATOM 272 CA PHE C 26 20.014 20.439 2.899 1.00 0.48 C ATOM 273 C PHE C 26 19.038 20.585 4.068 1.00 0.50 C ATOM 274 O PHE C 26 18.242 19.709 4.337 1.00 0.63 O ATOM 275 CB PHE C 26 19.406 21.064 1.640 1.00 0.50 C ATOM 276 CG PHE C 26 18.159 20.283 1.225 1.00 0.45 C ATOM 277 CD1 PHE C 26 16.929 20.592 1.774 1.00 0.99 C ATOM 278 CD2 PHE C 26 18.242 19.269 0.288 1.00 1.06 C ATOM 279 CE1 PHE C 26 15.799 19.899 1.393 1.00 1.01 C ATOM 280 CE2 PHE C 26 17.112 18.576 -0.094 1.00 1.03 C ATOM 281 CZ PHE C 26 15.890 18.891 0.459 1.00 0.44 C ATOM 282 HA PHE C 26 20.947 20.950 3.137 1.00 0.00 H ATOM 283 HB2 PHE C 26 19.133 22.099 1.845 1.00 0.00 H ATOM 284 HB3 PHE C 26 20.137 21.035 0.832 1.00 0.00 H ATOM 285 HD2 PHE C 26 19.207 19.016 -0.152 1.00 0.00 H ATOM 286 HE2 PHE C 26 17.186 17.779 -0.834 1.00 0.00 H ATOM 287 HZ PHE C 26 14.997 18.343 0.158 1.00 0.00 H ATOM 288 HE1 PHE C 26 14.833 20.149 1.832 1.00 0.00 H ATOM 289 HD1 PHE C 26 16.851 21.389 2.513 1.00 0.00 H ATOM 290 H PHE C 26 19.498 18.332 2.514 1.00 0.00 H ATOM 291 N LYS C 27 19.093 21.687 4.766 1.00 0.54 N ATOM 292 CA LYS C 27 18.167 21.887 5.917 1.00 0.56 C ATOM 293 C LYS C 27 17.019 22.809 5.498 1.00 0.53 C ATOM 294 O LYS C 27 16.981 23.304 4.389 1.00 0.60 O ATOM 295 CB LYS C 27 18.933 22.518 7.083 1.00 0.70 C ATOM 296 CG LYS C 27 20.204 21.709 7.357 1.00 1.16 C ATOM 297 CD LYS C 27 21.051 22.429 8.409 1.00 1.68 C ATOM 298 CE LYS C 27 21.328 21.481 9.577 1.00 1.98 C ATOM 299 NZ LYS C 27 22.671 21.776 10.150 1.00 2.62 N ATOM 300 HA LYS C 27 17.761 20.925 6.228 1.00 0.00 H ATOM 301 HB2 LYS C 27 19.202 23.543 6.829 1.00 0.00 H ATOM 302 HB3 LYS C 27 18.304 22.519 7.973 1.00 0.00 H ATOM 303 HG2 LYS C 27 19.933 20.719 7.724 1.00 0.00 H ATOM 304 HG3 LYS C 27 20.777 21.609 6.435 1.00 0.00 H ATOM 305 HD2 LYS C 27 21.995 22.742 7.963 1.00 0.00 H ATOM 306 HD3 LYS C 27 20.513 23.305 8.771 1.00 0.00 H ATOM 307 HE2 LYS C 27 21.302 20.451 9.223 1.00 0.00 H ATOM 308 HE3 LYS C 27 20.567 21.619 10.345 1.00 0.00 H ATOM 309 HZ1 LYS C 27 23.396 21.644 9.416 1.00 0.00 H ATOM 310 HZ2 LYS C 27 22.694 22.759 10.488 1.00 0.00 H ATOM 311 HZ3 LYS C 27 22.857 21.130 10.944 1.00 0.00 H ATOM 312 H LYS C 27 19.783 22.425 4.519 1.00 0.00 H ATOM 313 N LYS C 28 16.082 23.042 6.377 1.00 0.59 N ATOM 314 CA LYS C 28 14.937 23.931 6.030 1.00 0.59 C ATOM 315 C LYS C 28 15.419 25.382 5.960 1.00 0.64 C ATOM 316 O LYS C 28 16.210 25.823 6.770 1.00 0.80 O ATOM 317 CB LYS C 28 13.851 23.803 7.101 1.00 0.63 C ATOM 318 CG LYS C 28 12.715 24.783 6.799 1.00 0.80 C ATOM 319 CD LYS C 28 11.552 24.526 7.761 1.00 1.07 C ATOM 320 CE LYS C 28 10.914 25.859 8.159 1.00 1.62 C ATOM 321 NZ LYS C 28 9.800 25.609 9.116 1.00 1.99 N ATOM 322 HA LYS C 28 14.529 23.639 5.062 1.00 0.00 H ATOM 323 HB2 LYS C 28 13.461 22.785 7.103 1.00 0.00 H ATOM 324 HB3 LYS C 28 14.276 24.030 8.079 1.00 0.00 H ATOM 325 HG2 LYS C 28 13.073 25.805 6.925 1.00 0.00 H ATOM 326 HG3 LYS C 28 12.376 24.642 5.773 1.00 0.00 H ATOM 327 HD2 LYS C 28 10.807 23.898 7.272 1.00 0.00 H ATOM 328 HD3 LYS C 28 11.923 24.020 8.652 1.00 0.00 H ATOM 329 HE2 LYS C 28 10.525 26.356 7.270 1.00 0.00 H ATOM 330 HE3 LYS C 28 11.663 26.495 8.631 1.00 0.00 H ATOM 331 HZ1 LYS C 28 9.086 25.003 8.664 1.00 0.00 H ATOM 332 HZ2 LYS C 28 10.172 25.135 9.964 1.00 0.00 H ATOM 333 HZ3 LYS C 28 9.367 26.515 9.386 1.00 0.00 H ATOM 334 H LYS C 28 16.135 22.607 7.320 1.00 0.00 H ATOM 335 N GLY C 29 14.949 26.127 4.997 1.00 0.67 N ATOM 336 CA GLY C 29 15.379 27.548 4.876 1.00 0.79 C ATOM 337 C GLY C 29 16.385 27.683 3.731 1.00 0.71 C ATOM 338 O GLY C 29 16.498 28.722 3.111 1.00 0.73 O ATOM 339 HA3 GLY C 29 15.845 27.867 5.808 1.00 0.00 H ATOM 340 HA2 GLY C 29 14.510 28.174 4.672 1.00 0.00 H ATOM 341 H GLY C 29 14.274 25.728 4.314 1.00 0.00 H ATOM 342 N GLU C 30 17.118 26.642 3.445 1.00 0.71 N ATOM 343 CA GLU C 30 18.114 26.716 2.340 1.00 0.70 C ATOM 344 C GLU C 30 17.389 26.631 0.995 1.00 0.55 C ATOM 345 O GLU C 30 16.433 25.898 0.839 1.00 0.63 O ATOM 346 CB GLU C 30 19.100 25.552 2.462 1.00 0.85 C ATOM 347 CG GLU C 30 20.117 25.622 1.321 1.00 0.80 C ATOM 348 CD GLU C 30 21.477 25.130 1.820 1.00 1.02 C ATOM 349 OE1 GLU C 30 21.501 24.424 2.815 1.00 1.75 O ATOM 350 OE2 GLU C 30 22.472 25.469 1.200 1.00 1.61 O ATOM 351 HA GLU C 30 18.657 27.659 2.402 1.00 0.00 H ATOM 352 HB2 GLU C 30 19.621 25.615 3.417 1.00 0.00 H ATOM 353 HB3 GLU C 30 18.557 24.608 2.408 1.00 0.00 H ATOM 354 HG2 GLU C 30 19.783 24.992 0.496 1.00 0.00 H ATOM 355 HG3 GLU C 30 20.207 26.652 0.977 1.00 0.00 H ATOM 356 H GLU C 30 17.007 25.762 3.988 1.00 0.00 H ATOM 357 N ARG C 31 17.836 27.377 0.022 1.00 0.50 N ATOM 358 CA ARG C 31 17.172 27.338 -1.311 1.00 0.43 C ATOM 359 C ARG C 31 18.006 26.486 -2.269 1.00 0.41 C ATOM 360 O ARG C 31 19.197 26.323 -2.094 1.00 0.56 O ATOM 361 CB ARG C 31 17.056 28.759 -1.865 1.00 0.57 C ATOM 362 CG ARG C 31 16.187 29.602 -0.930 1.00 0.69 C ATOM 363 CD ARG C 31 17.026 30.737 -0.340 1.00 1.04 C ATOM 364 NE ARG C 31 16.233 31.998 -0.347 1.00 1.69 N ATOM 365 CZ ARG C 31 16.832 33.151 -0.216 1.00 2.19 C ATOM 366 NH1 ARG C 31 18.130 33.204 -0.081 1.00 2.35 N ATOM 367 NH2 ARG C 31 16.133 34.252 -0.221 1.00 3.07 N ATOM 368 HA ARG C 31 16.177 26.905 -1.209 1.00 0.00 H ATOM 369 HB2 ARG C 31 18.049 29.203 -1.938 1.00 0.00 H ATOM 370 HB3 ARG C 31 16.600 28.727 -2.855 1.00 0.00 H ATOM 371 HG2 ARG C 31 15.351 30.021 -1.490 1.00 0.00 H ATOM 372 HG3 ARG C 31 15.805 28.975 -0.124 1.00 0.00 H ATOM 373 HD2 ARG C 31 17.927 30.871 -0.938 1.00 0.00 H ATOM 374 HD3 ARG C 31 17.305 30.489 0.684 1.00 0.00 H ATOM 375 HE ARG C 31 15.199 31.960 -0.457 1.00 0.00 H ATOM 376 HH12 ARG C 31 18.605 34.123 0.023 1.00 0.00 H ATOM 377 HH11 ARG C 31 18.689 32.327 -0.078 1.00 0.00 H ATOM 378 HH22 ARG C 31 16.609 35.171 -0.117 1.00 0.00 H ATOM 379 HH21 ARG C 31 15.099 34.211 -0.329 1.00 0.00 H ATOM 380 H ARG C 31 18.655 27.998 0.177 1.00 0.00 H ATOM 381 N LEU C 32 17.391 25.939 -3.282 1.00 0.39 N ATOM 382 CA LEU C 32 18.152 25.098 -4.248 1.00 0.44 C ATOM 383 C LEU C 32 17.628 25.340 -5.665 1.00 0.43 C ATOM 384 O LEU C 32 16.453 25.574 -5.870 1.00 0.56 O ATOM 385 CB LEU C 32 17.976 23.622 -3.888 1.00 0.56 C ATOM 386 CG LEU C 32 18.582 23.352 -2.510 1.00 0.60 C ATOM 387 CD1 LEU C 32 17.461 23.199 -1.481 1.00 0.70 C ATOM 388 CD2 LEU C 32 19.407 22.064 -2.562 1.00 0.73 C ATOM 389 HA LEU C 32 19.208 25.362 -4.202 1.00 0.00 H ATOM 390 HB2 LEU C 32 16.914 23.377 -3.872 1.00 0.00 H ATOM 391 HB3 LEU C 32 18.479 23.005 -4.633 1.00 0.00 H ATOM 392 HG LEU C 32 19.225 24.185 -2.225 1.00 0.00 H ATOM 393 HD21 LEU C 32 18.762 21.232 -2.846 1.00 0.00 H ATOM 394 HD22 LEU C 32 20.205 22.175 -3.296 1.00 0.00 H ATOM 395 HD23 LEU C 32 19.839 21.871 -1.580 1.00 0.00 H ATOM 396 HD11 LEU C 32 16.873 24.116 -1.447 1.00 0.00 H ATOM 397 HD12 LEU C 32 16.819 22.365 -1.766 1.00 0.00 H ATOM 398 HD13 LEU C 32 17.894 23.007 -0.499 1.00 0.00 H ATOM 399 H LEU C 32 16.371 26.090 -3.415 1.00 0.00 H ATOM 400 N GLN C 33 18.489 25.286 -6.644 1.00 0.37 N ATOM 401 CA GLN C 33 18.036 25.514 -8.045 1.00 0.39 C ATOM 402 C GLN C 33 17.537 24.195 -8.636 1.00 0.40 C ATOM 403 O GLN C 33 18.310 23.320 -8.973 1.00 0.65 O ATOM 404 CB GLN C 33 19.201 26.044 -8.881 1.00 0.48 C ATOM 405 CG GLN C 33 18.675 27.068 -9.889 1.00 0.96 C ATOM 406 CD GLN C 33 19.852 27.787 -10.551 1.00 1.47 C ATOM 407 OE1 GLN C 33 20.994 27.430 -10.340 1.00 2.34 O ATOM 408 NE2 GLN C 33 19.620 28.793 -11.349 1.00 1.88 N ATOM 409 HA GLN C 33 17.228 26.245 -8.053 1.00 0.00 H ATOM 410 HB2 GLN C 33 19.933 26.519 -8.227 1.00 0.00 H ATOM 411 HB3 GLN C 33 19.673 25.218 -9.413 1.00 0.00 H ATOM 412 HG2 GLN C 33 18.086 26.558 -10.651 1.00 0.00 H ATOM 413 HG3 GLN C 33 18.048 27.796 -9.374 1.00 0.00 H ATOM 414 HE22 GLN C 33 18.643 29.099 -11.530 1.00 0.00 H ATOM 415 HE21 GLN C 33 20.413 29.289 -11.804 1.00 0.00 H ATOM 416 H GLN C 33 19.490 25.084 -6.447 1.00 0.00 H ATOM 417 N ILE C 34 16.250 24.046 -8.766 1.00 0.43 N ATOM 418 CA ILE C 34 15.698 22.786 -9.335 1.00 0.44 C ATOM 419 C ILE C 34 16.175 22.614 -10.779 1.00 0.43 C ATOM 420 O ILE C 34 16.145 23.537 -11.569 1.00 0.61 O ATOM 421 CB ILE C 34 14.172 22.848 -9.300 1.00 0.56 C ATOM 422 CG1 ILE C 34 13.694 22.856 -7.847 1.00 0.63 C ATOM 423 CG2 ILE C 34 13.589 21.628 -10.017 1.00 0.57 C ATOM 424 CD1 ILE C 34 14.421 21.765 -7.058 1.00 0.54 C ATOM 425 HA ILE C 34 16.045 21.937 -8.745 1.00 0.00 H ATOM 426 HB ILE C 34 13.838 23.757 -9.801 1.00 0.00 H ATOM 427 HG12 ILE C 34 13.906 23.828 -7.401 1.00 0.00 H ATOM 428 HG13 ILE C 34 12.620 22.670 -7.818 1.00 0.00 H ATOM 429 HD11 ILE C 34 14.208 20.793 -7.503 1.00 0.00 H ATOM 430 HD12 ILE C 34 15.494 21.952 -7.087 1.00 0.00 H ATOM 431 HD13 ILE C 34 14.077 21.775 -6.024 1.00 0.00 H ATOM 432 HG21 ILE C 34 13.927 21.621 -11.053 1.00 0.00 H ATOM 433 HG22 ILE C 34 13.926 20.719 -9.518 1.00 0.00 H ATOM 434 HG23 ILE C 34 12.500 21.677 -9.989 1.00 0.00 H ATOM 435 H ILE C 34 15.607 24.808 -8.472 1.00 0.00 H ATOM 436 N VAL C 35 16.617 21.436 -11.126 1.00 0.35 N ATOM 437 CA VAL C 35 17.096 21.195 -12.517 1.00 0.39 C ATOM 438 C VAL C 35 15.992 20.502 -13.319 1.00 0.49 C ATOM 439 O VAL C 35 15.244 21.133 -14.039 1.00 0.61 O ATOM 440 CB VAL C 35 18.340 20.300 -12.483 1.00 0.40 C ATOM 441 CG1 VAL C 35 18.793 20.008 -13.914 1.00 0.51 C ATOM 442 CG2 VAL C 35 19.466 21.013 -11.727 1.00 0.47 C ATOM 443 HA VAL C 35 17.347 22.146 -12.986 1.00 0.00 H ATOM 444 HB VAL C 35 18.101 19.365 -11.977 1.00 0.00 H ATOM 445 HG11 VAL C 35 17.992 19.500 -14.451 1.00 0.00 H ATOM 446 HG12 VAL C 35 19.031 20.945 -14.417 1.00 0.00 H ATOM 447 HG13 VAL C 35 19.678 19.372 -13.891 1.00 0.00 H ATOM 448 HG21 VAL C 35 19.706 21.948 -12.233 1.00 0.00 H ATOM 449 HG22 VAL C 35 19.142 21.222 -10.708 1.00 0.00 H ATOM 450 HG23 VAL C 35 20.349 20.374 -11.705 1.00 0.00 H ATOM 451 H VAL C 35 16.635 20.663 -10.430 1.00 0.00 H ATOM 452 N ASN C 36 15.886 19.208 -13.198 1.00 0.64 N ATOM 453 CA ASN C 36 14.834 18.470 -13.949 1.00 0.80 C ATOM 454 C ASN C 36 13.815 17.907 -12.956 1.00 0.84 C ATOM 455 O ASN C 36 14.168 17.234 -12.007 1.00 1.25 O ATOM 456 CB ASN C 36 15.476 17.323 -14.731 1.00 1.16 C ATOM 457 CG ASN C 36 14.976 17.353 -16.177 1.00 1.56 C ATOM 458 OD1 ASN C 36 14.721 18.409 -16.721 1.00 1.80 O ATOM 459 ND2 ASN C 36 14.822 16.232 -16.826 1.00 2.30 N ATOM 460 HA ASN C 36 14.335 19.144 -14.645 1.00 0.00 H ATOM 461 HB2 ASN C 36 16.560 17.435 -14.718 1.00 0.00 H ATOM 462 HB3 ASN C 36 15.205 16.372 -14.272 1.00 0.00 H ATOM 463 HD22 ASN C 36 15.040 15.328 -16.361 1.00 0.00 H ATOM 464 HD21 ASN C 36 14.481 16.243 -17.808 1.00 0.00 H ATOM 465 H ASN C 36 16.538 18.690 -12.575 1.00 0.00 H ATOM 466 N ASN C 37 12.555 18.171 -13.164 1.00 1.21 N ATOM 467 CA ASN C 37 11.527 17.646 -12.224 1.00 1.45 C ATOM 468 C ASN C 37 10.145 17.727 -12.869 1.00 1.23 C ATOM 469 O ASN C 37 9.535 18.778 -12.929 1.00 1.95 O ATOM 470 CB ASN C 37 11.533 18.478 -10.942 1.00 2.43 C ATOM 471 CG ASN C 37 11.226 19.938 -11.279 1.00 3.45 C ATOM 472 OD1 ASN C 37 10.224 20.475 -10.849 1.00 3.97 O ATOM 473 ND2 ASN C 37 12.053 20.609 -12.032 1.00 4.14 N ATOM 474 HA ASN C 37 11.757 16.607 -11.989 1.00 0.00 H ATOM 475 HB2 ASN C 37 10.776 18.096 -10.257 1.00 0.00 H ATOM 476 HB3 ASN C 37 12.514 18.412 -10.471 1.00 0.00 H ATOM 477 HD22 ASN C 37 12.910 20.150 -12.400 1.00 0.00 H ATOM 478 HD21 ASN C 37 11.855 21.603 -12.264 1.00 0.00 H ATOM 479 H ASN C 37 12.270 18.746 -13.983 1.00 0.00 H ATOM 480 N THR C 38 9.647 16.624 -13.352 1.00 1.53 N ATOM 481 CA THR C 38 8.302 16.636 -13.995 1.00 2.21 C ATOM 482 C THR C 38 7.610 15.277 -13.817 1.00 2.39 C ATOM 483 O THR C 38 6.552 15.040 -14.365 1.00 3.08 O ATOM 484 CB THR C 38 8.461 16.937 -15.487 1.00 2.78 C ATOM 485 OG1 THR C 38 7.206 16.783 -16.136 1.00 3.71 O ATOM 486 CG2 THR C 38 9.479 15.972 -16.096 1.00 2.92 C ATOM 487 HA THR C 38 7.689 17.404 -13.523 1.00 0.00 H ATOM 488 HB THR C 38 8.812 17.960 -15.618 1.00 0.00 H ATOM 489 HG1 THR C 38 6.887 15.853 -16.018 1.00 0.00 H ATOM 490 HG23 THR C 38 10.439 16.095 -15.595 1.00 0.00 H ATOM 491 HG21 THR C 38 9.129 14.948 -15.968 1.00 0.00 H ATOM 492 HG22 THR C 38 9.592 16.188 -17.158 1.00 0.00 H ATOM 493 H THR C 38 10.187 15.737 -13.289 1.00 0.00 H ATOM 494 N GLU C 39 8.183 14.383 -13.055 1.00 2.19 N ATOM 495 CA GLU C 39 7.538 13.059 -12.863 1.00 2.61 C ATOM 496 C GLU C 39 8.214 12.323 -11.705 1.00 2.14 C ATOM 497 O GLU C 39 7.673 12.219 -10.622 1.00 2.73 O ATOM 498 CB GLU C 39 7.694 12.238 -14.140 1.00 3.30 C ATOM 499 CG GLU C 39 6.317 11.971 -14.752 1.00 4.35 C ATOM 500 CD GLU C 39 6.412 10.797 -15.728 1.00 5.03 C ATOM 501 OE1 GLU C 39 6.800 11.024 -16.863 1.00 5.32 O ATOM 502 OE2 GLU C 39 6.094 9.691 -15.325 1.00 5.59 O ATOM 503 HA GLU C 39 6.481 13.197 -12.637 1.00 0.00 H ATOM 504 HB2 GLU C 39 8.307 12.789 -14.853 1.00 0.00 H ATOM 505 HB3 GLU C 39 8.177 11.289 -13.905 1.00 0.00 H ATOM 506 HG2 GLU C 39 5.608 11.729 -13.960 1.00 0.00 H ATOM 507 HG3 GLU C 39 5.977 12.860 -15.284 1.00 0.00 H ATOM 508 H GLU C 39 9.086 14.598 -12.586 1.00 0.00 H ATOM 509 N GLY C 40 9.393 11.809 -11.936 1.00 1.81 N ATOM 510 CA GLY C 40 10.130 11.072 -10.867 1.00 1.99 C ATOM 511 C GLY C 40 9.915 11.751 -9.513 1.00 1.62 C ATOM 512 O GLY C 40 9.731 12.950 -9.429 1.00 1.97 O ATOM 513 HA3 GLY C 40 11.194 11.065 -11.102 1.00 0.00 H ATOM 514 HA2 GLY C 40 9.764 10.047 -10.818 1.00 0.00 H ATOM 515 H GLY C 40 9.824 11.915 -12.877 1.00 0.00 H ATOM 516 N ASP C 41 9.940 10.991 -8.453 1.00 1.27 N ATOM 517 CA ASP C 41 9.737 11.581 -7.099 1.00 1.04 C ATOM 518 C ASP C 41 11.055 12.154 -6.579 1.00 0.83 C ATOM 519 O ASP C 41 11.118 12.716 -5.503 1.00 1.11 O ATOM 520 CB ASP C 41 9.246 10.493 -6.144 1.00 1.30 C ATOM 521 CG ASP C 41 7.740 10.300 -6.325 1.00 1.65 C ATOM 522 OD1 ASP C 41 7.276 10.434 -7.446 1.00 2.34 O ATOM 523 OD2 ASP C 41 7.076 10.021 -5.341 1.00 1.99 O ATOM 524 HA ASP C 41 8.998 12.380 -7.161 1.00 0.00 H ATOM 525 HB2 ASP C 41 9.762 9.558 -6.362 1.00 0.00 H ATOM 526 HB3 ASP C 41 9.454 10.790 -5.116 1.00 0.00 H ATOM 527 H ASP C 41 10.102 9.969 -8.553 1.00 0.00 H ATOM 528 N TRP C 42 12.110 12.011 -7.328 1.00 0.67 N ATOM 529 CA TRP C 42 13.420 12.549 -6.875 1.00 0.47 C ATOM 530 C TRP C 42 13.951 13.515 -7.932 1.00 0.43 C ATOM 531 O TRP C 42 14.283 13.127 -9.035 1.00 0.59 O ATOM 532 CB TRP C 42 14.405 11.396 -6.677 1.00 0.53 C ATOM 533 CG TRP C 42 14.192 10.780 -5.292 1.00 0.51 C ATOM 534 CD1 TRP C 42 13.398 9.726 -5.031 1.00 0.58 C ATOM 535 CD2 TRP C 42 14.762 11.208 -4.165 1.00 0.48 C ATOM 536 NE1 TRP C 42 13.525 9.554 -3.714 1.00 0.57 N ATOM 537 CE2 TRP C 42 14.354 10.433 -3.096 1.00 0.51 C ATOM 538 CE3 TRP C 42 15.640 12.255 -3.959 1.00 0.51 C ATOM 539 CZ2 TRP C 42 14.822 10.703 -1.826 1.00 0.53 C ATOM 540 CZ3 TRP C 42 16.107 12.524 -2.687 1.00 0.56 C ATOM 541 CH2 TRP C 42 15.698 11.748 -1.621 1.00 0.55 C ATOM 542 HA TRP C 42 13.299 13.076 -5.929 1.00 0.00 H ATOM 543 HB2 TRP C 42 14.237 10.638 -7.442 1.00 0.00 H ATOM 544 HB3 TRP C 42 15.425 11.771 -6.756 1.00 0.00 H ATOM 545 HE1 TRP C 42 13.025 8.801 -3.199 1.00 0.00 H ATOM 546 HD1 TRP C 42 12.793 9.149 -5.730 1.00 0.00 H ATOM 547 HZ2 TRP C 42 14.499 10.090 -0.985 1.00 0.00 H ATOM 548 HH2 TRP C 42 16.067 11.961 -0.618 1.00 0.00 H ATOM 549 HZ3 TRP C 42 16.799 13.350 -2.525 1.00 0.00 H ATOM 550 HE3 TRP C 42 15.964 12.868 -4.800 1.00 0.00 H ATOM 551 H TRP C 42 12.037 11.521 -8.242 1.00 0.00 H ATOM 552 N TRP C 43 14.029 14.773 -7.606 1.00 0.33 N ATOM 553 CA TRP C 43 14.535 15.767 -8.589 1.00 0.33 C ATOM 554 C TRP C 43 16.019 16.032 -8.338 1.00 0.32 C ATOM 555 O TRP C 43 16.588 15.574 -7.367 1.00 0.39 O ATOM 556 CB TRP C 43 13.748 17.069 -8.437 1.00 0.41 C ATOM 557 CG TRP C 43 12.254 16.779 -8.604 1.00 0.42 C ATOM 558 CD1 TRP C 43 11.738 15.785 -9.347 1.00 0.51 C ATOM 559 CD2 TRP C 43 11.274 17.470 -8.028 1.00 0.43 C ATOM 560 NE1 TRP C 43 10.420 15.922 -9.184 1.00 0.56 N ATOM 561 CE2 TRP C 43 10.043 16.947 -8.376 1.00 0.51 C ATOM 562 CE3 TRP C 43 11.349 18.560 -7.185 1.00 0.44 C ATOM 563 CZ2 TRP C 43 8.888 17.516 -7.878 1.00 0.56 C ATOM 564 CZ3 TRP C 43 10.193 19.127 -6.687 1.00 0.50 C ATOM 565 CH2 TRP C 43 8.963 18.605 -7.034 1.00 0.55 C ATOM 566 HA TRP C 43 14.408 15.378 -9.599 1.00 0.00 H ATOM 567 HB2 TRP C 43 13.929 17.491 -7.449 1.00 0.00 H ATOM 568 HB3 TRP C 43 14.069 17.780 -9.199 1.00 0.00 H ATOM 569 HE1 TRP C 43 9.732 15.290 -9.642 1.00 0.00 H ATOM 570 HD1 TRP C 43 12.270 15.043 -9.942 1.00 0.00 H ATOM 571 HZ2 TRP C 43 7.916 17.105 -8.152 1.00 0.00 H ATOM 572 HH2 TRP C 43 8.051 19.053 -6.641 1.00 0.00 H ATOM 573 HZ3 TRP C 43 10.251 19.987 -6.020 1.00 0.00 H ATOM 574 HE3 TRP C 43 12.320 18.973 -6.913 1.00 0.00 H ATOM 575 H TRP C 43 13.737 15.083 -6.657 1.00 0.00 H ATOM 576 N LEU C 44 16.649 16.769 -9.209 1.00 0.35 N ATOM 577 CA LEU C 44 18.093 17.067 -9.028 1.00 0.34 C ATOM 578 C LEU C 44 18.279 18.580 -8.975 1.00 0.32 C ATOM 579 O LEU C 44 18.055 19.275 -9.941 1.00 0.49 O ATOM 580 CB LEU C 44 18.876 16.484 -10.203 1.00 0.44 C ATOM 581 CG LEU C 44 20.353 16.855 -10.072 1.00 0.46 C ATOM 582 CD1 LEU C 44 21.121 15.676 -9.478 1.00 1.15 C ATOM 583 CD2 LEU C 44 20.917 17.181 -11.454 1.00 1.01 C ATOM 584 HA LEU C 44 18.458 16.624 -8.102 1.00 0.00 H ATOM 585 HB2 LEU C 44 18.773 15.399 -10.205 1.00 0.00 H ATOM 586 HB3 LEU C 44 18.482 16.886 -11.136 1.00 0.00 H ATOM 587 HG LEU C 44 20.455 17.723 -9.421 1.00 0.00 H ATOM 588 HD21 LEU C 44 20.815 16.310 -12.101 1.00 0.00 H ATOM 589 HD22 LEU C 44 20.366 18.019 -11.881 1.00 0.00 H ATOM 590 HD23 LEU C 44 21.970 17.446 -11.362 1.00 0.00 H ATOM 591 HD11 LEU C 44 20.716 15.439 -8.494 1.00 0.00 H ATOM 592 HD12 LEU C 44 21.019 14.811 -10.133 1.00 0.00 H ATOM 593 HD13 LEU C 44 22.174 15.940 -9.384 1.00 0.00 H ATOM 594 H LEU C 44 16.140 17.149 -10.032 1.00 0.00 H ATOM 595 N ALA C 45 18.688 19.101 -7.854 1.00 0.30 N ATOM 596 CA ALA C 45 18.881 20.572 -7.756 1.00 0.34 C ATOM 597 C ALA C 45 20.372 20.909 -7.711 1.00 0.27 C ATOM 598 O ALA C 45 21.221 20.041 -7.633 1.00 0.40 O ATOM 599 CB ALA C 45 18.202 21.090 -6.489 1.00 0.55 C ATOM 600 HA ALA C 45 18.438 21.047 -8.632 1.00 0.00 H ATOM 601 HB1 ALA C 45 17.136 20.864 -6.531 1.00 0.00 H ATOM 602 HB2 ALA C 45 18.643 20.606 -5.618 1.00 0.00 H ATOM 603 HB3 ALA C 45 18.344 22.168 -6.417 1.00 0.00 H ATOM 604 H ALA C 45 18.878 18.492 -7.033 1.00 0.00 H ATOM 605 N HIS C 46 20.686 22.175 -7.756 1.00 0.32 N ATOM 606 CA HIS C 46 22.109 22.606 -7.719 1.00 0.33 C ATOM 607 C HIS C 46 22.251 23.761 -6.722 1.00 0.46 C ATOM 608 O HIS C 46 21.680 24.819 -6.898 1.00 0.58 O ATOM 609 CB HIS C 46 22.522 23.062 -9.127 1.00 0.46 C ATOM 610 CG HIS C 46 23.693 24.047 -9.048 1.00 0.65 C ATOM 611 ND1 HIS C 46 24.917 23.723 -9.000 1.00 0.86 N ATOM 612 CD2 HIS C 46 23.687 25.429 -9.014 1.00 0.86 C ATOM 613 CE1 HIS C 46 25.656 24.766 -8.940 1.00 1.03 C ATOM 614 NE2 HIS C 46 24.948 25.884 -8.945 1.00 1.05 N ATOM 615 HA HIS C 46 22.752 21.784 -7.405 1.00 0.00 H ATOM 616 HB2 HIS C 46 22.822 22.193 -9.713 1.00 0.00 H ATOM 617 HB3 HIS C 46 21.675 23.549 -9.610 1.00 0.00 H ATOM 618 HD2 HIS C 46 22.794 26.054 -9.039 1.00 0.00 H ATOM 619 HE1 HIS C 46 26.744 24.737 -8.890 1.00 0.00 H ATOM 620 H HIS C 46 19.933 22.890 -7.818 1.00 0.00 H ATOM 621 N SER C 47 23.007 23.566 -5.677 1.00 0.68 N ATOM 622 CA SER C 47 23.183 24.654 -4.674 1.00 0.95 C ATOM 623 C SER C 47 23.799 25.877 -5.355 1.00 0.70 C ATOM 624 O SER C 47 24.407 25.776 -6.402 1.00 1.14 O ATOM 625 CB SER C 47 24.110 24.172 -3.557 1.00 1.60 C ATOM 626 OG SER C 47 23.422 23.234 -2.742 1.00 2.06 O ATOM 627 HA SER C 47 22.214 24.921 -4.252 1.00 0.00 H ATOM 628 HB2 SER C 47 24.420 25.022 -2.950 1.00 0.00 H ATOM 629 HB3 SER C 47 24.989 23.698 -3.993 1.00 0.00 H ATOM 630 HG SER C 47 24.023 22.923 -2.020 1.00 0.00 H ATOM 631 H SER C 47 23.486 22.653 -5.544 1.00 0.00 H ATOM 632 N LEU C 48 23.648 27.033 -4.769 1.00 0.85 N ATOM 633 CA LEU C 48 24.226 28.261 -5.385 1.00 1.17 C ATOM 634 C LEU C 48 25.391 28.760 -4.527 1.00 1.18 C ATOM 635 O LEU C 48 26.114 29.659 -4.909 1.00 1.55 O ATOM 636 CB LEU C 48 23.151 29.346 -5.467 1.00 1.55 C ATOM 637 CG LEU C 48 21.922 28.791 -6.190 1.00 1.63 C ATOM 638 CD1 LEU C 48 20.803 29.834 -6.166 1.00 2.28 C ATOM 639 CD2 LEU C 48 22.289 28.467 -7.641 1.00 1.81 C ATOM 640 HA LEU C 48 24.585 28.030 -6.388 1.00 0.00 H ATOM 641 HB2 LEU C 48 22.871 29.658 -4.461 1.00 0.00 H ATOM 642 HB3 LEU C 48 23.540 30.203 -6.017 1.00 0.00 H ATOM 643 HG LEU C 48 21.583 27.884 -5.690 1.00 0.00 H ATOM 644 HD21 LEU C 48 22.627 29.375 -8.140 1.00 0.00 H ATOM 645 HD22 LEU C 48 23.087 27.725 -7.656 1.00 0.00 H ATOM 646 HD23 LEU C 48 21.414 28.072 -8.156 1.00 0.00 H ATOM 647 HD11 LEU C 48 20.545 30.064 -5.132 1.00 0.00 H ATOM 648 HD12 LEU C 48 21.142 30.740 -6.667 1.00 0.00 H ATOM 649 HD13 LEU C 48 19.928 29.438 -6.681 1.00 0.00 H ATOM 650 H LEU C 48 23.125 27.098 -3.873 1.00 0.00 H ATOM 651 N THR C 49 25.578 28.185 -3.371 1.00 1.18 N ATOM 652 CA THR C 49 26.696 28.628 -2.491 1.00 1.34 C ATOM 653 C THR C 49 28.023 28.130 -3.068 1.00 1.41 C ATOM 654 O THR C 49 28.821 28.899 -3.567 1.00 1.54 O ATOM 655 CB THR C 49 26.500 28.048 -1.088 1.00 1.60 C ATOM 656 OG1 THR C 49 25.224 28.428 -0.594 1.00 1.75 O ATOM 657 CG2 THR C 49 27.590 28.581 -0.157 1.00 1.92 C ATOM 658 HA THR C 49 26.708 29.717 -2.436 1.00 0.00 H ATOM 659 HB THR C 49 26.563 26.961 -1.132 1.00 0.00 H ATOM 660 HG1 THR C 49 25.098 28.053 0.313 1.00 0.00 H ATOM 661 HG23 THR C 49 28.568 28.288 -0.539 1.00 0.00 H ATOM 662 HG21 THR C 49 27.528 29.668 -0.112 1.00 0.00 H ATOM 663 HG22 THR C 49 27.449 28.166 0.841 1.00 0.00 H ATOM 664 H THR C 49 24.947 27.418 -3.064 1.00 0.00 H ATOM 665 N THR C 50 28.266 26.849 -3.002 1.00 1.53 N ATOM 666 CA THR C 50 29.541 26.304 -3.547 1.00 1.77 C ATOM 667 C THR C 50 29.347 25.932 -5.019 1.00 1.61 C ATOM 668 O THR C 50 30.261 26.013 -5.815 1.00 2.02 O ATOM 669 CB THR C 50 29.942 25.056 -2.756 1.00 2.12 C ATOM 670 OG1 THR C 50 29.129 24.951 -1.596 1.00 2.62 O ATOM 671 CG2 THR C 50 31.411 25.159 -2.342 1.00 2.61 C ATOM 672 HA THR C 50 30.325 27.057 -3.461 1.00 0.00 H ATOM 673 HB THR C 50 29.804 24.173 -3.379 1.00 0.00 H ATOM 674 HG1 THR C 50 29.388 24.144 -1.085 1.00 0.00 H ATOM 675 HG23 THR C 50 32.034 25.240 -3.233 1.00 0.00 H ATOM 676 HG21 THR C 50 31.550 26.042 -1.719 1.00 0.00 H ATOM 677 HG22 THR C 50 31.692 24.268 -1.780 1.00 0.00 H ATOM 678 H THR C 50 27.570 26.209 -2.569 1.00 0.00 H ATOM 679 N GLY C 51 28.163 25.525 -5.386 1.00 1.31 N ATOM 680 CA GLY C 51 27.911 25.148 -6.806 1.00 1.21 C ATOM 681 C GLY C 51 28.046 23.631 -6.960 1.00 1.28 C ATOM 682 O GLY C 51 28.746 23.146 -7.826 1.00 1.98 O ATOM 683 HA3 GLY C 51 28.637 25.645 -7.449 1.00 0.00 H ATOM 684 HA2 GLY C 51 26.905 25.455 -7.091 1.00 0.00 H ATOM 685 H GLY C 51 27.395 25.464 -4.688 1.00 0.00 H ATOM 686 N GLN C 52 27.379 22.878 -6.128 1.00 1.09 N ATOM 687 CA GLN C 52 27.472 21.395 -6.231 1.00 1.20 C ATOM 688 C GLN C 52 26.152 20.832 -6.764 1.00 0.89 C ATOM 689 O GLN C 52 25.190 21.551 -6.952 1.00 0.94 O ATOM 690 CB GLN C 52 27.764 20.809 -4.848 1.00 1.48 C ATOM 691 CG GLN C 52 29.247 20.996 -4.520 1.00 1.89 C ATOM 692 CD GLN C 52 29.858 19.649 -4.128 1.00 2.20 C ATOM 693 OE1 GLN C 52 29.744 18.682 -4.856 1.00 2.65 O ATOM 694 NE2 GLN C 52 30.509 19.544 -3.002 1.00 2.69 N ATOM 695 HA GLN C 52 28.276 21.127 -6.916 1.00 0.00 H ATOM 696 HB2 GLN C 52 27.158 21.321 -4.100 1.00 0.00 H ATOM 697 HB3 GLN C 52 27.522 19.746 -4.844 1.00 0.00 H ATOM 698 HG2 GLN C 52 29.766 21.390 -5.394 1.00 0.00 H ATOM 699 HG3 GLN C 52 29.350 21.697 -3.692 1.00 0.00 H ATOM 700 HE22 GLN C 52 30.607 20.371 -2.379 1.00 0.00 H ATOM 701 HE21 GLN C 52 30.930 18.633 -2.728 1.00 0.00 H ATOM 702 H GLN C 52 26.784 23.313 -5.394 1.00 0.00 H ATOM 703 N THR C 53 26.099 19.550 -7.009 1.00 0.80 N ATOM 704 CA THR C 53 24.843 18.937 -7.531 1.00 0.54 C ATOM 705 C THR C 53 24.382 17.824 -6.578 1.00 0.38 C ATOM 706 O THR C 53 25.184 17.164 -5.947 1.00 0.49 O ATOM 707 CB THR C 53 25.119 18.363 -8.933 1.00 0.79 C ATOM 708 OG1 THR C 53 24.886 19.374 -9.904 1.00 1.13 O ATOM 709 CG2 THR C 53 24.201 17.171 -9.217 1.00 0.88 C ATOM 710 HA THR C 53 24.055 19.687 -7.596 1.00 0.00 H ATOM 711 HB THR C 53 26.155 18.027 -8.979 1.00 0.00 H ATOM 712 HG1 THR C 53 25.062 19.009 -10.807 1.00 0.00 H ATOM 713 HG23 THR C 53 24.377 16.393 -8.474 1.00 0.00 H ATOM 714 HG21 THR C 53 23.161 17.495 -9.167 1.00 0.00 H ATOM 715 HG22 THR C 53 24.413 16.779 -10.212 1.00 0.00 H ATOM 716 H THR C 53 26.935 18.955 -6.840 1.00 0.00 H ATOM 717 N GLY C 54 23.095 17.607 -6.472 1.00 0.39 N ATOM 718 CA GLY C 54 22.598 16.536 -5.559 1.00 0.59 C ATOM 719 C GLY C 54 21.103 16.288 -5.794 1.00 0.50 C ATOM 720 O GLY C 54 20.317 17.209 -5.893 1.00 0.53 O ATOM 721 HA3 GLY C 54 22.754 16.844 -4.525 1.00 0.00 H ATOM 722 HA2 GLY C 54 23.150 15.616 -5.750 1.00 0.00 H ATOM 723 H GLY C 54 22.422 18.178 -7.022 1.00 0.00 H ATOM 724 N TYR C 55 20.707 15.043 -5.885 1.00 0.49 N ATOM 725 CA TYR C 55 19.271 14.721 -6.111 1.00 0.46 C ATOM 726 C TYR C 55 18.466 15.060 -4.854 1.00 0.40 C ATOM 727 O TYR C 55 18.574 14.395 -3.843 1.00 0.61 O ATOM 728 CB TYR C 55 19.126 13.226 -6.397 1.00 0.56 C ATOM 729 CG TYR C 55 19.953 12.835 -7.623 1.00 0.76 C ATOM 730 CD1 TYR C 55 19.555 13.208 -8.892 1.00 1.53 C ATOM 731 CD2 TYR C 55 21.098 12.079 -7.479 1.00 1.48 C ATOM 732 CE1 TYR C 55 20.289 12.828 -9.996 1.00 1.83 C ATOM 733 CE2 TYR C 55 21.832 11.699 -8.583 1.00 1.71 C ATOM 734 CZ TYR C 55 21.433 12.070 -9.851 1.00 1.52 C ATOM 735 OH TYR C 55 22.166 11.689 -10.955 1.00 1.93 O ATOM 736 HA TYR C 55 18.901 15.302 -6.956 1.00 0.00 H ATOM 737 HB3 TYR C 55 18.077 12.996 -6.583 1.00 0.00 H ATOM 738 HB2 TYR C 55 19.474 12.659 -5.533 1.00 0.00 H ATOM 739 HD2 TYR C 55 21.426 11.779 -6.484 1.00 0.00 H ATOM 740 HE2 TYR C 55 22.734 11.101 -8.453 1.00 0.00 H ATOM 741 HE1 TYR C 55 19.963 13.129 -10.992 1.00 0.00 H ATOM 742 HD1 TYR C 55 18.654 13.807 -9.022 1.00 0.00 H ATOM 743 HH TYR C 55 21.735 12.042 -11.774 1.00 0.00 H ATOM 744 H TYR C 55 21.401 14.273 -5.799 1.00 0.00 H ATOM 745 N ILE C 56 17.656 16.080 -4.904 1.00 0.42 N ATOM 746 CA ILE C 56 16.853 16.443 -3.703 1.00 0.37 C ATOM 747 C ILE C 56 15.474 15.777 -3.799 1.00 0.35 C ATOM 748 O ILE C 56 14.898 15.710 -4.867 1.00 0.40 O ATOM 749 CB ILE C 56 16.686 17.962 -3.638 1.00 0.42 C ATOM 750 CG1 ILE C 56 16.060 18.465 -4.939 1.00 0.48 C ATOM 751 CG2 ILE C 56 18.056 18.617 -3.447 1.00 0.48 C ATOM 752 CD1 ILE C 56 14.788 19.253 -4.622 1.00 1.00 C ATOM 753 HA ILE C 56 17.364 16.100 -2.803 1.00 0.00 H ATOM 754 HB ILE C 56 16.038 18.219 -2.800 1.00 0.00 H ATOM 755 HG12 ILE C 56 16.768 19.111 -5.457 1.00 0.00 H ATOM 756 HG13 ILE C 56 15.812 17.616 -5.575 1.00 0.00 H ATOM 757 HD11 ILE C 56 14.080 18.605 -4.104 1.00 0.00 H ATOM 758 HD12 ILE C 56 15.037 20.102 -3.986 1.00 0.00 H ATOM 759 HD13 ILE C 56 14.343 19.611 -5.550 1.00 0.00 H ATOM 760 HG21 ILE C 56 18.502 18.259 -2.519 1.00 0.00 H ATOM 761 HG22 ILE C 56 18.702 18.357 -4.286 1.00 0.00 H ATOM 762 HG23 ILE C 56 17.937 19.699 -3.401 1.00 0.00 H ATOM 763 H ILE C 56 17.571 16.637 -5.778 1.00 0.00 H ATOM 764 N PRO C 57 14.984 15.302 -2.680 1.00 0.33 N ATOM 765 CA PRO C 57 13.670 14.636 -2.621 1.00 0.36 C ATOM 766 C PRO C 57 12.568 15.610 -3.047 1.00 0.34 C ATOM 767 O PRO C 57 12.618 16.785 -2.745 1.00 0.38 O ATOM 768 CB PRO C 57 13.498 14.233 -1.151 1.00 0.41 C ATOM 769 CG PRO C 57 14.754 14.715 -0.380 1.00 0.41 C ATOM 770 CD PRO C 57 15.694 15.392 -1.391 1.00 0.35 C ATOM 771 HA PRO C 57 13.608 13.776 -3.288 1.00 0.00 H ATOM 772 HD3 PRO C 57 15.866 16.433 -1.119 1.00 0.00 H ATOM 773 HD2 PRO C 57 16.648 14.868 -1.440 1.00 0.00 H ATOM 774 HG3 PRO C 57 15.256 13.864 0.081 1.00 0.00 H ATOM 775 HG2 PRO C 57 14.465 15.427 0.393 1.00 0.00 H ATOM 776 HB2 PRO C 57 12.606 14.704 -0.739 1.00 0.00 H ATOM 777 HB3 PRO C 57 13.406 13.150 -1.071 1.00 0.00 H ATOM 778 N SER C 58 11.574 15.131 -3.744 1.00 0.42 N ATOM 779 CA SER C 58 10.472 16.029 -4.188 1.00 0.44 C ATOM 780 C SER C 58 9.492 16.264 -3.036 1.00 0.43 C ATOM 781 O SER C 58 8.544 17.014 -3.161 1.00 0.72 O ATOM 782 CB SER C 58 9.733 15.379 -5.359 1.00 0.56 C ATOM 783 OG SER C 58 8.563 14.732 -4.881 1.00 0.86 O ATOM 784 HA SER C 58 10.891 16.985 -4.500 1.00 0.00 H ATOM 785 HB2 SER C 58 10.383 14.647 -5.838 1.00 0.00 H ATOM 786 HB3 SER C 58 9.455 16.145 -6.083 1.00 0.00 H ATOM 787 HG SER C 58 7.973 15.398 -4.447 1.00 0.00 H ATOM 788 H SER C 58 11.551 14.121 -3.990 1.00 0.00 H ATOM 789 N ASN C 59 9.708 15.633 -1.915 1.00 0.43 N ATOM 790 CA ASN C 59 8.781 15.830 -0.764 1.00 0.43 C ATOM 791 C ASN C 59 9.446 16.726 0.283 1.00 0.51 C ATOM 792 O ASN C 59 8.837 17.106 1.264 1.00 1.06 O ATOM 793 CB ASN C 59 8.448 14.474 -0.139 1.00 0.50 C ATOM 794 CG ASN C 59 7.089 13.997 -0.657 1.00 1.30 C ATOM 795 OD1 ASN C 59 6.552 14.558 -1.592 1.00 2.14 O ATOM 796 ND2 ASN C 59 6.507 12.978 -0.086 1.00 2.05 N ATOM 797 HA ASN C 59 7.864 16.303 -1.115 1.00 0.00 H ATOM 798 HB2 ASN C 59 9.216 13.750 -0.410 1.00 0.00 H ATOM 799 HB3 ASN C 59 8.410 14.572 0.946 1.00 0.00 H ATOM 800 HD22 ASN C 59 6.966 12.498 0.714 1.00 0.00 H ATOM 801 HD21 ASN C 59 5.584 12.646 -0.431 1.00 0.00 H ATOM 802 H ASN C 59 10.524 14.995 -1.824 1.00 0.00 H ATOM 803 N TYR C 60 10.689 17.070 0.084 1.00 0.37 N ATOM 804 CA TYR C 60 11.387 17.941 1.070 1.00 0.38 C ATOM 805 C TYR C 60 11.591 19.336 0.474 1.00 0.35 C ATOM 806 O TYR C 60 12.359 20.128 0.984 1.00 0.53 O ATOM 807 CB TYR C 60 12.751 17.335 1.411 1.00 0.46 C ATOM 808 CG TYR C 60 12.571 16.089 2.286 1.00 0.40 C ATOM 809 CD1 TYR C 60 11.312 15.659 2.658 1.00 1.12 C ATOM 810 CD2 TYR C 60 13.672 15.376 2.714 1.00 1.35 C ATOM 811 CE1 TYR C 60 11.160 14.535 3.445 1.00 1.17 C ATOM 812 CE2 TYR C 60 13.519 14.254 3.500 1.00 1.36 C ATOM 813 CZ TYR C 60 12.263 13.824 3.872 1.00 0.55 C ATOM 814 OH TYR C 60 12.113 12.702 4.659 1.00 0.69 O ATOM 815 HA TYR C 60 10.782 18.016 1.973 1.00 0.00 H ATOM 816 HB3 TYR C 60 13.348 18.071 1.950 1.00 0.00 H ATOM 817 HB2 TYR C 60 13.263 17.058 0.490 1.00 0.00 H ATOM 818 HD2 TYR C 60 14.672 15.703 2.428 1.00 0.00 H ATOM 819 HE2 TYR C 60 14.399 13.702 3.830 1.00 0.00 H ATOM 820 HE1 TYR C 60 10.161 14.207 3.731 1.00 0.00 H ATOM 821 HD1 TYR C 60 10.432 16.211 2.328 1.00 0.00 H ATOM 822 HH TYR C 60 11.150 12.543 4.826 1.00 0.00 H ATOM 823 H TYR C 60 11.192 16.736 -0.763 1.00 0.00 H ATOM 824 N VAL C 61 10.913 19.644 -0.600 1.00 0.35 N ATOM 825 CA VAL C 61 11.074 20.991 -1.222 1.00 0.35 C ATOM 826 C VAL C 61 9.746 21.445 -1.823 1.00 0.33 C ATOM 827 O VAL C 61 8.822 20.672 -1.978 1.00 0.42 O ATOM 828 CB VAL C 61 12.133 20.930 -2.325 1.00 0.39 C ATOM 829 CG1 VAL C 61 11.848 19.743 -3.245 1.00 0.53 C ATOM 830 CG2 VAL C 61 12.108 22.220 -3.144 1.00 0.49 C ATOM 831 HA VAL C 61 11.388 21.700 -0.456 1.00 0.00 H ATOM 832 HB VAL C 61 13.115 20.812 -1.867 1.00 0.00 H ATOM 833 HG11 VAL C 61 11.875 18.821 -2.665 1.00 0.00 H ATOM 834 HG12 VAL C 61 10.862 19.862 -3.695 1.00 0.00 H ATOM 835 HG13 VAL C 61 12.604 19.703 -4.029 1.00 0.00 H ATOM 836 HG21 VAL C 61 11.124 22.343 -3.597 1.00 0.00 H ATOM 837 HG22 VAL C 61 12.317 23.067 -2.491 1.00 0.00 H ATOM 838 HG23 VAL C 61 12.865 22.167 -3.926 1.00 0.00 H ATOM 839 H VAL C 61 10.262 18.951 -1.021 1.00 0.00 H ATOM 840 N ALA C 62 9.647 22.699 -2.157 1.00 0.35 N ATOM 841 CA ALA C 62 8.382 23.217 -2.751 1.00 0.34 C ATOM 842 C ALA C 62 8.672 24.510 -3.521 1.00 0.34 C ATOM 843 O ALA C 62 9.516 25.288 -3.124 1.00 0.40 O ATOM 844 CB ALA C 62 7.373 23.504 -1.638 1.00 0.39 C ATOM 845 HA ALA C 62 7.970 22.472 -3.431 1.00 0.00 H ATOM 846 HB1 ALA C 62 7.167 22.584 -1.090 1.00 0.00 H ATOM 847 HB2 ALA C 62 7.786 24.249 -0.958 1.00 0.00 H ATOM 848 HB3 ALA C 62 6.449 23.883 -2.076 1.00 0.00 H ATOM 849 H ALA C 62 10.452 23.341 -2.009 1.00 0.00 H ATOM 850 N PRO C 63 7.957 24.703 -4.603 1.00 0.40 N ATOM 851 CA PRO C 63 8.122 25.899 -5.448 1.00 0.50 C ATOM 852 C PRO C 63 7.791 27.162 -4.647 1.00 0.53 C ATOM 853 O PRO C 63 6.762 27.252 -4.008 1.00 0.73 O ATOM 854 CB PRO C 63 7.120 25.712 -6.595 1.00 0.63 C ATOM 855 CG PRO C 63 6.375 24.373 -6.358 1.00 0.61 C ATOM 856 CD PRO C 63 6.934 23.748 -5.070 1.00 0.47 C ATOM 857 HA PRO C 63 9.143 26.012 -5.811 1.00 0.00 H ATOM 858 HD3 PRO C 63 6.147 23.633 -4.325 1.00 0.00 H ATOM 859 HD2 PRO C 63 7.381 22.776 -5.277 1.00 0.00 H ATOM 860 HG3 PRO C 63 6.542 23.701 -7.200 1.00 0.00 H ATOM 861 HG2 PRO C 63 5.306 24.557 -6.248 1.00 0.00 H ATOM 862 HB2 PRO C 63 6.408 26.537 -6.604 1.00 0.00 H ATOM 863 HB3 PRO C 63 7.648 25.679 -7.548 1.00 0.00 H ATOM 864 N SER C 64 8.657 28.138 -4.675 1.00 0.66 N ATOM 865 CA SER C 64 8.390 29.392 -3.915 1.00 0.74 C ATOM 866 C SER C 64 9.479 30.421 -4.229 1.00 1.29 C ATOM 867 O SER C 64 9.205 31.329 -4.996 1.00 1.84 O ATOM 868 CB SER C 64 8.383 29.086 -2.414 1.00 1.63 C ATOM 869 OG SER C 64 9.130 30.076 -1.720 1.00 2.30 O ATOM 870 HA SER C 64 7.420 29.796 -4.205 1.00 0.00 H ATOM 871 OXT SER C 64 10.568 30.282 -3.698 1.00 2.08 O ATOM 872 HB2 SER C 64 8.830 28.107 -2.241 1.00 0.00 H ATOM 873 HB3 SER C 64 7.356 29.084 -2.049 1.00 0.00 H ATOM 874 HG SER C 64 10.063 30.076 -2.051 1.00 0.00 H ATOM 875 H SER C 64 9.533 28.041 -5.227 1.00 0.00 H TER 876 SER C 64 HETATM 877 N ALA A 1 7.243 16.975 13.056 1.00 0.24 N HETATM 878 CA ALA A 1 8.662 16.949 13.510 1.00 0.06 C HETATM 879 C ALA A 1 9.472 16.022 12.598 1.00 0.23 C HETATM 880 O ALA A 1 10.556 16.358 12.165 1.00 -0.39 O HETATM 881 N ALA A 1 8.958 14.860 12.299 1.00 -0.26 N HETATM 882 CA ALA A 1 9.707 13.920 11.414 1.00 0.14 C HETATM 883 C ALA A 1 9.246 14.106 9.967 1.00 0.21 C HETATM 884 O ALA A 1 8.096 13.892 9.640 1.00 -0.39 O HETATM 885 N ALA A 1 10.132 14.505 9.095 1.00 -0.26 N HETATM 886 CA ALA A 1 9.735 14.699 7.673 1.00 0.13 C HETATM 887 C ALA A 1 9.210 13.374 7.113 1.00 0.21 C HETATM 888 O ALA A 1 9.517 12.320 7.633 1.00 -0.39 O HETATM 889 N ALA A 1 8.435 13.466 6.063 1.00 -0.25 N HETATM 890 CA ALA A 1 7.854 12.280 5.411 1.00 0.13 C HETATM 891 C ALA A 1 8.966 11.296 5.020 1.00 0.21 C HETATM 892 O ALA A 1 10.016 11.704 4.569 1.00 -0.39 O HETATM 893 N ALA A 1 8.699 10.025 5.200 1.00 -0.25 N HETATM 894 CA ALA A 1 9.671 8.968 4.872 1.00 0.13 C HETATM 895 C ALA A 1 10.074 9.055 3.397 1.00 0.20 C HETATM 896 O ALA A 1 9.249 8.966 2.510 1.00 -0.39 O HETATM 897 N ALA A 1 11.341 9.229 3.132 1.00 -0.26 N HETATM 898 CA ALA A 1 11.801 9.322 1.718 1.00 0.13 C HETATM 899 C ALA A 1 11.195 8.170 0.904 1.00 0.21 C HETATM 900 O ALA A 1 11.313 7.023 1.286 1.00 -0.39 O HETATM 901 N ALA A 1 10.561 8.506 -0.195 1.00 -0.25 N HETATM 902 CA ALA A 1 9.932 7.502 -1.072 1.00 0.13 C HETATM 903 C ALA A 1 10.998 6.563 -1.646 1.00 0.20 C HETATM 904 O ALA A 1 12.182 6.785 -1.488 1.00 -0.39 O HETATM 905 N ALA A 1 10.589 5.517 -2.311 1.00 -0.26 N HETATM 906 CA ALA A 1 11.583 4.571 -2.891 1.00 0.13 C HETATM 907 C ALA A 1 12.039 5.087 -4.259 1.00 0.20 C HETATM 908 O ALA A 1 11.249 5.568 -5.046 1.00 -0.39 O HETATM 909 N ALA A 1 13.309 4.990 -4.549 1.00 -0.27 N HETATM 910 CA ALA A 1 13.812 5.476 -5.866 1.00 0.09 C HETATM 911 C ALA A 1 13.353 4.523 -6.971 1.00 0.06 C HETATM 912 O ALA A 1 14.187 3.790 -7.477 1.00 -0.57 O HETATM 913 OXT ALA A 1 12.177 4.542 -7.292 1.00 -0.57 O HETATM 914 CB ALA A 1 15.341 5.531 -5.843 1.00 -0.01 C HETATM 915 CG ALA A 1 15.803 6.568 -4.817 1.00 -0.02 C HETATM 916 CD ALA A 1 17.131 7.175 -5.274 1.00 0.06 C HETATM 917 NE ALA A 1 17.986 7.462 -4.087 1.00 -0.27 N HETATM 918 CZ ALA A 1 19.035 8.231 -4.207 1.00 0.29 C HETATM 919 NH1 ALA A 1 19.331 8.764 -5.363 1.00 -0.28 N HETATM 920 H76 ALA A 1 20.159 9.370 -5.454 1.00 0.26 H HETATM 921 H77 ALA A 1 18.736 8.578 -6.183 1.00 0.26 H HETATM 922 NH2 ALA A 1 19.789 8.472 -3.170 1.00 -0.28 N HETATM 923 H78 ALA A 1 19.559 8.054 -2.257 1.00 0.26 H HETATM 924 H79 ALA A 1 20.615 9.081 -3.264 1.00 0.26 H HETATM 925 H75 ALA A 1 17.749 7.054 -3.171 1.00 0.26 H HETATM 926 H73 ALA A 1 16.937 8.110 -5.820 1.00 0.07 H HETATM 927 H74 ALA A 1 17.649 6.465 -5.935 1.00 0.07 H HETATM 928 H71 ALA A 1 15.938 6.083 -3.839 1.00 0.03 H HETATM 929 H72 ALA A 1 15.046 7.362 -4.731 1.00 0.03 H HETATM 930 H69 ALA A 1 15.712 5.812 -6.840 1.00 0.03 H HETATM 931 H70 ALA A 1 15.739 4.543 -5.569 1.00 0.03 H HETATM 932 H68 ALA A 1 13.413 6.482 -6.061 1.00 0.07 H HETATM 933 H67 ALA A 1 13.944 4.590 -3.888 1.00 0.19 H HETATM 934 CB ALA A 1 10.944 3.189 -3.053 1.00 -0.01 C HETATM 935 CG ALA A 1 12.034 2.116 -3.006 1.00 -0.02 C HETATM 936 CD ALA A 1 11.823 1.226 -1.779 1.00 0.06 C HETATM 937 NE ALA A 1 12.400 -0.124 -2.038 1.00 -0.27 N HETATM 938 CZ ALA A 1 13.693 -0.307 -1.986 1.00 0.29 C HETATM 939 NH1 ALA A 1 14.487 0.689 -1.698 1.00 -0.28 N HETATM 940 H63 ALA A 1 15.505 0.541 -1.658 1.00 0.26 H HETATM 941 H64 ALA A 1 14.095 1.623 -1.511 1.00 0.26 H HETATM 942 NH2 ALA A 1 14.193 -1.490 -2.220 1.00 -0.28 N HETATM 943 H65 ALA A 1 13.569 -2.277 -2.447 1.00 0.26 H HETATM 944 H66 ALA A 1 15.212 -1.636 -2.177 1.00 0.26 H HETATM 945 H62 ALA A 1 11.778 -0.915 -2.259 1.00 0.26 H HETATM 946 H60 ALA A 1 10.746 1.131 -1.576 1.00 0.07 H HETATM 947 H61 ALA A 1 12.322 1.677 -0.909 1.00 0.07 H HETATM 948 H58 ALA A 1 13.021 2.598 -2.943 1.00 0.03 H HETATM 949 H59 ALA A 1 11.983 1.502 -3.917 1.00 0.03 H HETATM 950 H56 ALA A 1 10.420 3.138 -4.019 1.00 0.03 H HETATM 951 H57 ALA A 1 10.226 3.019 -2.237 1.00 0.03 H HETATM 952 H55 ALA A 1 12.451 4.496 -2.220 1.00 0.08 H HETATM 953 H54 ALA A 1 9.610 5.351 -2.431 1.00 0.19 H HETATM 954 CB ALA A 1 9.272 8.316 -2.193 1.00 -0.01 C HETATM 955 CG ALA A 1 9.584 9.813 -1.935 1.00 -0.03 C HETATM 956 CD ALA A 1 10.416 9.902 -0.646 1.00 0.04 C HETATM 957 H52 ALA A 1 11.401 10.348 -0.850 1.00 0.05 H HETATM 958 H53 ALA A 1 9.892 10.502 0.113 1.00 0.05 H HETATM 959 H50 ALA A 1 8.646 10.376 -1.815 1.00 0.03 H HETATM 960 H51 ALA A 1 10.155 10.227 -2.779 1.00 0.03 H HETATM 961 H48 ALA A 1 8.184 8.153 -2.184 1.00 0.03 H HETATM 962 H49 ALA A 1 9.680 8.011 -3.168 1.00 0.03 H HETATM 963 H47 ALA A 1 9.181 6.917 -0.521 1.00 0.08 H HETATM 964 CB ALA A 1 13.327 9.222 1.673 1.00 -0.01 C HETATM 965 CG ALA A 1 13.940 10.448 2.351 1.00 -0.04 C HETATM 966 CD1 ALA A 1 15.432 10.207 2.592 1.00 -0.06 C HETATM 967 H41 ALA A 1 15.872 11.089 3.080 1.00 0.02 H HETATM 968 H42 ALA A 1 15.935 10.031 1.630 1.00 0.02 H HETATM 969 H43 ALA A 1 15.561 9.328 3.240 1.00 0.02 H HETATM 970 CD2 ALA A 1 13.760 11.672 1.450 1.00 -0.06 C HETATM 971 H44 ALA A 1 12.688 11.845 1.277 1.00 0.02 H HETATM 972 H45 ALA A 1 14.263 11.496 0.488 1.00 0.02 H HETATM 973 H46 ALA A 1 14.200 12.554 1.938 1.00 0.02 H HETATM 974 H40 ALA A 1 13.437 10.624 3.313 1.00 0.03 H HETATM 975 H38 ALA A 1 13.661 9.177 0.626 1.00 0.03 H HETATM 976 H39 ALA A 1 13.650 8.312 2.200 1.00 0.03 H HETATM 977 H37 ALA A 1 11.482 10.284 1.290 1.00 0.08 H HETATM 978 H36 ALA A 1 12.003 9.300 3.878 1.00 0.19 H HETATM 979 CB ALA A 1 8.937 7.651 5.161 1.00 -0.01 C HETATM 980 CG ALA A 1 7.533 8.008 5.717 1.00 -0.03 C HETATM 981 CD ALA A 1 7.409 9.541 5.725 1.00 0.04 C HETATM 982 H34 ALA A 1 6.581 9.866 5.078 1.00 0.05 H HETATM 983 H35 ALA A 1 7.243 9.911 6.747 1.00 0.05 H HETATM 984 H32 ALA A 1 7.425 7.618 6.740 1.00 0.03 H HETATM 985 H33 ALA A 1 6.754 7.572 5.074 1.00 0.03 H HETATM 986 H30 ALA A 1 9.497 7.065 5.905 1.00 0.03 H HETATM 987 H31 ALA A 1 8.836 7.067 4.234 1.00 0.03 H HETATM 988 H29 ALA A 1 10.568 9.056 5.503 1.00 0.08 H HETATM 989 CB ALA A 1 7.140 12.828 4.167 1.00 -0.01 C HETATM 990 CG ALA A 1 7.230 14.377 4.220 1.00 -0.03 C HETATM 991 CD ALA A 1 8.089 14.754 5.436 1.00 0.04 C HETATM 992 H27 ALA A 1 8.997 15.288 5.119 1.00 0.05 H HETATM 993 H28 ALA A 1 7.518 15.384 6.134 1.00 0.05 H HETATM 994 H25 ALA A 1 6.223 14.807 4.325 1.00 0.03 H HETATM 995 H26 ALA A 1 7.697 14.757 3.299 1.00 0.03 H HETATM 996 H23 ALA A 1 6.086 12.513 4.170 1.00 0.03 H HETATM 997 H24 ALA A 1 7.632 12.454 3.257 1.00 0.03 H HETATM 998 H22 ALA A 1 7.138 11.779 6.079 1.00 0.08 H HETATM 999 CB ALA A 1 10.946 15.155 6.856 1.00 -0.02 C HETATM 1000 H19 ALA A 1 10.648 15.297 5.807 1.00 0.03 H HETATM 1001 H20 ALA A 1 11.735 14.391 6.913 1.00 0.03 H HETATM 1002 H21 ALA A 1 11.325 16.105 7.261 1.00 0.03 H HETATM 1003 H18 ALA A 1 8.945 15.462 7.613 1.00 0.08 H HETATM 1004 H17 ALA A 1 11.074 14.680 9.381 1.00 0.19 H HETATM 1005 CB ALA A 1 9.438 12.476 11.847 1.00 0.02 C HETATM 1006 CG ALA A 1 10.689 11.895 12.510 1.00 -0.04 C HETATM 1007 CD1 ALA A 1 11.794 11.557 11.750 1.00 -0.06 C HETATM 1008 CE1 ALA A 1 12.917 11.023 12.349 1.00 -0.07 C HETATM 1009 CZ ALA A 1 12.945 10.822 13.711 1.00 -0.07 C HETATM 1010 CE2 ALA A 1 11.849 11.156 14.475 1.00 -0.07 C HETATM 1011 CD2 ALA A 1 10.726 11.690 13.878 1.00 -0.06 C HETATM 1012 H13 ALA A 1 9.866 11.951 14.485 1.00 0.06 H HETATM 1013 H15 ALA A 1 11.869 10.999 15.547 1.00 0.06 H HETATM 1014 H16 ALA A 1 13.827 10.402 14.180 1.00 0.06 H HETATM 1015 H14 ALA A 1 13.779 10.761 11.746 1.00 0.06 H HETATM 1016 H12 ALA A 1 11.778 11.712 10.677 1.00 0.06 H HETATM 1017 H10 ALA A 1 9.178 11.872 10.965 1.00 0.05 H HETATM 1018 H11 ALA A 1 8.603 12.458 12.563 1.00 0.05 H HETATM 1019 H9 ALA A 1 10.784 14.130 11.486 1.00 0.08 H HETATM 1020 H8 ALA A 1 8.063 14.600 12.662 1.00 0.19 H HETATM 1021 CB ALA A 1 8.725 16.441 14.954 1.00 -0.00 C HETATM 1022 H5 ALA A 1 9.772 16.421 15.290 1.00 0.03 H HETATM 1023 H6 ALA A 1 8.305 15.426 15.004 1.00 0.03 H HETATM 1024 H7 ALA A 1 8.144 17.111 15.604 1.00 0.03 H HETATM 1025 H4 ALA A 1 9.081 17.965 13.462 1.00 0.11 H HETATM 1026 H1 ALA A 1 6.710 17.585 13.656 1.00 0.20 H HETATM 1027 H2 ALA A 1 6.860 16.044 13.098 1.00 0.20 H HETATM 1028 H3 ALA A 1 7.200 17.314 12.108 1.00 0.20 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 877 878 1026 1027 1028 CONECT 878 877 879 1021 1025 CONECT 879 878 880 881 CONECT 880 879 CONECT 881 879 882 1020 CONECT 882 881 883 1005 1019 CONECT 883 882 884 885 CONECT 884 883 CONECT 885 883 886 1004 CONECT 886 885 887 999 1003 CONECT 887 886 888 889 CONECT 888 887 CONECT 889 887 890 991 CONECT 890 889 891 989 998 CONECT 891 890 892 893 CONECT 892 891 CONECT 893 891 894 981 CONECT 894 893 895 979 988 CONECT 895 894 896 897 CONECT 896 895 CONECT 897 895 898 978 CONECT 898 897 899 964 977 CONECT 899 898 900 901 CONECT 900 899 CONECT 901 899 902 956 CONECT 902 901 903 954 963 CONECT 903 902 904 905 CONECT 904 903 CONECT 905 903 906 953 CONECT 906 905 907 934 952 CONECT 907 906 908 909 CONECT 908 907 CONECT 909 907 910 933 CONECT 910 909 911 914 932 CONECT 911 910 912 913 CONECT 912 911 CONECT 913 911 CONECT 914 910 915 930 931 CONECT 915 914 916 928 929 CONECT 916 915 917 926 927 CONECT 917 916 918 925 CONECT 918 917 919 922 CONECT 919 918 920 921 CONECT 920 919 CONECT 921 919 CONECT 922 918 923 924 CONECT 923 922 CONECT 924 922 CONECT 925 917 CONECT 926 916 CONECT 927 916 CONECT 928 915 CONECT 929 915 CONECT 930 914 CONECT 931 914 CONECT 932 910 CONECT 933 909 CONECT 934 906 935 950 951 CONECT 935 934 936 948 949 CONECT 936 935 937 946 947 CONECT 937 936 938 945 CONECT 938 937 939 942 CONECT 939 938 940 941 CONECT 940 939 CONECT 941 939 CONECT 942 938 943 944 CONECT 943 942 CONECT 944 942 CONECT 945 937 CONECT 946 936 CONECT 947 936 CONECT 948 935 CONECT 949 935 CONECT 950 934 CONECT 951 934 CONECT 952 906 CONECT 953 905 CONECT 954 902 955 961 962 CONECT 955 954 956 959 960 CONECT 956 901 955 957 958 CONECT 957 956 CONECT 958 956 CONECT 959 955 CONECT 960 955 CONECT 961 954 CONECT 962 954 CONECT 963 902 CONECT 964 898 965 975 976 CONECT 965 964 966 970 974 CONECT 966 965 967 968 969 CONECT 967 966 CONECT 968 966 CONECT 969 966 CONECT 970 965 971 972 973 CONECT 971 970 CONECT 972 970 CONECT 973 970 CONECT 974 965 CONECT 975 964 CONECT 976 964 CONECT 977 898 CONECT 978 897 CONECT 979 894 980 986 987 CONECT 980 979 981 984 985 CONECT 981 893 980 982 983 CONECT 982 981 CONECT 983 981 CONECT 984 980 CONECT 985 980 CONECT 986 979 CONECT 987 979 CONECT 988 894 CONECT 989 890 990 996 997 CONECT 990 989 991 994 995 CONECT 991 889 990 992 993 CONECT 992 991 CONECT 993 991 CONECT 994 990 CONECT 995 990 CONECT 996 989 CONECT 997 989 CONECT 998 890 CONECT 999 886 1000 1001 1002 CONECT 1000 999 CONECT 1001 999 CONECT 1002 999 CONECT 1003 886 CONECT 1004 885 CONECT 1005 882 1006 1017 1018 CONECT 1006 1005 1007 1011 CONECT 1007 1006 1008 1016 CONECT 1008 1007 1009 1015 CONECT 1009 1008 1010 1014 CONECT 1010 1009 1011 1013 CONECT 1011 1006 1010 1012 CONECT 1012 1011 CONECT 1013 1010 CONECT 1014 1009 CONECT 1015 1008 CONECT 1016 1007 CONECT 1017 1005 CONECT 1018 1005 CONECT 1019 882 CONECT 1020 881 CONECT 1021 878 1022 1023 1024 CONECT 1022 1021 CONECT 1023 1021 CONECT 1024 1021 CONECT 1025 878 CONECT 1026 877 CONECT 1027 877 CONECT 1028 877 MASTER 0 0 0 0 0 0 0 0 1027 1 156 5 END
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Related entries of code: 1prm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1a07
RCSB PDB
PDBbind
107aa, >1A07_1|Chains... at 99%
1a08
RCSB PDB
PDBbind
107aa, >1A08_1|Chains... at 99%
1a09
RCSB PDB
PDBbind
107aa, >1A09_1|Chains... at 99%
1a1b
RCSB PDB
PDBbind
107aa, >1A1B_1|Chains... at 99%
1a1c
RCSB PDB
PDBbind
107aa, >1A1C_1|Chains... at 99%
1a1e
RCSB PDB
PDBbind
107aa, >1A1E_1|Chains... at 99%
1is0
RCSB PDB
PDBbind
106aa, >1IS0_1|Chains... at 97%
1nlp
RCSB PDB
PDBbind
64aa, >1NLP_1|Chain... at 93%
1nzl
RCSB PDB
PDBbind
103aa, >1NZL_1|Chains... at 97%
1nzv
RCSB PDB
PDBbind
103aa, >1NZV_1|Chains... at 97%
1o41
RCSB PDB
PDBbind
108aa, >1O41_1|Chain... at 100%
1o42
RCSB PDB
PDBbind
108aa, >1O42_1|Chain... at 100%
1o43
RCSB PDB
PDBbind
108aa, >1O43_1|Chain... at 100%
1o44
RCSB PDB
PDBbind
108aa, >1O44_1|Chain... at 100%
1o45
RCSB PDB
PDBbind
108aa, >1O45_1|Chain... at 100%
1o46
RCSB PDB
PDBbind
108aa, >1O46_1|Chain... at 100%
1o47
RCSB PDB
PDBbind
108aa, >1O47_1|Chain... at 100%
1o48
RCSB PDB
PDBbind
108aa, >1O48_1|Chain... at 100%
1o49
RCSB PDB
PDBbind
108aa, >1O49_1|Chain... at 100%
1o4a
RCSB PDB
PDBbind
108aa, >1O4A_1|Chain... at 100%
1o4b
RCSB PDB
PDBbind
108aa, >1O4B_1|Chain... at 100%
1o4d
RCSB PDB
PDBbind
108aa, >1O4D_1|Chain... at 100%
1o4e
RCSB PDB
PDBbind
108aa, >1O4E_1|Chain... at 100%
1o4f
RCSB PDB
PDBbind
108aa, >1O4F_1|Chain... at 100%
1o4g
RCSB PDB
PDBbind
108aa, >1O4G_1|Chain... at 100%
1o4h
RCSB PDB
PDBbind
108aa, >1O4H_1|Chain... at 100%
1o4i
RCSB PDB
PDBbind
108aa, >1O4I_1|Chain... at 100%
1o4j
RCSB PDB
PDBbind
108aa, >1O4J_1|Chain... at 100%
1o4k
RCSB PDB
PDBbind
108aa, >1O4K_1|Chain... at 100%
1o4l
RCSB PDB
PDBbind
108aa, >1O4L_1|Chain... at 100%
1o4m
RCSB PDB
PDBbind
108aa, >1O4M_1|Chain... at 100%
1o4n
RCSB PDB
PDBbind
108aa, >1O4N_1|Chain... at 100%
1o4o
RCSB PDB
PDBbind
108aa, >1O4O_1|Chain... at 100%
1o4p
RCSB PDB
PDBbind
108aa, >1O4P_1|Chain... at 100%
1o4q
RCSB PDB
PDBbind
108aa, >1O4Q_1|Chain... at 100%
1o4r
RCSB PDB
PDBbind
108aa, >1O4R_1|Chain... at 100%
1prl
RCSB PDB
PDBbind
64aa, >1PRL_1|Chain... at 96%
1rlp
RCSB PDB
PDBbind
64aa, >1RLP_1|Chain... at 96%
1rlq
RCSB PDB
PDBbind
64aa, >1RLQ_1|Chain... at 96%
1shd
RCSB PDB
PDBbind
107aa, >1SHD_1|Chain... at 99%
1skj
RCSB PDB
PDBbind
113aa, >1SKJ_1|Chain... at 90%
1y57
RCSB PDB
PDBbind
452aa, >1Y57_1|Chain... at 99%
2bdf
RCSB PDB
PDBbind
279aa, >2BDF_1|Chains... at 100%
2bdj
RCSB PDB
PDBbind
279aa, >2BDJ_1|Chain... at 100%
2h8h
RCSB PDB
PDBbind
535aa, >2H8H_1|Chain... *
2hwo
RCSB PDB
PDBbind
286aa, >2HWO_1|Chains... at 97%
2hwp
RCSB PDB
PDBbind
286aa, >2HWP_1|Chains... at 97%
2oiq
RCSB PDB
PDBbind
286aa, >2OIQ_1|Chains... at 98%
2qlq
RCSB PDB
PDBbind
286aa, >2QLQ_1|Chains... at 97%
2qq7
RCSB PDB
PDBbind
286aa, >2QQ7_1|Chains... at 97%
3el7
RCSB PDB
PDBbind
286aa, >3EL7_1|Chain... at 98%
3el8
RCSB PDB
PDBbind
286aa, >3EL8_1|Chains... at 98%
3f3t
RCSB PDB
PDBbind
286aa, >3F3T_1|Chains... at 97%
3f3u
RCSB PDB
PDBbind
286aa, >3F3U_1|Chains... at 97%
3f3v
RCSB PDB
PDBbind
286aa, >3F3V_1|Chains... at 97%
3f3w
RCSB PDB
PDBbind
286aa, >3F3W_1|Chains... at 97%
3g5d
RCSB PDB
PDBbind
286aa, >3G5D_1|Chains... at 97%
3g6g
RCSB PDB
PDBbind
286aa, >3G6G_1|Chains... at 98%
3g6h
RCSB PDB
PDBbind
286aa, >3G6H_1|Chains... at 97%
3lok
RCSB PDB
PDBbind
286aa, >3LOK_1|Chains... at 97%
3svv
RCSB PDB
PDBbind
286aa, >3SVV_1|Chains... at 97%
3u4w
RCSB PDB
PDBbind
275aa, >3U4W_1|Chain... at 99%
3u51
RCSB PDB
PDBbind
275aa, >3U51_1|Chains... at 99%
3uqf
RCSB PDB
PDBbind
286aa, >3UQF_1|Chains... at 98%
3uqg
RCSB PDB
PDBbind
286aa, >3UQG_1|Chains... at 98%
4dgg
RCSB PDB
PDBbind
286aa, >4DGG_1|Chains... at 98%
4fic
RCSB PDB
PDBbind
286aa, >4FIC_1|Chains... at 98%
4hxj
RCSB PDB
PDBbind
60aa, >4HXJ_1|Chains... at 98%
4lgg
RCSB PDB
PDBbind
270aa, >4LGG_1|Chains... at 98%
4lgh
RCSB PDB
PDBbind
277aa, >4LGH_1|Chains... at 98%
4mcv
RCSB PDB
PDBbind
278aa, >4MCV_1|Chains... at 98%
4o2p
RCSB PDB
PDBbind
286aa, >4O2P_1|Chains... at 98%
4u5j
RCSB PDB
PDBbind
286aa, >4U5J_1|Chains... at 98%
4ybj
RCSB PDB
PDBbind
286aa, >4YBJ_1|Chains... at 98%
4ybk
RCSB PDB
PDBbind
286aa, >4YBK_1|Chain... at 98%
5bmm
RCSB PDB
PDBbind
286aa, >5BMM_1|Chains... at 98%
5d10
RCSB PDB
PDBbind
286aa, >5D10_1|Chains... at 97%
5d11
RCSB PDB
PDBbind
286aa, >5D11_1|Chains... at 97%
5d12
RCSB PDB
PDBbind
286aa, >5D12_1|Chains... at 97%
6f3f
RCSB PDB
PDBbind
455aa, >6F3F_1|Chain... at 98%
5xp7
RCSB PDB
PDBbind
286aa, >5XP7_1|Chains... at 98%
5teh
RCSB PDB
PDBbind
286aa, >5TEH_1|Chains... at 97%
5sys
RCSB PDB
PDBbind
286aa, >5SYS_1|Chains... at 97%
5swh
RCSB PDB
PDBbind
286aa, >5SWH_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1bmb
RCSB PDB
PDBbind
9-mer
1f90
RCSB PDB
PDBbind
9-mer
1fzk
RCSB PDB
PDBbind
9-mer
1fzo
RCSB PDB
PDBbind
9-mer
1g3f
RCSB PDB
PDBbind
9-mer
1g7p
RCSB PDB
PDBbind
9-mer
1gux
RCSB PDB
PDBbind
9-mer
1gwq
RCSB PDB
PDBbind
9-mer
1h24
RCSB PDB
PDBbind
9-mer
1inq
RCSB PDB
PDBbind
9-mer
1jp5
RCSB PDB
PDBbind
9-mer
1juf
RCSB PDB
PDBbind
9-mer
1kl3
RCSB PDB
PDBbind
9-mer
1kl5
RCSB PDB
PDBbind
9-mer
1lb6
RCSB PDB
PDBbind
9-mer
1mfg
RCSB PDB
PDBbind
9-mer
1mpa
RCSB PDB
PDBbind
9-mer
1nlo
RCSB PDB
PDBbind
9-mer
1oai
RCSB PDB
PDBbind
9-mer
1oxn
RCSB PDB
PDBbind
9-mer
1oxq
RCSB PDB
PDBbind
9-mer
1oy7
RCSB PDB
PDBbind
9-mer
1pcg
RCSB PDB
PDBbind
9-mer
1prl
RCSB PDB
PDBbind
9-mer
1rlp
RCSB PDB
PDBbind
9-mer
1rlq
RCSB PDB
PDBbind
9-mer
1rst
RCSB PDB
PDBbind
9-mer
1utc
RCSB PDB
PDBbind
9-mer
1vwf
RCSB PDB
PDBbind
9-mer
1vwl
RCSB PDB
PDBbind
9-mer
1x7q
RCSB PDB
PDBbind
9-mer
1xr8
RCSB PDB
PDBbind
9-mer
1xr9
RCSB PDB
PDBbind
9-mer
1zea
RCSB PDB
PDBbind
9-mer
2bgn
RCSB PDB
PDBbind
9-mer
2bgr
RCSB PDB
PDBbind
9-mer
2e7l
RCSB PDB
PDBbind
9-mer
2gv2
RCSB PDB
PDBbind
9-mer
2h6q
RCSB PDB
PDBbind
9-mer
2hkf
RCSB PDB
PDBbind
9-mer
2jo9
RCSB PDB
PDBbind
9-mer
2jup
RCSB PDB
PDBbind
9-mer
2kgi
RCSB PDB
PDBbind
9-mer
2khh
RCSB PDB
PDBbind
9-mer
2lnw
RCSB PDB
PDBbind
9-mer
2lsv
RCSB PDB
PDBbind
9-mer
2mpa
RCSB PDB
PDBbind
9-mer
2ms4
RCSB PDB
PDBbind
9-mer
2oei
RCSB PDB
PDBbind
9-mer
2oi9
RCSB PDB
PDBbind
9-mer
2q8y
RCSB PDB
PDBbind
9-mer
2qt5
RCSB PDB
PDBbind
9-mer
2rm0
RCSB PDB
PDBbind
9-mer
2v83
RCSB PDB
PDBbind
9-mer
2v86
RCSB PDB
PDBbind
9-mer
2vpe
RCSB PDB
PDBbind
9-mer
2w0z
RCSB PDB
PDBbind
9-mer
2x3t
RCSB PDB
PDBbind
9-mer
2x4o
RCSB PDB
PDBbind
9-mer
2x4r
RCSB PDB
PDBbind
9-mer
2x4s
RCSB PDB
PDBbind
9-mer
2x4t
RCSB PDB
PDBbind
9-mer
2x4u
RCSB PDB
PDBbind
9-mer
2xhs
RCSB PDB
PDBbind
9-mer
2ymt
RCSB PDB
PDBbind
9-mer
3ah8
RCSB PDB
PDBbind
9-mer
3bgm
RCSB PDB
PDBbind
9-mer
3bze
RCSB PDB
PDBbind
9-mer
3bzf
RCSB PDB
PDBbind
9-mer
3bzi
RCSB PDB
PDBbind
9-mer
3cii
RCSB PDB
PDBbind
9-mer
3cyy
RCSB PDB
PDBbind
9-mer
3d1f
RCSB PDB
PDBbind
9-mer
3d25
RCSB PDB
PDBbind
9-mer
3drg
RCSB PDB
PDBbind
9-mer
3ery
RCSB PDB
PDBbind
9-mer
3fbr
RCSB PDB
PDBbind
9-mer
3fn0
RCSB PDB
PDBbind
9-mer
3ft2
RCSB PDB
PDBbind
9-mer
3ft3
RCSB PDB
PDBbind
9-mer
3ft4
RCSB PDB
PDBbind
9-mer
3gl6
RCSB PDB
PDBbind
9-mer
3iet
RCSB PDB
PDBbind
9-mer
3k27
RCSB PDB
PDBbind
9-mer
3lqi
RCSB PDB
PDBbind
9-mer
3lqj
RCSB PDB
PDBbind
9-mer
3mxc
RCSB PDB
PDBbind
9-mer
3mxy
RCSB PDB
PDBbind
9-mer
3o4l
RCSB PDB
PDBbind
9-mer
3o6m
RCSB PDB
PDBbind
9-mer
3obq
RCSB PDB
PDBbind
9-mer
3obu
RCSB PDB
PDBbind
9-mer
3obx
RCSB PDB
PDBbind
9-mer
3qfd
RCSB PDB
PDBbind
9-mer
3r0h
RCSB PDB
PDBbind
9-mer
3r42
RCSB PDB
PDBbind
9-mer
3rwc
RCSB PDB
PDBbind
9-mer
3rwe
RCSB PDB
PDBbind
9-mer
3rwf
RCSB PDB
PDBbind
9-mer
3rwg
RCSB PDB
PDBbind
9-mer
3soq
RCSB PDB
PDBbind
9-mer
3sou
RCSB PDB
PDBbind
9-mer
3sov
RCSB PDB
PDBbind
9-mer
3sow
RCSB PDB
PDBbind
9-mer
3t5i
RCSB PDB
PDBbind
9-mer
3tf7
RCSB PDB
PDBbind
9-mer
3tfk
RCSB PDB
PDBbind
9-mer
3tjh
RCSB PDB
PDBbind
9-mer
3tpu
RCSB PDB
PDBbind
9-mer
3zhf
RCSB PDB
PDBbind
9-mer
4bt9
RCSB PDB
PDBbind
9-mer
4btb
RCSB PDB
PDBbind
9-mer
4cdr
RCSB PDB
PDBbind
9-mer
4ezq
RCSB PDB
PDBbind
9-mer
4ezt
RCSB PDB
PDBbind
9-mer
4fcm
RCSB PDB
PDBbind
9-mer
4fmn
RCSB PDB
PDBbind
9-mer
4i80
RCSB PDB
PDBbind
9-mer
4iho
RCSB PDB
PDBbind
9-mer
4j3u
RCSB PDB
PDBbind
9-mer
4mex
RCSB PDB
PDBbind
9-mer
4mnq
RCSB PDB
PDBbind
9-mer
4mzf
RCSB PDB
PDBbind
9-mer
4mzh
RCSB PDB
PDBbind
9-mer
4o2e
RCSB PDB
PDBbind
9-mer
4od7
RCSB PDB
PDBbind
9-mer
4pg9
RCSB PDB
PDBbind
9-mer
4pgb
RCSB PDB
PDBbind
9-mer
4pgc
RCSB PDB
PDBbind
9-mer
4pgd
RCSB PDB
PDBbind
9-mer
4pge
RCSB PDB
PDBbind
9-mer
4qbm
RCSB PDB
PDBbind
9-mer
4rh5
RCSB PDB
PDBbind
9-mer
4utn
RCSB PDB
PDBbind
9-mer
4utr
RCSB PDB
PDBbind
9-mer
4utv
RCSB PDB
PDBbind
9-mer
4utx
RCSB PDB
PDBbind
9-mer
4uu7
RCSB PDB
PDBbind
9-mer
4uu8
RCSB PDB
PDBbind
9-mer
4uua
RCSB PDB
PDBbind
9-mer
4uub
RCSB PDB
PDBbind
9-mer
4x3h
RCSB PDB
PDBbind
9-mer
4y5i
RCSB PDB
PDBbind
9-mer
4yoz
RCSB PDB
PDBbind
9-mer
5apr
RCSB PDB
PDBbind
9-mer
5brz
RCSB PDB
PDBbind
9-mer
5bs0
RCSB PDB
PDBbind
9-mer
5cvd
RCSB PDB
PDBbind
9-mer
5d0j
RCSB PDB
PDBbind
9-mer
5dms
RCSB PDB
PDBbind
9-mer
5e4w
RCSB PDB
PDBbind
9-mer
5eel
RCSB PDB
PDBbind
9-mer
5eok
RCSB PDB
PDBbind
9-mer
5fjw
RCSB PDB
PDBbind
9-mer
5gu4
RCSB PDB
PDBbind
9-mer
5hda
RCSB PDB
PDBbind
9-mer
5heb
RCSB PDB
PDBbind
9-mer
5hed
RCSB PDB
PDBbind
9-mer
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfb
RCSB PDB
PDBbind
9-mer
5hfc
RCSB PDB
PDBbind
9-mer
5hff
RCSB PDB
PDBbind
9-mer
5hjc
RCSB PDB
PDBbind
9-mer
5hkh
RCSB PDB
PDBbind
9-mer
5i8c
RCSB PDB
PDBbind
9-mer
5isz
RCSB PDB
PDBbind
9-mer
5jhd
RCSB PDB
PDBbind
9-mer
5lb7
RCSB PDB
PDBbind
9-mer
5lgs
RCSB PDB
PDBbind
9-mer
5nme
RCSB PDB
PDBbind
9-mer
5nmf
RCSB PDB
PDBbind
9-mer
5nmg
RCSB PDB
PDBbind
9-mer
5npr
RCSB PDB
PDBbind
9-mer
5nps
RCSB PDB
PDBbind
9-mer
5swf
RCSB PDB
PDBbind
9-mer
5u98
RCSB PDB
PDBbind
9-mer
5w1v
RCSB PDB
PDBbind
9-mer
5w1w
RCSB PDB
PDBbind
9-mer
5w7x
RCSB PDB
PDBbind
9-mer
5yc3
RCSB PDB
PDBbind
9-mer
5yc4
RCSB PDB
PDBbind
9-mer
5ygf
RCSB PDB
PDBbind
9-mer
5yvx
RCSB PDB
PDBbind
9-mer
5yy4
RCSB PDB
PDBbind
9-mer
5zia
RCSB PDB
PDBbind
9-mer
6bj2
RCSB PDB
PDBbind
9-mer
6bj3
RCSB PDB
PDBbind
9-mer
6c4u
RCSB PDB
PDBbind
9-mer
6evm
RCSB PDB
PDBbind
9-mer
6evn
RCSB PDB
PDBbind
9-mer
6evo
RCSB PDB
PDBbind
9-mer
6evp
RCSB PDB
PDBbind
9-mer
6fdp
RCSB PDB
PDBbind
9-mer
6fdt
RCSB PDB
PDBbind
9-mer
6qts
RCSB PDB
PDBbind
9-mer
6qtq
RCSB PDB
PDBbind
9-mer
6q38
RCSB PDB
PDBbind
9-mer
6o9c
RCSB PDB
PDBbind
9-mer
6o9b
RCSB PDB
PDBbind
9-mer
6ncp
RCSB PDB
PDBbind
9-mer
6mt6
RCSB PDB
PDBbind
9-mer
6mt5
RCSB PDB
PDBbind
9-mer
6mt4
RCSB PDB
PDBbind
9-mer
6i7a
RCSB PDB
PDBbind
9-mer
6i68
RCSB PDB
PDBbind
9-mer
6i5p
RCSB PDB
PDBbind
9-mer
6i41
RCSB PDB
PDBbind
9-mer
6hlb
RCSB PDB
PDBbind
9-mer
6eqa
RCSB PDB
PDBbind
9-mer
6d78
RCSB PDB
PDBbind
9-mer
6aee
RCSB PDB
PDBbind
9-mer
5y5w
RCSB PDB
PDBbind
9-mer
5wlg
RCSB PDB
PDBbind
9-mer
5u1q
RCSB PDB
PDBbind
9-mer
5u06
RCSB PDB
PDBbind
9-mer
5tyi
RCSB PDB
PDBbind
9-mer
5iza
RCSB PDB
PDBbind
9-mer
5iz9
RCSB PDB
PDBbind
9-mer
5iz6
RCSB PDB
PDBbind
9-mer
6a9c
RCSB PDB
PDBbind
9-mer
5b6g
RCSB PDB
PDBbind
9-mer
Entry Information
PDB ID
1prm
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
c-src (sh3 domain)
Ligand Name
9-mer
EC.Number
E.C.2.7.1.112
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=59uM
Release Year
1995
Protein/NA Sequence
Check fasta file
Primary Reference
Science v266 pp. 1241-7, 1994
Ligand Properties
Formula
C
4
8
H
8
0
N
1
5
O
1
0
Molecular Weight
1027.240
Exact Mass
1026.620
No. of atoms
153
No. of bonds
156
Polar Surface Area
403.39
LOGP Value
1.50 (
Computed with XLOGP3
)
-2.76 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 33
No. of Nitrogen and Oxygen Atoms: 25
No. of Rings: 4
Canonical SMILES
CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC[NH+]=C(N)N)CCC[NH+]=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])C)C)C
InChI String
InChI=1S/C48H77N15O10/c1-27(2)25-34(44(70)61-22-10-17-35(61)41(67)57-31(15-8-20-54-47(50)51)39(65)58-32(46(72)73)16-9-21-55-48(52)53)60-42(68)36-18-11-23-62(36)45(71)37-19-12-24-63(37)43(69)29(4)56-40(66)33(59-38(64)28(3)49)26-30-13-6-5-7-14-30/h5-7,13-14,27-29,31-37H,8-12,15-26,49H2,1-4H3,(H,56,66)(H,57,67)(H,58,65)(H,59,64)(H,60,68)(H,72,73)(H4,50,51,54)(H4,52,53,55)/p+3/t28-,29-,31-,32-,33-,34-,35-,36-,37-/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):
P00523
Entrez Gene ID
NCBI Entrez Gene ID:
396442
ASD
Information of known allosteric effects of PDB entries
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