Browse entries in the PDBbind-CN Database
HEADER 1PRL_COMPLEX COMPND 1PRL_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 13.804 29.568 -8.080 1.00 0.00 N ATOM 2 CA THR C 9 14.578 28.837 -7.038 1.00 0.00 C ATOM 3 C THR C 9 13.610 28.157 -6.067 1.00 0.00 C ATOM 4 O THR C 9 12.653 28.751 -5.612 1.00 0.00 O ATOM 5 CB THR C 9 15.460 29.823 -6.270 1.00 0.00 C ATOM 6 OG1 THR C 9 15.281 31.129 -6.800 1.00 0.00 O ATOM 7 CG2 THR C 9 16.928 29.413 -6.404 1.00 0.00 C ATOM 8 HA THR C 9 15.205 28.084 -7.514 1.00 0.00 H ATOM 9 HB THR C 9 15.179 29.816 -5.217 1.00 0.00 H ATOM 10 HG1 THR C 9 15.852 31.767 -6.303 1.00 0.00 H ATOM 11 HG23 THR C 9 17.063 28.411 -5.997 1.00 0.00 H ATOM 12 HG21 THR C 9 17.211 29.420 -7.457 1.00 0.00 H ATOM 13 HG22 THR C 9 17.552 30.117 -5.854 1.00 0.00 H ATOM 14 HN3 THR C 9 13.206 30.287 -7.625 1.00 0.00 H ATOM 15 HN2 THR C 9 13.205 28.896 -8.600 1.00 0.00 H ATOM 16 HN1 THR C 9 14.463 30.030 -8.739 1.00 0.00 H ATOM 17 N PHE C 10 13.851 26.914 -5.749 1.00 0.00 N ATOM 18 CA PHE C 10 12.944 26.197 -4.808 1.00 0.00 C ATOM 19 C PHE C 10 13.445 26.385 -3.375 1.00 0.00 C ATOM 20 O PHE C 10 14.570 26.784 -3.148 1.00 0.00 O ATOM 21 CB PHE C 10 12.931 24.707 -5.150 1.00 0.00 C ATOM 22 CG PHE C 10 11.803 24.419 -6.144 1.00 0.00 C ATOM 23 CD1 PHE C 10 11.530 25.305 -7.170 1.00 0.00 C ATOM 24 CD2 PHE C 10 11.045 23.268 -6.029 1.00 0.00 C ATOM 25 CE1 PHE C 10 10.514 25.045 -8.067 1.00 0.00 C ATOM 26 CE2 PHE C 10 10.029 23.008 -6.927 1.00 0.00 C ATOM 27 CZ PHE C 10 9.764 23.896 -7.945 1.00 0.00 C ATOM 28 HA PHE C 10 11.935 26.600 -4.897 1.00 0.00 H ATOM 29 HB2 PHE C 10 13.887 24.428 -5.594 1.00 0.00 H ATOM 30 HB3 PHE C 10 12.771 24.127 -4.241 1.00 0.00 H ATOM 31 HD2 PHE C 10 11.251 22.562 -5.225 1.00 0.00 H ATOM 32 HE2 PHE C 10 9.436 22.099 -6.830 1.00 0.00 H ATOM 33 HZ PHE C 10 8.962 23.690 -8.654 1.00 0.00 H ATOM 34 HE1 PHE C 10 10.305 25.749 -8.872 1.00 0.00 H ATOM 35 HD1 PHE C 10 12.121 26.215 -7.271 1.00 0.00 H ATOM 36 H PHE C 10 14.675 26.424 -6.152 1.00 0.00 H ATOM 37 N VAL C 11 12.618 26.103 -2.406 1.00 0.00 N ATOM 38 CA VAL C 11 13.048 26.265 -0.989 1.00 0.00 C ATOM 39 C VAL C 11 12.879 24.935 -0.252 1.00 0.00 C ATOM 40 O VAL C 11 11.865 24.276 -0.367 1.00 0.00 O ATOM 41 CB VAL C 11 12.191 27.339 -0.316 1.00 0.00 C ATOM 42 CG1 VAL C 11 12.483 27.356 1.186 1.00 0.00 C ATOM 43 CG2 VAL C 11 12.525 28.706 -0.916 1.00 0.00 C ATOM 44 HA VAL C 11 14.095 26.566 -0.957 1.00 0.00 H ATOM 45 HB VAL C 11 11.136 27.118 -0.479 1.00 0.00 H ATOM 46 HG11 VAL C 11 12.246 26.381 1.612 1.00 0.00 H ATOM 47 HG12 VAL C 11 13.538 27.578 1.347 1.00 0.00 H ATOM 48 HG13 VAL C 11 11.872 28.121 1.665 1.00 0.00 H ATOM 49 HG21 VAL C 11 13.580 28.926 -0.752 1.00 0.00 H ATOM 50 HG22 VAL C 11 12.318 28.692 -1.986 1.00 0.00 H ATOM 51 HG23 VAL C 11 11.914 29.471 -0.436 1.00 0.00 H ATOM 52 H VAL C 11 11.659 25.765 -2.623 1.00 0.00 H ATOM 53 N ALA C 12 13.862 24.536 0.505 1.00 0.00 N ATOM 54 CA ALA C 12 13.757 23.249 1.247 1.00 0.00 C ATOM 55 C ALA C 12 12.896 23.436 2.497 1.00 0.00 C ATOM 56 O ALA C 12 13.295 24.076 3.449 1.00 0.00 O ATOM 57 CB ALA C 12 15.155 22.784 1.658 1.00 0.00 C ATOM 58 HA ALA C 12 13.295 22.501 0.603 1.00 0.00 H ATOM 59 HB1 ALA C 12 15.766 22.642 0.767 1.00 0.00 H ATOM 60 HB2 ALA C 12 15.614 23.538 2.298 1.00 0.00 H ATOM 61 HB3 ALA C 12 15.078 21.842 2.201 1.00 0.00 H ATOM 62 H ALA C 12 14.720 25.117 0.591 1.00 0.00 H ATOM 63 N LEU C 13 11.716 22.878 2.501 1.00 0.00 N ATOM 64 CA LEU C 13 10.827 23.020 3.687 1.00 0.00 C ATOM 65 C LEU C 13 11.328 22.116 4.812 1.00 0.00 C ATOM 66 O LEU C 13 11.638 22.569 5.895 1.00 0.00 O ATOM 67 CB LEU C 13 9.404 22.603 3.315 1.00 0.00 C ATOM 68 CG LEU C 13 8.923 23.419 2.116 1.00 0.00 C ATOM 69 CD1 LEU C 13 7.518 22.956 1.727 1.00 0.00 C ATOM 70 CD2 LEU C 13 8.890 24.903 2.488 1.00 0.00 C ATOM 71 HA LEU C 13 10.833 24.059 4.016 1.00 0.00 H ATOM 72 HB2 LEU C 13 9.392 21.543 3.060 1.00 0.00 H ATOM 73 HB3 LEU C 13 8.742 22.779 4.162 1.00 0.00 H ATOM 74 HG LEU C 13 9.602 23.274 1.276 1.00 0.00 H ATOM 75 HD21 LEU C 13 8.209 25.051 3.326 1.00 0.00 H ATOM 76 HD22 LEU C 13 9.891 25.228 2.771 1.00 0.00 H ATOM 77 HD23 LEU C 13 8.547 25.483 1.632 1.00 0.00 H ATOM 78 HD11 LEU C 13 7.545 21.898 1.465 1.00 0.00 H ATOM 79 HD12 LEU C 13 6.842 23.106 2.568 1.00 0.00 H ATOM 80 HD13 LEU C 13 7.170 23.535 0.872 1.00 0.00 H ATOM 81 H LEU C 13 11.396 22.333 1.675 1.00 0.00 H ATOM 82 N TYR C 14 11.411 20.837 4.563 1.00 0.00 N ATOM 83 CA TYR C 14 11.891 19.905 5.621 1.00 0.00 C ATOM 84 C TYR C 14 13.371 19.594 5.385 1.00 0.00 C ATOM 85 O TYR C 14 13.810 19.425 4.265 1.00 0.00 O ATOM 86 CB TYR C 14 11.074 18.606 5.581 1.00 0.00 C ATOM 87 CG TYR C 14 9.598 18.919 5.293 1.00 0.00 C ATOM 88 CD1 TYR C 14 9.080 20.178 5.533 1.00 0.00 C ATOM 89 CD2 TYR C 14 8.770 17.950 4.765 1.00 0.00 C ATOM 90 CE1 TYR C 14 7.761 20.462 5.245 1.00 0.00 C ATOM 91 CE2 TYR C 14 7.450 18.234 4.477 1.00 0.00 C ATOM 92 CZ TYR C 14 6.935 19.492 4.715 1.00 0.00 C ATOM 93 OH TYR C 14 5.615 19.774 4.430 1.00 0.00 O ATOM 94 HA TYR C 14 11.768 20.370 6.599 1.00 0.00 H ATOM 95 HB3 TYR C 14 11.154 18.099 6.543 1.00 0.00 H ATOM 96 HB2 TYR C 14 11.465 17.958 4.797 1.00 0.00 H ATOM 97 HD2 TYR C 14 9.162 16.951 4.573 1.00 0.00 H ATOM 98 HE2 TYR C 14 6.809 17.458 4.058 1.00 0.00 H ATOM 99 HE1 TYR C 14 7.368 21.460 5.438 1.00 0.00 H ATOM 100 HD1 TYR C 14 9.720 20.954 5.954 1.00 0.00 H ATOM 101 HH TYR C 14 5.422 20.717 4.663 1.00 0.00 H ATOM 102 H TYR C 14 11.142 20.470 3.628 1.00 0.00 H ATOM 103 N ASP C 15 14.142 19.517 6.435 1.00 0.00 N ATOM 104 CA ASP C 15 15.592 19.218 6.281 1.00 0.00 C ATOM 105 C ASP C 15 15.783 17.845 5.632 1.00 0.00 C ATOM 106 O ASP C 15 15.488 16.823 6.219 1.00 0.00 O ATOM 107 CB ASP C 15 16.253 19.226 7.660 1.00 0.00 C ATOM 108 CG ASP C 15 15.324 18.556 8.675 1.00 0.00 C ATOM 109 OD1 ASP C 15 14.408 17.872 8.249 1.00 0.00 O ATOM 110 OD2 ASP C 15 15.544 18.741 9.861 1.00 0.00 O ATOM 111 HA ASP C 15 16.049 19.975 5.644 1.00 0.00 H ATOM 112 HB2 ASP C 15 17.196 18.681 7.615 1.00 0.00 H ATOM 113 HB3 ASP C 15 16.444 20.255 7.966 1.00 0.00 H ATOM 114 H ASP C 15 13.742 19.665 7.383 1.00 0.00 H ATOM 115 N TYR C 16 16.275 17.816 4.422 1.00 0.00 N ATOM 116 CA TYR C 16 16.488 16.513 3.730 1.00 0.00 C ATOM 117 C TYR C 16 17.825 15.919 4.181 1.00 0.00 C ATOM 118 O TYR C 16 18.878 16.477 3.932 1.00 0.00 O ATOM 119 CB TYR C 16 16.511 16.743 2.215 1.00 0.00 C ATOM 120 CG TYR C 16 17.117 15.525 1.510 1.00 0.00 C ATOM 121 CD1 TYR C 16 16.780 14.245 1.902 1.00 0.00 C ATOM 122 CD2 TYR C 16 18.011 15.692 0.470 1.00 0.00 C ATOM 123 CE1 TYR C 16 17.328 13.150 1.265 1.00 0.00 C ATOM 124 CE2 TYR C 16 18.558 14.596 -0.167 1.00 0.00 C ATOM 125 CZ TYR C 16 18.220 13.317 0.225 1.00 0.00 C ATOM 126 OH TYR C 16 18.767 12.221 -0.412 1.00 0.00 O ATOM 127 HA TYR C 16 15.681 15.824 3.979 1.00 0.00 H ATOM 128 HB3 TYR C 16 17.111 17.625 1.992 1.00 0.00 H ATOM 129 HB2 TYR C 16 15.493 16.898 1.857 1.00 0.00 H ATOM 130 HD2 TYR C 16 18.287 16.697 0.150 1.00 0.00 H ATOM 131 HE2 TYR C 16 19.262 14.742 -0.986 1.00 0.00 H ATOM 132 HE1 TYR C 16 17.054 12.145 1.586 1.00 0.00 H ATOM 133 HD1 TYR C 16 16.076 14.098 2.721 1.00 0.00 H ATOM 134 HH TYR C 16 19.752 12.243 -0.317 1.00 0.00 H ATOM 135 H TYR C 16 16.519 18.705 3.940 1.00 0.00 H ATOM 136 N GLU C 17 17.790 14.793 4.841 1.00 0.00 N ATOM 137 CA GLU C 17 19.055 14.159 5.309 1.00 0.00 C ATOM 138 C GLU C 17 19.444 13.034 4.349 1.00 0.00 C ATOM 139 O GLU C 17 18.878 11.959 4.374 1.00 0.00 O ATOM 140 CB GLU C 17 18.844 13.585 6.712 1.00 0.00 C ATOM 141 CG GLU C 17 20.021 12.679 7.079 1.00 0.00 C ATOM 142 CD GLU C 17 19.716 11.955 8.392 1.00 0.00 C ATOM 143 OE1 GLU C 17 18.596 12.071 8.861 1.00 0.00 O ATOM 144 OE2 GLU C 17 20.607 11.297 8.903 1.00 0.00 O ATOM 145 HA GLU C 17 19.851 14.904 5.336 1.00 0.00 H ATOM 146 HB2 GLU C 17 18.776 14.401 7.432 1.00 0.00 H ATOM 147 HB3 GLU C 17 17.920 13.006 6.732 1.00 0.00 H ATOM 148 HG2 GLU C 17 20.177 11.946 6.287 1.00 0.00 H ATOM 149 HG3 GLU C 17 20.921 13.282 7.197 1.00 0.00 H ATOM 150 H GLU C 17 16.877 14.337 5.041 1.00 0.00 H ATOM 151 N SER C 18 20.410 13.270 3.502 1.00 0.00 N ATOM 152 CA SER C 18 20.834 12.213 2.543 1.00 0.00 C ATOM 153 C SER C 18 21.663 11.157 3.276 1.00 0.00 C ATOM 154 O SER C 18 22.335 11.445 4.247 1.00 0.00 O ATOM 155 CB SER C 18 21.678 12.843 1.433 1.00 0.00 C ATOM 156 OG SER C 18 20.837 13.214 0.351 1.00 0.00 O ATOM 157 HA SER C 18 19.952 11.743 2.109 1.00 0.00 H ATOM 158 HB2 SER C 18 22.419 12.123 1.087 1.00 0.00 H ATOM 159 HB3 SER C 18 22.185 13.727 1.819 1.00 0.00 H ATOM 160 HG SER C 18 20.378 12.410 0.001 1.00 0.00 H ATOM 161 H SER C 18 20.883 14.196 3.498 1.00 0.00 H ATOM 162 N ARG C 19 21.619 9.935 2.821 1.00 0.00 N ATOM 163 CA ARG C 19 22.404 8.860 3.492 1.00 0.00 C ATOM 164 C ARG C 19 23.706 8.626 2.723 1.00 0.00 C ATOM 165 O ARG C 19 24.619 7.987 3.207 1.00 0.00 O ATOM 166 CB ARG C 19 21.586 7.567 3.515 1.00 0.00 C ATOM 167 CG ARG C 19 21.355 7.135 4.965 1.00 0.00 C ATOM 168 CD ARG C 19 22.454 6.158 5.388 1.00 0.00 C ATOM 169 NE ARG C 19 22.512 6.090 6.876 1.00 0.00 N ATOM 170 CZ ARG C 19 21.620 5.400 7.535 1.00 0.00 C ATOM 171 NH1 ARG C 19 20.673 4.768 6.895 1.00 0.00 N ATOM 172 NH2 ARG C 19 21.675 5.341 8.838 1.00 0.00 N ATOM 173 HA ARG C 19 22.633 9.162 4.514 1.00 0.00 H ATOM 174 HB2 ARG C 19 20.625 7.736 3.028 1.00 0.00 H ATOM 175 HB3 ARG C 19 22.128 6.784 2.984 1.00 0.00 H ATOM 176 HG2 ARG C 19 21.378 8.011 5.613 1.00 0.00 H ATOM 177 HG3 ARG C 19 20.384 6.648 5.049 1.00 0.00 H ATOM 178 HD2 ARG C 19 23.414 6.501 5.002 1.00 0.00 H ATOM 179 HD3 ARG C 19 22.235 5.168 4.987 1.00 0.00 H ATOM 180 HE ARG C 19 23.264 6.593 7.390 1.00 0.00 H ATOM 181 HH12 ARG C 19 19.965 4.220 7.423 1.00 0.00 H ATOM 182 HH11 ARG C 19 20.627 4.813 5.857 1.00 0.00 H ATOM 183 HH22 ARG C 19 20.965 4.792 9.364 1.00 0.00 H ATOM 184 HH21 ARG C 19 22.428 5.843 9.350 1.00 0.00 H ATOM 185 H ARG C 19 21.036 9.711 1.990 1.00 0.00 H ATOM 186 N THR C 20 23.800 9.139 1.525 1.00 0.00 N ATOM 187 CA THR C 20 25.043 8.945 0.727 1.00 0.00 C ATOM 188 C THR C 20 25.689 10.305 0.452 1.00 0.00 C ATOM 189 O THR C 20 25.149 11.338 0.793 1.00 0.00 O ATOM 190 CB THR C 20 24.698 8.263 -0.599 1.00 0.00 C ATOM 191 OG1 THR C 20 25.889 8.061 -1.347 1.00 0.00 O ATOM 192 CG2 THR C 20 23.735 9.144 -1.397 1.00 0.00 C ATOM 193 HA THR C 20 25.740 8.319 1.285 1.00 0.00 H ATOM 194 HB THR C 20 24.224 7.302 -0.400 1.00 0.00 H ATOM 195 HG1 THR C 20 25.668 7.620 -2.205 1.00 0.00 H ATOM 196 HG23 THR C 20 22.823 9.297 -0.821 1.00 0.00 H ATOM 197 HG21 THR C 20 24.206 10.106 -1.597 1.00 0.00 H ATOM 198 HG22 THR C 20 23.493 8.654 -2.340 1.00 0.00 H ATOM 199 H THR C 20 23.007 9.683 1.129 1.00 0.00 H ATOM 200 N GLU C 21 26.841 10.313 -0.161 1.00 0.00 N ATOM 201 CA GLU C 21 27.519 11.604 -0.455 1.00 0.00 C ATOM 202 C GLU C 21 27.016 12.159 -1.790 1.00 0.00 C ATOM 203 O GLU C 21 27.155 13.333 -2.077 1.00 0.00 O ATOM 204 CB GLU C 21 29.028 11.375 -0.533 1.00 0.00 C ATOM 205 CG GLU C 21 29.318 10.097 -1.324 1.00 0.00 C ATOM 206 CD GLU C 21 30.790 10.080 -1.741 1.00 0.00 C ATOM 207 OE1 GLU C 21 31.619 9.755 -0.908 1.00 0.00 O ATOM 208 OE2 GLU C 21 31.064 10.393 -2.889 1.00 0.00 O ATOM 209 HA GLU C 21 27.297 12.319 0.337 1.00 0.00 H ATOM 210 HB2 GLU C 21 29.498 12.223 -1.031 1.00 0.00 H ATOM 211 HB3 GLU C 21 29.432 11.277 0.475 1.00 0.00 H ATOM 212 HG2 GLU C 21 29.106 9.228 -0.701 1.00 0.00 H ATOM 213 HG3 GLU C 21 28.688 10.068 -2.213 1.00 0.00 H ATOM 214 H GLU C 21 27.285 9.416 -0.444 1.00 0.00 H ATOM 215 N THR C 22 26.433 11.329 -2.611 1.00 0.00 N ATOM 216 CA THR C 22 25.925 11.815 -3.925 1.00 0.00 C ATOM 217 C THR C 22 24.949 12.969 -3.696 1.00 0.00 C ATOM 218 O THR C 22 25.248 14.114 -3.975 1.00 0.00 O ATOM 219 CB THR C 22 25.199 10.678 -4.648 1.00 0.00 C ATOM 220 OG1 THR C 22 26.022 9.519 -4.652 1.00 0.00 O ATOM 221 CG2 THR C 22 24.898 11.100 -6.087 1.00 0.00 C ATOM 222 HA THR C 22 26.763 12.156 -4.532 1.00 0.00 H ATOM 223 HB THR C 22 24.264 10.456 -4.134 1.00 0.00 H ATOM 224 HG1 THR C 22 25.552 8.784 -5.120 1.00 0.00 H ATOM 225 HG23 THR C 22 24.267 11.989 -6.079 1.00 0.00 H ATOM 226 HG21 THR C 22 25.833 11.321 -6.603 1.00 0.00 H ATOM 227 HG22 THR C 22 24.381 10.290 -6.601 1.00 0.00 H ATOM 228 H THR C 22 26.323 10.329 -2.348 1.00 0.00 H ATOM 229 N ASP C 23 23.783 12.676 -3.192 1.00 0.00 N ATOM 230 CA ASP C 23 22.785 13.753 -2.944 1.00 0.00 C ATOM 231 C ASP C 23 23.201 14.549 -1.707 1.00 0.00 C ATOM 232 O ASP C 23 23.438 13.993 -0.653 1.00 0.00 O ATOM 233 CB ASP C 23 21.409 13.127 -2.711 1.00 0.00 C ATOM 234 CG ASP C 23 21.258 11.888 -3.596 1.00 0.00 C ATOM 235 OD1 ASP C 23 21.906 11.841 -4.630 1.00 0.00 O ATOM 236 OD2 ASP C 23 20.499 11.008 -3.227 1.00 0.00 O ATOM 237 HA ASP C 23 22.739 14.417 -3.807 1.00 0.00 H ATOM 238 HB2 ASP C 23 21.312 12.840 -1.664 1.00 0.00 H ATOM 239 HB3 ASP C 23 20.633 13.850 -2.962 1.00 0.00 H ATOM 240 H ASP C 23 23.549 11.689 -2.963 1.00 0.00 H ATOM 241 N LEU C 24 23.293 15.845 -1.822 1.00 0.00 N ATOM 242 CA LEU C 24 23.695 16.662 -0.643 1.00 0.00 C ATOM 243 C LEU C 24 22.498 16.821 0.289 1.00 0.00 C ATOM 244 O LEU C 24 21.359 16.667 -0.109 1.00 0.00 O ATOM 245 CB LEU C 24 24.171 18.048 -1.091 1.00 0.00 C ATOM 246 CG LEU C 24 24.795 17.967 -2.485 1.00 0.00 C ATOM 247 CD1 LEU C 24 25.465 19.302 -2.819 1.00 0.00 C ATOM 248 CD2 LEU C 24 25.841 16.851 -2.523 1.00 0.00 C ATOM 249 HA LEU C 24 24.510 16.158 -0.125 1.00 0.00 H ATOM 250 HB2 LEU C 24 23.321 18.730 -1.116 1.00 0.00 H ATOM 251 HB3 LEU C 24 24.913 18.420 -0.385 1.00 0.00 H ATOM 252 HG LEU C 24 24.015 17.753 -3.216 1.00 0.00 H ATOM 253 HD21 LEU C 24 26.621 17.061 -1.791 1.00 0.00 H ATOM 254 HD22 LEU C 24 25.364 15.900 -2.286 1.00 0.00 H ATOM 255 HD23 LEU C 24 26.280 16.800 -3.519 1.00 0.00 H ATOM 256 HD11 LEU C 24 24.719 20.097 -2.799 1.00 0.00 H ATOM 257 HD12 LEU C 24 26.241 19.512 -2.083 1.00 0.00 H ATOM 258 HD13 LEU C 24 25.910 19.245 -3.812 1.00 0.00 H ATOM 259 H LEU C 24 23.087 16.305 -2.732 1.00 0.00 H ATOM 260 N SER C 25 22.746 17.128 1.527 1.00 0.00 N ATOM 261 CA SER C 25 21.628 17.300 2.492 1.00 0.00 C ATOM 262 C SER C 25 21.369 18.793 2.696 1.00 0.00 C ATOM 263 O SER C 25 22.282 19.595 2.687 1.00 0.00 O ATOM 264 CB SER C 25 22.008 16.660 3.828 1.00 0.00 C ATOM 265 OG SER C 25 23.310 16.104 3.735 1.00 0.00 O ATOM 266 HA SER C 25 20.729 16.821 2.105 1.00 0.00 H ATOM 267 HB2 SER C 25 21.293 15.873 4.070 1.00 0.00 H ATOM 268 HB3 SER C 25 21.992 17.418 4.611 1.00 0.00 H ATOM 269 HG SER C 25 23.554 15.690 4.601 1.00 0.00 H ATOM 270 H SER C 25 23.729 17.254 1.844 1.00 0.00 H ATOM 271 N PHE C 26 20.136 19.177 2.882 1.00 0.00 N ATOM 272 CA PHE C 26 19.841 20.623 3.086 1.00 0.00 C ATOM 273 C PHE C 26 18.900 20.797 4.278 1.00 0.00 C ATOM 274 O PHE C 26 17.999 20.013 4.492 1.00 0.00 O ATOM 275 CB PHE C 26 19.188 21.208 1.827 1.00 0.00 C ATOM 276 CG PHE C 26 17.952 20.397 1.445 1.00 0.00 C ATOM 277 CD1 PHE C 26 16.781 20.550 2.155 1.00 0.00 C ATOM 278 CD2 PHE C 26 17.981 19.525 0.371 1.00 0.00 C ATOM 279 CE1 PHE C 26 15.649 19.844 1.801 1.00 0.00 C ATOM 280 CE2 PHE C 26 16.849 18.819 0.015 1.00 0.00 C ATOM 281 CZ PHE C 26 15.684 18.978 0.730 1.00 0.00 C ATOM 282 HA PHE C 26 20.775 21.150 3.283 1.00 0.00 H ATOM 283 HB2 PHE C 26 18.896 22.240 2.020 1.00 0.00 H ATOM 284 HB3 PHE C 26 19.904 21.182 1.005 1.00 0.00 H ATOM 285 HD2 PHE C 26 18.902 19.395 -0.197 1.00 0.00 H ATOM 286 HE2 PHE C 26 16.878 18.135 -0.833 1.00 0.00 H ATOM 287 HZ PHE C 26 14.791 18.420 0.450 1.00 0.00 H ATOM 288 HE1 PHE C 26 14.727 19.972 2.369 1.00 0.00 H ATOM 289 HD1 PHE C 26 16.748 21.234 3.003 1.00 0.00 H ATOM 290 H PHE C 26 19.365 18.479 2.888 1.00 0.00 H ATOM 291 N LYS C 27 19.108 21.822 5.059 1.00 0.00 N ATOM 292 CA LYS C 27 18.230 22.052 6.240 1.00 0.00 C ATOM 293 C LYS C 27 17.038 22.914 5.824 1.00 0.00 C ATOM 294 O LYS C 27 16.824 23.174 4.655 1.00 0.00 O ATOM 295 CB LYS C 27 19.024 22.770 7.332 1.00 0.00 C ATOM 296 CG LYS C 27 20.325 22.009 7.600 1.00 0.00 C ATOM 297 CD LYS C 27 20.761 22.242 9.048 1.00 0.00 C ATOM 298 CE LYS C 27 21.287 20.932 9.639 1.00 0.00 C ATOM 299 NZ LYS C 27 21.629 21.139 11.075 1.00 0.00 N ATOM 300 HA LYS C 27 17.872 21.096 6.622 1.00 0.00 H ATOM 301 HB2 LYS C 27 19.256 23.784 7.006 1.00 0.00 H ATOM 302 HB3 LYS C 27 18.431 22.810 8.246 1.00 0.00 H ATOM 303 HG2 LYS C 27 20.164 20.944 7.435 1.00 0.00 H ATOM 304 HG3 LYS C 27 21.102 22.367 6.924 1.00 0.00 H ATOM 305 HD2 LYS C 27 21.549 22.995 9.074 1.00 0.00 H ATOM 306 HD3 LYS C 27 19.909 22.589 9.633 1.00 0.00 H ATOM 307 HE2 LYS C 27 22.178 20.619 9.094 1.00 0.00 H ATOM 308 HE3 LYS C 27 20.521 20.161 9.555 1.00 0.00 H ATOM 309 HZ1 LYS C 27 22.360 21.874 11.153 1.00 0.00 H ATOM 310 HZ2 LYS C 27 20.778 21.438 11.593 1.00 0.00 H ATOM 311 HZ3 LYS C 27 21.986 20.249 11.477 1.00 0.00 H ATOM 312 H LYS C 27 19.888 22.479 4.856 1.00 0.00 H ATOM 313 N LYS C 28 16.260 23.361 6.769 1.00 0.00 N ATOM 314 CA LYS C 28 15.082 24.206 6.427 1.00 0.00 C ATOM 315 C LYS C 28 15.540 25.645 6.178 1.00 0.00 C ATOM 316 O LYS C 28 15.795 26.393 7.101 1.00 0.00 O ATOM 317 CB LYS C 28 14.084 24.182 7.585 1.00 0.00 C ATOM 318 CG LYS C 28 12.966 25.191 7.314 1.00 0.00 C ATOM 319 CD LYS C 28 11.707 24.774 8.077 1.00 0.00 C ATOM 320 CE LYS C 28 10.838 26.005 8.335 1.00 0.00 C ATOM 321 NZ LYS C 28 10.651 26.184 9.802 1.00 0.00 N ATOM 322 HA LYS C 28 14.605 23.816 5.528 1.00 0.00 H ATOM 323 HB2 LYS C 28 13.658 23.183 7.678 1.00 0.00 H ATOM 324 HB3 LYS C 28 14.595 24.445 8.511 1.00 0.00 H ATOM 325 HG2 LYS C 28 13.281 26.181 7.645 1.00 0.00 H ATOM 326 HG3 LYS C 28 12.752 25.218 6.246 1.00 0.00 H ATOM 327 HD2 LYS C 28 11.146 24.050 7.486 1.00 0.00 H ATOM 328 HD3 LYS C 28 11.990 24.323 9.028 1.00 0.00 H ATOM 329 HE2 LYS C 28 9.867 25.871 7.859 1.00 0.00 H ATOM 330 HE3 LYS C 28 11.326 26.887 7.920 1.00 0.00 H ATOM 331 HZ1 LYS C 28 10.185 25.342 10.196 1.00 0.00 H ATOM 332 HZ2 LYS C 28 11.578 26.313 10.255 1.00 0.00 H ATOM 333 HZ3 LYS C 28 10.060 27.022 9.975 1.00 0.00 H ATOM 334 H LYS C 28 16.462 23.128 7.762 1.00 0.00 H ATOM 335 N GLY C 29 15.646 26.038 4.937 1.00 0.00 N ATOM 336 CA GLY C 29 16.087 27.428 4.631 1.00 0.00 C ATOM 337 C GLY C 29 17.028 27.412 3.426 1.00 0.00 C ATOM 338 O GLY C 29 17.173 28.394 2.724 1.00 0.00 O ATOM 339 HA3 GLY C 29 16.609 27.842 5.494 1.00 0.00 H ATOM 340 HA2 GLY C 29 15.217 28.044 4.404 1.00 0.00 H ATOM 341 H GLY C 29 15.423 25.381 4.162 1.00 0.00 H ATOM 342 N GLU C 30 17.671 26.304 3.176 1.00 0.00 N ATOM 343 CA GLU C 30 18.602 26.229 2.016 1.00 0.00 C ATOM 344 C GLU C 30 17.798 26.263 0.714 1.00 0.00 C ATOM 345 O GLU C 30 16.760 25.643 0.597 1.00 0.00 O ATOM 346 CB GLU C 30 19.401 24.927 2.087 1.00 0.00 C ATOM 347 CG GLU C 30 20.210 24.755 0.801 1.00 0.00 C ATOM 348 CD GLU C 30 21.635 24.319 1.150 1.00 0.00 C ATOM 349 OE1 GLU C 30 22.170 24.834 2.117 1.00 0.00 O ATOM 350 OE2 GLU C 30 22.165 23.478 0.444 1.00 0.00 O ATOM 351 HA GLU C 30 19.286 27.077 2.044 1.00 0.00 H ATOM 352 HB2 GLU C 30 20.078 24.962 2.941 1.00 0.00 H ATOM 353 HB3 GLU C 30 18.717 24.086 2.201 1.00 0.00 H ATOM 354 HG2 GLU C 30 19.741 23.996 0.175 1.00 0.00 H ATOM 355 HG3 GLU C 30 20.241 25.702 0.261 1.00 0.00 H ATOM 356 H GLU C 30 17.533 25.474 3.787 1.00 0.00 H ATOM 357 N ARG C 31 18.270 26.982 -0.266 1.00 0.00 N ATOM 358 CA ARG C 31 17.533 27.056 -1.559 1.00 0.00 C ATOM 359 C ARG C 31 18.293 26.263 -2.625 1.00 0.00 C ATOM 360 O ARG C 31 19.500 26.135 -2.574 1.00 0.00 O ATOM 361 CB ARG C 31 17.415 28.515 -1.998 1.00 0.00 C ATOM 362 CG ARG C 31 16.757 29.332 -0.885 1.00 0.00 C ATOM 363 CD ARG C 31 17.518 30.647 -0.697 1.00 0.00 C ATOM 364 NE ARG C 31 17.810 31.245 -2.030 1.00 0.00 N ATOM 365 CZ ARG C 31 18.307 32.451 -2.112 1.00 0.00 C ATOM 366 NH1 ARG C 31 18.551 33.137 -1.028 1.00 0.00 N ATOM 367 NH2 ARG C 31 18.561 32.971 -3.282 1.00 0.00 N ATOM 368 HA ARG C 31 16.536 26.634 -1.432 1.00 0.00 H ATOM 369 HB2 ARG C 31 18.408 28.914 -2.203 1.00 0.00 H ATOM 370 HB3 ARG C 31 16.807 28.575 -2.901 1.00 0.00 H ATOM 371 HG2 ARG C 31 15.723 29.546 -1.154 1.00 0.00 H ATOM 372 HG3 ARG C 31 16.779 28.763 0.045 1.00 0.00 H ATOM 373 HD2 ARG C 31 18.453 30.454 -0.172 1.00 0.00 H ATOM 374 HD3 ARG C 31 16.911 31.339 -0.113 1.00 0.00 H ATOM 375 HE ARG C 31 17.618 30.702 -2.896 1.00 0.00 H ATOM 376 HH12 ARG C 31 18.947 34.096 -1.098 1.00 0.00 H ATOM 377 HH11 ARG C 31 18.350 32.724 -0.095 1.00 0.00 H ATOM 378 HH22 ARG C 31 18.956 33.930 -3.350 1.00 0.00 H ATOM 379 HH21 ARG C 31 18.368 32.426 -4.146 1.00 0.00 H ATOM 380 H ARG C 31 19.161 27.504 -0.145 1.00 0.00 H ATOM 381 N LEU C 32 17.595 25.730 -3.590 1.00 0.00 N ATOM 382 CA LEU C 32 18.280 24.948 -4.658 1.00 0.00 C ATOM 383 C LEU C 32 17.544 25.146 -5.986 1.00 0.00 C ATOM 384 O LEU C 32 16.330 25.193 -6.032 1.00 0.00 O ATOM 385 CB LEU C 32 18.271 23.463 -4.286 1.00 0.00 C ATOM 386 CG LEU C 32 18.955 23.273 -2.930 1.00 0.00 C ATOM 387 CD1 LEU C 32 17.908 23.354 -1.817 1.00 0.00 C ATOM 388 CD2 LEU C 32 19.636 21.905 -2.891 1.00 0.00 C ATOM 389 HA LEU C 32 19.309 25.292 -4.758 1.00 0.00 H ATOM 390 HB2 LEU C 32 17.242 23.109 -4.227 1.00 0.00 H ATOM 391 HB3 LEU C 32 18.806 22.894 -5.046 1.00 0.00 H ATOM 392 HG LEU C 32 19.701 24.054 -2.785 1.00 0.00 H ATOM 393 HD21 LEU C 32 18.889 21.124 -3.035 1.00 0.00 H ATOM 394 HD22 LEU C 32 20.380 21.848 -3.685 1.00 0.00 H ATOM 395 HD23 LEU C 32 20.123 21.770 -1.925 1.00 0.00 H ATOM 396 HD11 LEU C 32 17.422 24.329 -1.847 1.00 0.00 H ATOM 397 HD12 LEU C 32 17.163 22.571 -1.963 1.00 0.00 H ATOM 398 HD13 LEU C 32 18.395 23.219 -0.851 1.00 0.00 H ATOM 399 H LEU C 32 16.562 25.851 -3.614 1.00 0.00 H ATOM 400 N GLN C 33 18.267 25.263 -7.065 1.00 0.00 N ATOM 401 CA GLN C 33 17.606 25.458 -8.387 1.00 0.00 C ATOM 402 C GLN C 33 17.116 24.109 -8.918 1.00 0.00 C ATOM 403 O GLN C 33 17.863 23.154 -8.999 1.00 0.00 O ATOM 404 CB GLN C 33 18.607 26.061 -9.376 1.00 0.00 C ATOM 405 CG GLN C 33 18.968 27.481 -8.935 1.00 0.00 C ATOM 406 CD GLN C 33 19.881 28.123 -9.981 1.00 0.00 C ATOM 407 OE1 GLN C 33 21.042 27.778 -10.083 1.00 0.00 O ATOM 408 NE2 GLN C 33 19.404 29.048 -10.768 1.00 0.00 N ATOM 409 HA GLN C 33 16.758 26.133 -8.271 1.00 0.00 H ATOM 410 HB2 GLN C 33 19.508 25.448 -9.401 1.00 0.00 H ATOM 411 HB3 GLN C 33 18.162 26.091 -10.371 1.00 0.00 H ATOM 412 HG2 GLN C 33 18.058 28.073 -8.834 1.00 0.00 H ATOM 413 HG3 GLN C 33 19.484 27.444 -7.976 1.00 0.00 H ATOM 414 HE22 GLN C 33 18.411 29.343 -10.681 1.00 0.00 H ATOM 415 HE21 GLN C 33 20.017 29.490 -11.482 1.00 0.00 H ATOM 416 H GLN C 33 19.304 25.220 -7.003 1.00 0.00 H ATOM 417 N ILE C 34 15.865 24.023 -9.281 1.00 0.00 N ATOM 418 CA ILE C 34 15.329 22.735 -9.806 1.00 0.00 C ATOM 419 C ILE C 34 15.929 22.462 -11.187 1.00 0.00 C ATOM 420 O ILE C 34 16.039 23.345 -12.013 1.00 0.00 O ATOM 421 CB ILE C 34 13.807 22.824 -9.919 1.00 0.00 C ATOM 422 CG1 ILE C 34 13.210 23.163 -8.552 1.00 0.00 C ATOM 423 CG2 ILE C 34 13.254 21.480 -10.397 1.00 0.00 C ATOM 424 CD1 ILE C 34 13.774 22.207 -7.500 1.00 0.00 C ATOM 425 HA ILE C 34 15.595 21.925 -9.126 1.00 0.00 H ATOM 426 HB ILE C 34 13.541 23.603 -10.633 1.00 0.00 H ATOM 427 HG12 ILE C 34 13.467 24.189 -8.287 1.00 0.00 H ATOM 428 HG13 ILE C 34 12.126 23.060 -8.593 1.00 0.00 H ATOM 429 HD11 ILE C 34 13.516 21.182 -7.767 1.00 0.00 H ATOM 430 HD12 ILE C 34 14.858 22.311 -7.460 1.00 0.00 H ATOM 431 HD13 ILE C 34 13.349 22.449 -6.526 1.00 0.00 H ATOM 432 HG21 ILE C 34 13.679 21.240 -11.372 1.00 0.00 H ATOM 433 HG22 ILE C 34 13.522 20.703 -9.681 1.00 0.00 H ATOM 434 HG23 ILE C 34 12.169 21.543 -10.478 1.00 0.00 H ATOM 435 H ILE C 34 15.243 24.853 -9.204 1.00 0.00 H ATOM 436 N VAL C 35 16.318 21.242 -11.444 1.00 0.00 N ATOM 437 CA VAL C 35 16.910 20.914 -12.772 1.00 0.00 C ATOM 438 C VAL C 35 15.838 20.304 -13.672 1.00 0.00 C ATOM 439 O VAL C 35 15.611 20.752 -14.778 1.00 0.00 O ATOM 440 CB VAL C 35 18.051 19.913 -12.588 1.00 0.00 C ATOM 441 CG1 VAL C 35 18.516 19.413 -13.957 1.00 0.00 C ATOM 442 CG2 VAL C 35 19.219 20.595 -11.871 1.00 0.00 C ATOM 443 HA VAL C 35 17.295 21.824 -13.232 1.00 0.00 H ATOM 444 HB VAL C 35 17.701 19.070 -11.992 1.00 0.00 H ATOM 445 HG11 VAL C 35 17.684 18.927 -14.467 1.00 0.00 H ATOM 446 HG12 VAL C 35 18.865 20.257 -14.552 1.00 0.00 H ATOM 447 HG13 VAL C 35 19.329 18.700 -13.825 1.00 0.00 H ATOM 448 HG21 VAL C 35 19.568 21.438 -12.468 1.00 0.00 H ATOM 449 HG22 VAL C 35 18.887 20.951 -10.896 1.00 0.00 H ATOM 450 HG23 VAL C 35 20.031 19.880 -11.741 1.00 0.00 H ATOM 451 H VAL C 35 16.215 20.500 -10.723 1.00 0.00 H ATOM 452 N ASN C 36 15.177 19.285 -13.204 1.00 0.00 N ATOM 453 CA ASN C 36 14.116 18.640 -14.029 1.00 0.00 C ATOM 454 C ASN C 36 13.183 17.837 -13.121 1.00 0.00 C ATOM 455 O ASN C 36 13.051 18.117 -11.947 1.00 0.00 O ATOM 456 CB ASN C 36 14.764 17.705 -15.052 1.00 0.00 C ATOM 457 CG ASN C 36 13.900 17.650 -16.313 1.00 0.00 C ATOM 458 OD1 ASN C 36 13.676 18.657 -16.955 1.00 0.00 O ATOM 459 ND2 ASN C 36 13.402 16.507 -16.699 1.00 0.00 N ATOM 460 HA ASN C 36 13.543 19.407 -14.551 1.00 0.00 H ATOM 461 HB2 ASN C 36 15.756 18.077 -15.307 1.00 0.00 H ATOM 462 HB3 ASN C 36 14.851 16.705 -14.627 1.00 0.00 H ATOM 463 HD22 ASN C 36 13.593 15.645 -16.150 1.00 0.00 H ATOM 464 HD21 ASN C 36 12.814 16.459 -17.555 1.00 0.00 H ATOM 465 H ASN C 36 15.389 18.920 -12.253 1.00 0.00 H ATOM 466 N ASN C 37 12.536 16.838 -13.656 1.00 0.00 N ATOM 467 CA ASN C 37 11.613 16.016 -12.826 1.00 0.00 C ATOM 468 C ASN C 37 10.479 16.894 -12.293 1.00 0.00 C ATOM 469 O ASN C 37 10.601 17.524 -11.261 1.00 0.00 O ATOM 470 CB ASN C 37 12.384 15.412 -11.651 1.00 0.00 C ATOM 471 CG ASN C 37 13.420 14.418 -12.177 1.00 0.00 C ATOM 472 OD1 ASN C 37 14.322 14.787 -12.903 1.00 0.00 O ATOM 473 ND2 ASN C 37 13.329 13.161 -11.839 1.00 0.00 N ATOM 474 HA ASN C 37 11.194 15.217 -13.437 1.00 0.00 H ATOM 475 HB2 ASN C 37 12.889 16.206 -11.101 1.00 0.00 H ATOM 476 HB3 ASN C 37 11.690 14.896 -10.987 1.00 0.00 H ATOM 477 HD22 ASN C 37 12.557 12.844 -11.218 1.00 0.00 H ATOM 478 HD21 ASN C 37 14.028 12.476 -12.191 1.00 0.00 H ATOM 479 H ASN C 37 12.665 16.616 -14.664 1.00 0.00 H ATOM 480 N THR C 38 9.377 16.940 -12.989 1.00 0.00 N ATOM 481 CA THR C 38 8.236 17.777 -12.524 1.00 0.00 C ATOM 482 C THR C 38 7.347 16.947 -11.596 1.00 0.00 C ATOM 483 O THR C 38 6.559 17.475 -10.837 1.00 0.00 O ATOM 484 CB THR C 38 7.420 18.244 -13.731 1.00 0.00 C ATOM 485 OG1 THR C 38 6.360 19.081 -13.289 1.00 0.00 O ATOM 486 CG2 THR C 38 6.844 17.030 -14.461 1.00 0.00 C ATOM 487 HA THR C 38 8.615 18.646 -11.986 1.00 0.00 H ATOM 488 HB THR C 38 8.064 18.801 -14.411 1.00 0.00 H ATOM 489 HG1 THR C 38 5.776 18.574 -12.671 1.00 0.00 H ATOM 490 HG23 THR C 38 7.659 16.390 -14.799 1.00 0.00 H ATOM 491 HG21 THR C 38 6.199 16.472 -13.782 1.00 0.00 H ATOM 492 HG22 THR C 38 6.264 17.366 -15.321 1.00 0.00 H ATOM 493 H THR C 38 9.295 16.392 -13.869 1.00 0.00 H ATOM 494 N GLU C 39 7.468 15.649 -11.653 1.00 0.00 N ATOM 495 CA GLU C 39 6.634 14.780 -10.776 1.00 0.00 C ATOM 496 C GLU C 39 7.480 13.613 -10.265 1.00 0.00 C ATOM 497 O GLU C 39 8.693 13.679 -10.239 1.00 0.00 O ATOM 498 CB GLU C 39 5.445 14.240 -11.574 1.00 0.00 C ATOM 499 CG GLU C 39 4.141 14.694 -10.915 1.00 0.00 C ATOM 500 CD GLU C 39 3.169 15.184 -11.991 1.00 0.00 C ATOM 501 OE1 GLU C 39 3.638 15.648 -13.017 1.00 0.00 O ATOM 502 OE2 GLU C 39 1.973 15.087 -11.770 1.00 0.00 O ATOM 503 HA GLU C 39 6.267 15.361 -9.930 1.00 0.00 H ATOM 504 HB2 GLU C 39 5.489 14.621 -12.594 1.00 0.00 H ATOM 505 HB3 GLU C 39 5.484 13.151 -11.592 1.00 0.00 H ATOM 506 HG2 GLU C 39 3.696 13.858 -10.376 1.00 0.00 H ATOM 507 HG3 GLU C 39 4.349 15.505 -10.217 1.00 0.00 H ATOM 508 H GLU C 39 8.148 15.220 -12.312 1.00 0.00 H ATOM 509 N GLY C 40 6.853 12.544 -9.857 1.00 0.00 N ATOM 510 CA GLY C 40 7.624 11.376 -9.348 1.00 0.00 C ATOM 511 C GLY C 40 7.869 11.546 -7.848 1.00 0.00 C ATOM 512 O GLY C 40 6.953 11.782 -7.084 1.00 0.00 O ATOM 513 HA3 GLY C 40 8.580 11.315 -9.869 1.00 0.00 H ATOM 514 HA2 GLY C 40 7.058 10.461 -9.523 1.00 0.00 H ATOM 515 H GLY C 40 5.814 12.508 -9.887 1.00 0.00 H ATOM 516 N ASP C 41 9.095 11.431 -7.417 1.00 0.00 N ATOM 517 CA ASP C 41 9.389 11.587 -5.965 1.00 0.00 C ATOM 518 C ASP C 41 10.881 11.859 -5.762 1.00 0.00 C ATOM 519 O ASP C 41 11.418 11.643 -4.693 1.00 0.00 O ATOM 520 CB ASP C 41 9.001 10.304 -5.226 1.00 0.00 C ATOM 521 CG ASP C 41 7.847 10.599 -4.266 1.00 0.00 C ATOM 522 OD1 ASP C 41 7.844 11.672 -3.686 1.00 0.00 O ATOM 523 OD2 ASP C 41 6.985 9.745 -4.128 1.00 0.00 O ATOM 524 HA ASP C 41 8.815 12.426 -5.571 1.00 0.00 H ATOM 525 HB2 ASP C 41 8.690 9.548 -5.947 1.00 0.00 H ATOM 526 HB3 ASP C 41 9.858 9.935 -4.662 1.00 0.00 H ATOM 527 H ASP C 41 9.866 11.231 -8.086 1.00 0.00 H ATOM 528 N TRP C 42 11.560 12.332 -6.773 1.00 0.00 N ATOM 529 CA TRP C 42 13.016 12.612 -6.619 1.00 0.00 C ATOM 530 C TRP C 42 13.483 13.574 -7.713 1.00 0.00 C ATOM 531 O TRP C 42 13.577 13.217 -8.872 1.00 0.00 O ATOM 532 CB TRP C 42 13.798 11.302 -6.716 1.00 0.00 C ATOM 533 CG TRP C 42 13.800 10.615 -5.349 1.00 0.00 C ATOM 534 CD1 TRP C 42 13.049 9.552 -5.018 1.00 0.00 C ATOM 535 CD2 TRP C 42 14.536 10.995 -4.307 1.00 0.00 C ATOM 536 NE1 TRP C 42 13.371 9.324 -3.743 1.00 0.00 N ATOM 537 CE2 TRP C 42 14.290 10.178 -3.220 1.00 0.00 C ATOM 538 CE3 TRP C 42 15.440 12.031 -4.202 1.00 0.00 C ATOM 539 CZ2 TRP C 42 14.950 10.400 -2.029 1.00 0.00 C ATOM 540 CZ3 TRP C 42 16.100 12.253 -3.011 1.00 0.00 C ATOM 541 CH2 TRP C 42 15.855 11.437 -1.924 1.00 0.00 C ATOM 542 HA TRP C 42 13.192 13.071 -5.646 1.00 0.00 H ATOM 543 HB2 TRP C 42 13.327 10.650 -7.452 1.00 0.00 H ATOM 544 HB3 TRP C 42 14.823 11.511 -7.021 1.00 0.00 H ATOM 545 HE1 TRP C 42 12.950 8.550 -3.190 1.00 0.00 H ATOM 546 HD1 TRP C 42 12.343 9.005 -5.643 1.00 0.00 H ATOM 547 HZ2 TRP C 42 14.757 9.756 -1.171 1.00 0.00 H ATOM 548 HH2 TRP C 42 16.376 11.612 -0.983 1.00 0.00 H ATOM 549 HZ3 TRP C 42 16.814 13.072 -2.928 1.00 0.00 H ATOM 550 HE3 TRP C 42 15.633 12.675 -5.060 1.00 0.00 H ATOM 551 H TRP C 42 11.087 12.512 -7.681 1.00 0.00 H ATOM 552 N TRP C 43 13.778 14.795 -7.354 1.00 0.00 N ATOM 553 CA TRP C 43 14.242 15.785 -8.368 1.00 0.00 C ATOM 554 C TRP C 43 15.715 16.121 -8.119 1.00 0.00 C ATOM 555 O TRP C 43 16.246 15.877 -7.053 1.00 0.00 O ATOM 556 CB TRP C 43 13.414 17.067 -8.251 1.00 0.00 C ATOM 557 CG TRP C 43 11.925 16.724 -8.210 1.00 0.00 C ATOM 558 CD1 TRP C 43 11.375 15.608 -8.715 1.00 0.00 C ATOM 559 CD2 TRP C 43 10.980 17.502 -7.689 1.00 0.00 C ATOM 560 NE1 TRP C 43 10.071 15.764 -8.473 1.00 0.00 N ATOM 561 CE2 TRP C 43 9.738 16.917 -7.836 1.00 0.00 C ATOM 562 CE3 TRP C 43 11.098 18.726 -7.062 1.00 0.00 C ATOM 563 CZ2 TRP C 43 8.614 17.558 -7.356 1.00 0.00 C ATOM 564 CZ3 TRP C 43 9.974 19.365 -6.580 1.00 0.00 C ATOM 565 CH2 TRP C 43 8.732 18.783 -6.728 1.00 0.00 C ATOM 566 HA TRP C 43 14.123 15.359 -9.364 1.00 0.00 H ATOM 567 HB2 TRP C 43 13.689 17.593 -7.337 1.00 0.00 H ATOM 568 HB3 TRP C 43 13.614 17.706 -9.111 1.00 0.00 H ATOM 569 HE1 TRP C 43 9.363 15.055 -8.752 1.00 0.00 H ATOM 570 HD1 TRP C 43 11.874 14.773 -9.206 1.00 0.00 H ATOM 571 HZ2 TRP C 43 7.633 17.098 -7.472 1.00 0.00 H ATOM 572 HH2 TRP C 43 7.844 19.289 -6.350 1.00 0.00 H ATOM 573 HZ3 TRP C 43 10.067 20.330 -6.082 1.00 0.00 H ATOM 574 HE3 TRP C 43 12.079 19.188 -6.948 1.00 0.00 H ATOM 575 H TRP C 43 13.689 15.078 -6.357 1.00 0.00 H ATOM 576 N LEU C 44 16.378 16.683 -9.093 1.00 0.00 N ATOM 577 CA LEU C 44 17.814 17.036 -8.912 1.00 0.00 C ATOM 578 C LEU C 44 17.965 18.557 -8.943 1.00 0.00 C ATOM 579 O LEU C 44 17.595 19.205 -9.901 1.00 0.00 O ATOM 580 CB LEU C 44 18.641 16.416 -10.041 1.00 0.00 C ATOM 581 CG LEU C 44 20.095 16.876 -9.921 1.00 0.00 C ATOM 582 CD1 LEU C 44 20.833 15.988 -8.919 1.00 0.00 C ATOM 583 CD2 LEU C 44 20.776 16.774 -11.286 1.00 0.00 C ATOM 584 HA LEU C 44 18.167 16.652 -7.955 1.00 0.00 H ATOM 585 HB2 LEU C 44 18.596 15.329 -9.970 1.00 0.00 H ATOM 586 HB3 LEU C 44 18.238 16.732 -11.003 1.00 0.00 H ATOM 587 HG LEU C 44 20.119 17.910 -9.577 1.00 0.00 H ATOM 588 HD21 LEU C 44 20.749 15.739 -11.628 1.00 0.00 H ATOM 589 HD22 LEU C 44 20.251 17.408 -12.001 1.00 0.00 H ATOM 590 HD23 LEU C 44 21.812 17.102 -11.199 1.00 0.00 H ATOM 591 HD11 LEU C 44 20.348 16.060 -7.945 1.00 0.00 H ATOM 592 HD12 LEU C 44 20.807 14.954 -9.264 1.00 0.00 H ATOM 593 HD13 LEU C 44 21.868 16.319 -8.836 1.00 0.00 H ATOM 594 H LEU C 44 15.903 16.884 -9.996 1.00 0.00 H ATOM 595 N ALA C 45 18.505 19.135 -7.905 1.00 0.00 N ATOM 596 CA ALA C 45 18.673 20.615 -7.888 1.00 0.00 C ATOM 597 C ALA C 45 20.153 20.967 -7.722 1.00 0.00 C ATOM 598 O ALA C 45 20.943 20.178 -7.241 1.00 0.00 O ATOM 599 CB ALA C 45 17.876 21.204 -6.723 1.00 0.00 C ATOM 600 HA ALA C 45 18.308 21.029 -8.828 1.00 0.00 H ATOM 601 HB1 ALA C 45 16.821 20.958 -6.845 1.00 0.00 H ATOM 602 HB2 ALA C 45 18.242 20.785 -5.786 1.00 0.00 H ATOM 603 HB3 ALA C 45 17.999 22.287 -6.711 1.00 0.00 H ATOM 604 H ALA C 45 18.817 18.565 -7.093 1.00 0.00 H ATOM 605 N HIS C 46 20.531 22.151 -8.118 1.00 0.00 N ATOM 606 CA HIS C 46 21.956 22.567 -7.989 1.00 0.00 C ATOM 607 C HIS C 46 22.057 23.676 -6.934 1.00 0.00 C ATOM 608 O HIS C 46 21.498 24.745 -7.086 1.00 0.00 O ATOM 609 CB HIS C 46 22.455 23.067 -9.358 1.00 0.00 C ATOM 610 CG HIS C 46 23.526 24.151 -9.188 1.00 0.00 C ATOM 611 ND1 HIS C 46 24.766 23.993 -9.399 1.00 0.00 N ATOM 612 CD2 HIS C 46 23.397 25.472 -8.801 1.00 0.00 C ATOM 613 CE1 HIS C 46 25.404 25.081 -9.180 1.00 0.00 C ATOM 614 NE2 HIS C 46 24.604 26.061 -8.797 1.00 0.00 N ATOM 615 HA HIS C 46 22.575 21.727 -7.675 1.00 0.00 H ATOM 616 HB2 HIS C 46 22.880 22.229 -9.911 1.00 0.00 H ATOM 617 HB3 HIS C 46 21.614 23.480 -9.915 1.00 0.00 H ATOM 618 HD2 HIS C 46 22.459 25.961 -8.539 1.00 0.00 H ATOM 619 HE1 HIS C 46 26.483 25.187 -9.296 1.00 0.00 H ATOM 620 H HIS C 46 19.835 22.807 -8.525 1.00 0.00 H ATOM 621 N SER C 47 22.766 23.426 -5.867 1.00 0.00 N ATOM 622 CA SER C 47 22.903 24.460 -4.802 1.00 0.00 C ATOM 623 C SER C 47 23.539 25.722 -5.393 1.00 0.00 C ATOM 624 O SER C 47 24.271 25.664 -6.362 1.00 0.00 O ATOM 625 CB SER C 47 23.792 23.920 -3.681 1.00 0.00 C ATOM 626 OG SER C 47 23.129 22.847 -3.028 1.00 0.00 O ATOM 627 HA SER C 47 21.918 24.703 -4.402 1.00 0.00 H ATOM 628 HB2 SER C 47 23.994 24.714 -2.962 1.00 0.00 H ATOM 629 HB3 SER C 47 24.733 23.564 -4.102 1.00 0.00 H ATOM 630 HG SER C 47 23.705 22.498 -2.302 1.00 0.00 H ATOM 631 H SER C 47 23.236 22.504 -5.760 1.00 0.00 H ATOM 632 N LEU C 48 23.266 26.860 -4.817 1.00 0.00 N ATOM 633 CA LEU C 48 23.854 28.122 -5.345 1.00 0.00 C ATOM 634 C LEU C 48 25.008 28.563 -4.441 1.00 0.00 C ATOM 635 O LEU C 48 25.426 29.704 -4.464 1.00 0.00 O ATOM 636 CB LEU C 48 22.780 29.213 -5.373 1.00 0.00 C ATOM 637 CG LEU C 48 21.608 28.752 -6.242 1.00 0.00 C ATOM 638 CD1 LEU C 48 20.469 29.768 -6.140 1.00 0.00 C ATOM 639 CD2 LEU C 48 22.065 28.639 -7.697 1.00 0.00 C ATOM 640 HA LEU C 48 24.227 27.955 -6.355 1.00 0.00 H ATOM 641 HB2 LEU C 48 22.428 29.403 -4.359 1.00 0.00 H ATOM 642 HB3 LEU C 48 23.202 30.128 -5.788 1.00 0.00 H ATOM 643 HG LEU C 48 21.259 27.779 -5.896 1.00 0.00 H ATOM 644 HD21 LEU C 48 22.414 29.612 -8.043 1.00 0.00 H ATOM 645 HD22 LEU C 48 22.876 27.914 -7.766 1.00 0.00 H ATOM 646 HD23 LEU C 48 21.229 28.311 -8.315 1.00 0.00 H ATOM 647 HD11 LEU C 48 20.145 29.846 -5.102 1.00 0.00 H ATOM 648 HD12 LEU C 48 20.819 30.740 -6.486 1.00 0.00 H ATOM 649 HD13 LEU C 48 19.634 29.439 -6.759 1.00 0.00 H ATOM 650 H LEU C 48 22.638 26.886 -3.989 1.00 0.00 H ATOM 651 N THR C 49 25.525 27.667 -3.646 1.00 0.00 N ATOM 652 CA THR C 49 26.651 28.034 -2.741 1.00 0.00 C ATOM 653 C THR C 49 27.972 27.547 -3.343 1.00 0.00 C ATOM 654 O THR C 49 28.713 28.308 -3.932 1.00 0.00 O ATOM 655 CB THR C 49 26.441 27.375 -1.374 1.00 0.00 C ATOM 656 OG1 THR C 49 25.193 26.698 -1.364 1.00 0.00 O ATOM 657 CG2 THR C 49 26.454 28.446 -0.284 1.00 0.00 C ATOM 658 HA THR C 49 26.683 29.117 -2.623 1.00 0.00 H ATOM 659 HB THR C 49 27.242 26.660 -1.186 1.00 0.00 H ATOM 660 HG1 THR C 49 25.057 26.272 -0.481 1.00 0.00 H ATOM 661 HG23 THR C 49 27.414 28.963 -0.296 1.00 0.00 H ATOM 662 HG21 THR C 49 25.653 29.161 -0.469 1.00 0.00 H ATOM 663 HG22 THR C 49 26.305 27.975 0.688 1.00 0.00 H ATOM 664 H THR C 49 25.151 26.696 -3.644 1.00 0.00 H ATOM 665 N THR C 50 28.271 26.285 -3.200 1.00 0.00 N ATOM 666 CA THR C 50 29.544 25.754 -3.765 1.00 0.00 C ATOM 667 C THR C 50 29.352 25.451 -5.252 1.00 0.00 C ATOM 668 O THR C 50 30.298 25.201 -5.972 1.00 0.00 O ATOM 669 CB THR C 50 29.934 24.471 -3.030 1.00 0.00 C ATOM 670 OG1 THR C 50 28.870 23.535 -3.119 1.00 0.00 O ATOM 671 CG2 THR C 50 30.216 24.788 -1.561 1.00 0.00 C ATOM 672 HA THR C 50 30.333 26.496 -3.643 1.00 0.00 H ATOM 673 HB THR C 50 30.829 24.048 -3.486 1.00 0.00 H ATOM 674 HG1 THR C 50 29.122 22.704 -2.643 1.00 0.00 H ATOM 675 HG23 THR C 50 31.033 25.507 -1.496 1.00 0.00 H ATOM 676 HG21 THR C 50 29.321 25.211 -1.104 1.00 0.00 H ATOM 677 HG22 THR C 50 30.494 23.872 -1.040 1.00 0.00 H ATOM 678 H THR C 50 27.622 25.650 -2.692 1.00 0.00 H ATOM 679 N GLY C 51 28.133 25.470 -5.716 1.00 0.00 N ATOM 680 CA GLY C 51 27.881 25.182 -7.155 1.00 0.00 C ATOM 681 C GLY C 51 28.050 23.683 -7.412 1.00 0.00 C ATOM 682 O GLY C 51 28.727 23.275 -8.334 1.00 0.00 O ATOM 683 HA3 GLY C 51 28.591 25.738 -7.767 1.00 0.00 H ATOM 684 HA2 GLY C 51 26.866 25.483 -7.414 1.00 0.00 H ATOM 685 H GLY C 51 27.338 25.686 -5.081 1.00 0.00 H ATOM 686 N GLN C 52 27.442 22.861 -6.602 1.00 0.00 N ATOM 687 CA GLN C 52 27.569 21.390 -6.800 1.00 0.00 C ATOM 688 C GLN C 52 26.190 20.789 -7.079 1.00 0.00 C ATOM 689 O GLN C 52 25.198 21.489 -7.136 1.00 0.00 O ATOM 690 CB GLN C 52 28.153 20.753 -5.536 1.00 0.00 C ATOM 691 CG GLN C 52 29.620 21.162 -5.387 1.00 0.00 C ATOM 692 CD GLN C 52 30.518 19.962 -5.696 1.00 0.00 C ATOM 693 OE1 GLN C 52 31.088 19.875 -6.766 1.00 0.00 O ATOM 694 NE2 GLN C 52 30.668 19.028 -4.799 1.00 0.00 N ATOM 695 HA GLN C 52 28.229 21.195 -7.646 1.00 0.00 H ATOM 696 HB2 GLN C 52 27.591 21.092 -4.666 1.00 0.00 H ATOM 697 HB3 GLN C 52 28.084 19.668 -5.611 1.00 0.00 H ATOM 698 HG2 GLN C 52 29.844 21.972 -6.081 1.00 0.00 H ATOM 699 HG3 GLN C 52 29.802 21.499 -4.366 1.00 0.00 H ATOM 700 HE22 GLN C 52 30.180 19.103 -3.884 1.00 0.00 H ATOM 701 HE21 GLN C 52 31.276 18.208 -4.999 1.00 0.00 H ATOM 702 H GLN C 52 26.869 23.233 -5.818 1.00 0.00 H ATOM 703 N THR C 53 26.119 19.499 -7.253 1.00 0.00 N ATOM 704 CA THR C 53 24.804 18.855 -7.528 1.00 0.00 C ATOM 705 C THR C 53 24.177 18.404 -6.207 1.00 0.00 C ATOM 706 O THR C 53 24.859 18.228 -5.217 1.00 0.00 O ATOM 707 CB THR C 53 25.011 17.639 -8.434 1.00 0.00 C ATOM 708 OG1 THR C 53 25.942 17.966 -9.456 1.00 0.00 O ATOM 709 CG2 THR C 53 23.677 17.233 -9.064 1.00 0.00 C ATOM 710 HA THR C 53 24.144 19.568 -8.023 1.00 0.00 H ATOM 711 HB THR C 53 25.396 16.808 -7.844 1.00 0.00 H ATOM 712 HG1 THR C 53 26.076 17.180 -10.042 1.00 0.00 H ATOM 713 HG23 THR C 53 22.966 16.983 -8.277 1.00 0.00 H ATOM 714 HG21 THR C 53 23.289 18.062 -9.656 1.00 0.00 H ATOM 715 HG22 THR C 53 23.829 16.366 -9.707 1.00 0.00 H ATOM 716 H THR C 53 26.981 18.919 -7.200 1.00 0.00 H ATOM 717 N GLY C 54 22.886 18.216 -6.181 1.00 0.00 N ATOM 718 CA GLY C 54 22.231 17.777 -4.917 1.00 0.00 C ATOM 719 C GLY C 54 20.857 17.178 -5.222 1.00 0.00 C ATOM 720 O GLY C 54 19.855 17.865 -5.220 1.00 0.00 O ATOM 721 HA3 GLY C 54 22.113 18.634 -4.254 1.00 0.00 H ATOM 722 HA2 GLY C 54 22.853 17.026 -4.430 1.00 0.00 H ATOM 723 H GLY C 54 22.318 18.372 -7.038 1.00 0.00 H ATOM 724 N TYR C 55 20.803 15.902 -5.488 1.00 0.00 N ATOM 725 CA TYR C 55 19.499 15.258 -5.789 1.00 0.00 C ATOM 726 C TYR C 55 18.526 15.538 -4.643 1.00 0.00 C ATOM 727 O TYR C 55 18.543 14.874 -3.627 1.00 0.00 O ATOM 728 CB TYR C 55 19.706 13.749 -5.927 1.00 0.00 C ATOM 729 CG TYR C 55 20.338 13.438 -7.285 1.00 0.00 C ATOM 730 CD1 TYR C 55 19.550 13.292 -8.409 1.00 0.00 C ATOM 731 CD2 TYR C 55 21.705 13.295 -7.405 1.00 0.00 C ATOM 732 CE1 TYR C 55 20.121 13.008 -9.632 1.00 0.00 C ATOM 733 CE2 TYR C 55 22.275 13.011 -8.629 1.00 0.00 C ATOM 734 CZ TYR C 55 21.487 12.865 -9.752 1.00 0.00 C ATOM 735 OH TYR C 55 22.058 12.579 -10.975 1.00 0.00 O ATOM 736 HA TYR C 55 19.092 15.657 -6.718 1.00 0.00 H ATOM 737 HB3 TYR C 55 18.744 13.242 -5.850 1.00 0.00 H ATOM 738 HB2 TYR C 55 20.364 13.399 -5.132 1.00 0.00 H ATOM 739 HD2 TYR C 55 22.340 13.407 -6.526 1.00 0.00 H ATOM 740 HE2 TYR C 55 23.356 12.901 -8.709 1.00 0.00 H ATOM 741 HE1 TYR C 55 19.487 12.896 -10.511 1.00 0.00 H ATOM 742 HD1 TYR C 55 18.468 13.402 -8.329 1.00 0.00 H ATOM 743 HH TYR C 55 21.348 12.510 -11.661 1.00 0.00 H ATOM 744 H TYR C 55 21.675 15.335 -5.489 1.00 0.00 H ATOM 745 N ILE C 56 17.677 16.516 -4.798 1.00 0.00 N ATOM 746 CA ILE C 56 16.708 16.832 -3.713 1.00 0.00 C ATOM 747 C ILE C 56 15.424 16.021 -3.930 1.00 0.00 C ATOM 748 O ILE C 56 14.865 16.039 -5.006 1.00 0.00 O ATOM 749 CB ILE C 56 16.378 18.324 -3.738 1.00 0.00 C ATOM 750 CG1 ILE C 56 15.696 18.674 -5.062 1.00 0.00 C ATOM 751 CG2 ILE C 56 17.670 19.133 -3.605 1.00 0.00 C ATOM 752 CD1 ILE C 56 14.192 18.832 -4.835 1.00 0.00 C ATOM 753 HA ILE C 56 17.145 16.576 -2.748 1.00 0.00 H ATOM 754 HB ILE C 56 15.710 18.562 -2.910 1.00 0.00 H ATOM 755 HG12 ILE C 56 16.106 19.608 -5.446 1.00 0.00 H ATOM 756 HG13 ILE C 56 15.873 17.877 -5.784 1.00 0.00 H ATOM 757 HD11 ILE C 56 13.784 17.897 -4.451 1.00 0.00 H ATOM 758 HD12 ILE C 56 14.017 19.630 -4.113 1.00 0.00 H ATOM 759 HD13 ILE C 56 13.708 19.081 -5.779 1.00 0.00 H ATOM 760 HG21 ILE C 56 18.158 18.883 -2.663 1.00 0.00 H ATOM 761 HG22 ILE C 56 18.335 18.893 -4.435 1.00 0.00 H ATOM 762 HG23 ILE C 56 17.434 20.197 -3.623 1.00 0.00 H ATOM 763 H ILE C 56 17.677 17.073 -5.676 1.00 0.00 H ATOM 764 N PRO C 57 14.989 15.337 -2.899 1.00 0.00 N ATOM 765 CA PRO C 57 13.768 14.512 -2.964 1.00 0.00 C ATOM 766 C PRO C 57 12.556 15.370 -3.332 1.00 0.00 C ATOM 767 O PRO C 57 12.360 16.441 -2.795 1.00 0.00 O ATOM 768 CB PRO C 57 13.599 13.948 -1.547 1.00 0.00 C ATOM 769 CG PRO C 57 14.807 14.428 -0.702 1.00 0.00 C ATOM 770 CD PRO C 57 15.670 15.333 -1.592 1.00 0.00 C ATOM 771 HA PRO C 57 13.845 13.730 -3.719 1.00 0.00 H ATOM 772 HD3 PRO C 57 15.719 16.341 -1.181 1.00 0.00 H ATOM 773 HD2 PRO C 57 16.679 14.931 -1.686 1.00 0.00 H ATOM 774 HG3 PRO C 57 15.391 13.570 -0.368 1.00 0.00 H ATOM 775 HG2 PRO C 57 14.455 14.987 0.165 1.00 0.00 H ATOM 776 HB2 PRO C 57 12.670 14.314 -1.109 1.00 0.00 H ATOM 777 HB3 PRO C 57 13.578 12.859 -1.581 1.00 0.00 H ATOM 778 N SER C 58 11.743 14.912 -4.246 1.00 0.00 N ATOM 779 CA SER C 58 10.550 15.711 -4.633 1.00 0.00 C ATOM 780 C SER C 58 9.871 16.194 -3.355 1.00 0.00 C ATOM 781 O SER C 58 9.286 17.259 -3.306 1.00 0.00 O ATOM 782 CB SER C 58 9.581 14.839 -5.432 1.00 0.00 C ATOM 783 OG SER C 58 8.641 14.244 -4.549 1.00 0.00 O ATOM 784 HA SER C 58 10.847 16.559 -5.250 1.00 0.00 H ATOM 785 HB2 SER C 58 10.137 14.058 -5.951 1.00 0.00 H ATOM 786 HB3 SER C 58 9.055 15.455 -6.162 1.00 0.00 H ATOM 787 HG SER C 58 9.120 13.685 -3.887 1.00 0.00 H ATOM 788 H SER C 58 11.929 13.995 -4.700 1.00 0.00 H ATOM 789 N ASN C 59 9.949 15.408 -2.316 1.00 0.00 N ATOM 790 CA ASN C 59 9.317 15.799 -1.029 1.00 0.00 C ATOM 791 C ASN C 59 10.392 16.405 -0.125 1.00 0.00 C ATOM 792 O ASN C 59 11.497 15.913 -0.068 1.00 0.00 O ATOM 793 CB ASN C 59 8.710 14.566 -0.356 1.00 0.00 C ATOM 794 CG ASN C 59 7.202 14.765 -0.198 1.00 0.00 C ATOM 795 OD1 ASN C 59 6.745 15.258 0.815 1.00 0.00 O ATOM 796 ND2 ASN C 59 6.402 14.400 -1.163 1.00 0.00 N ATOM 797 HA ASN C 59 8.526 16.527 -1.207 1.00 0.00 H ATOM 798 HB2 ASN C 59 8.899 13.686 -0.971 1.00 0.00 H ATOM 799 HB3 ASN C 59 9.164 14.426 0.625 1.00 0.00 H ATOM 800 HD22 ASN C 59 6.792 13.978 -2.030 1.00 0.00 H ATOM 801 HD21 ASN C 59 5.375 14.531 -1.065 1.00 0.00 H ATOM 802 H ASN C 59 10.456 14.503 -2.389 1.00 0.00 H ATOM 803 N TYR C 60 10.047 17.473 0.557 1.00 0.00 N ATOM 804 CA TYR C 60 10.984 18.192 1.492 1.00 0.00 C ATOM 805 C TYR C 60 11.271 19.582 0.919 1.00 0.00 C ATOM 806 O TYR C 60 11.988 20.368 1.505 1.00 0.00 O ATOM 807 CB TYR C 60 12.314 17.448 1.683 1.00 0.00 C ATOM 808 CG TYR C 60 12.075 16.110 2.394 1.00 0.00 C ATOM 809 CD1 TYR C 60 10.883 15.857 3.040 1.00 0.00 C ATOM 810 CD2 TYR C 60 13.057 15.138 2.401 1.00 0.00 C ATOM 811 CE1 TYR C 60 10.675 14.654 3.684 1.00 0.00 C ATOM 812 CE2 TYR C 60 12.848 13.935 3.044 1.00 0.00 C ATOM 813 CZ TYR C 60 11.657 13.684 3.690 1.00 0.00 C ATOM 814 OH TYR C 60 11.453 12.484 4.340 1.00 0.00 O ATOM 815 HA TYR C 60 10.501 18.252 2.467 1.00 0.00 H ATOM 816 HB3 TYR C 60 12.986 18.060 2.284 1.00 0.00 H ATOM 817 HB2 TYR C 60 12.766 17.263 0.709 1.00 0.00 H ATOM 818 HD2 TYR C 60 14.004 15.323 1.895 1.00 0.00 H ATOM 819 HE2 TYR C 60 13.631 13.177 3.041 1.00 0.00 H ATOM 820 HE1 TYR C 60 9.728 14.469 4.192 1.00 0.00 H ATOM 821 HD1 TYR C 60 10.098 16.614 3.042 1.00 0.00 H ATOM 822 HH TYR C 60 11.530 11.741 3.690 1.00 0.00 H ATOM 823 H TYR C 60 9.080 17.840 0.446 1.00 0.00 H ATOM 824 N VAL C 61 10.710 19.890 -0.223 1.00 0.00 N ATOM 825 CA VAL C 61 10.945 21.225 -0.840 1.00 0.00 C ATOM 826 C VAL C 61 9.632 21.745 -1.428 1.00 0.00 C ATOM 827 O VAL C 61 8.666 21.019 -1.559 1.00 0.00 O ATOM 828 CB VAL C 61 11.999 21.100 -1.948 1.00 0.00 C ATOM 829 CG1 VAL C 61 11.755 19.822 -2.753 1.00 0.00 C ATOM 830 CG2 VAL C 61 11.927 22.306 -2.888 1.00 0.00 C ATOM 831 HA VAL C 61 11.305 21.922 -0.083 1.00 0.00 H ATOM 832 HB VAL C 61 12.986 21.062 -1.486 1.00 0.00 H ATOM 833 HG11 VAL C 61 11.823 18.959 -2.091 1.00 0.00 H ATOM 834 HG12 VAL C 61 10.762 19.861 -3.202 1.00 0.00 H ATOM 835 HG13 VAL C 61 12.507 19.739 -3.538 1.00 0.00 H ATOM 836 HG21 VAL C 61 10.937 22.353 -3.341 1.00 0.00 H ATOM 837 HG22 VAL C 61 12.112 23.218 -2.321 1.00 0.00 H ATOM 838 HG23 VAL C 61 12.681 22.202 -3.668 1.00 0.00 H ATOM 839 H VAL C 61 10.097 19.199 -0.702 1.00 0.00 H ATOM 840 N ALA C 62 9.592 22.996 -1.783 1.00 0.00 N ATOM 841 CA ALA C 62 8.346 23.570 -2.363 1.00 0.00 C ATOM 842 C ALA C 62 8.681 24.875 -3.095 1.00 0.00 C ATOM 843 O ALA C 62 9.467 25.665 -2.612 1.00 0.00 O ATOM 844 CB ALA C 62 7.345 23.856 -1.243 1.00 0.00 C ATOM 845 HA ALA C 62 7.910 22.859 -3.065 1.00 0.00 H ATOM 846 HB1 ALA C 62 7.109 22.928 -0.722 1.00 0.00 H ATOM 847 HB2 ALA C 62 7.780 24.567 -0.541 1.00 0.00 H ATOM 848 HB3 ALA C 62 6.434 24.276 -1.670 1.00 0.00 H ATOM 849 H ALA C 62 10.432 23.597 -1.661 1.00 0.00 H ATOM 850 N PRO C 63 8.074 25.065 -4.241 1.00 0.00 N ATOM 851 CA PRO C 63 8.297 26.273 -5.054 1.00 0.00 C ATOM 852 C PRO C 63 7.853 27.518 -4.281 1.00 0.00 C ATOM 853 O PRO C 63 6.710 27.641 -3.887 1.00 0.00 O ATOM 854 CB PRO C 63 7.428 26.075 -6.303 1.00 0.00 C ATOM 855 CG PRO C 63 6.683 24.724 -6.149 1.00 0.00 C ATOM 856 CD PRO C 63 7.122 24.096 -4.817 1.00 0.00 C ATOM 857 HA PRO C 63 9.348 26.415 -5.307 1.00 0.00 H ATOM 858 HD3 PRO C 63 6.266 23.958 -4.156 1.00 0.00 H ATOM 859 HD2 PRO C 63 7.607 23.135 -4.986 1.00 0.00 H ATOM 860 HG3 PRO C 63 6.941 24.061 -6.975 1.00 0.00 H ATOM 861 HG2 PRO C 63 5.606 24.892 -6.143 1.00 0.00 H ATOM 862 HB2 PRO C 63 6.708 26.889 -6.388 1.00 0.00 H ATOM 863 HB3 PRO C 63 8.056 26.053 -7.193 1.00 0.00 H ATOM 864 N SER C 64 8.747 28.442 -4.061 1.00 0.00 N ATOM 865 CA SER C 64 8.373 29.676 -3.314 1.00 0.00 C ATOM 866 C SER C 64 9.454 30.740 -3.511 1.00 0.00 C ATOM 867 O SER C 64 9.098 31.898 -3.652 1.00 0.00 O ATOM 868 CB SER C 64 8.243 29.348 -1.825 1.00 0.00 C ATOM 869 OG SER C 64 9.537 29.209 -1.256 1.00 0.00 O ATOM 870 HA SER C 64 7.422 30.054 -3.688 1.00 0.00 H ATOM 871 OXT SER C 64 10.620 30.379 -3.516 1.00 0.00 O ATOM 872 HB2 SER C 64 7.691 28.416 -1.705 1.00 0.00 H ATOM 873 HB3 SER C 64 7.709 30.153 -1.321 1.00 0.00 H ATOM 874 HG SER C 64 10.037 30.056 -1.365 1.00 0.00 H ATOM 875 H SER C 64 9.720 28.318 -4.407 1.00 0.00 H TER 876 SER C 64 HETATM 877 N ALA A 1 2.176 16.466 9.451 1.00 0.24 N HETATM 878 CA ALA A 1 3.157 15.766 10.328 1.00 0.06 C HETATM 879 C ALA A 1 3.583 14.453 9.668 1.00 0.23 C HETATM 880 O ALA A 1 3.140 14.118 8.587 1.00 -0.39 O HETATM 881 N ALA A 1 4.438 13.707 10.310 1.00 -0.26 N HETATM 882 CA ALA A 1 4.890 12.416 9.718 1.00 0.14 C HETATM 883 C ALA A 1 5.575 12.684 8.376 1.00 0.21 C HETATM 884 O ALA A 1 5.060 12.348 7.329 1.00 -0.39 O HETATM 885 N ALA A 1 6.732 13.286 8.398 1.00 -0.26 N HETATM 886 CA ALA A 1 7.445 13.573 7.122 1.00 0.13 C HETATM 887 C ALA A 1 7.572 12.276 6.311 1.00 0.21 C HETATM 888 O ALA A 1 7.928 11.250 6.853 1.00 -0.39 O HETATM 889 N ALA A 1 7.278 12.360 5.035 1.00 -0.25 N HETATM 890 CA ALA A 1 7.355 11.193 4.134 1.00 0.13 C HETATM 891 C ALA A 1 8.798 10.675 4.054 1.00 0.21 C HETATM 892 O ALA A 1 9.646 11.315 3.465 1.00 -0.39 O HETATM 893 N ALA A 1 9.036 9.528 4.643 1.00 -0.25 N HETATM 894 CA ALA A 1 10.377 8.915 4.645 1.00 0.13 C HETATM 895 C ALA A 1 10.827 8.623 3.210 1.00 0.20 C HETATM 896 O ALA A 1 10.041 8.230 2.372 1.00 -0.39 O HETATM 897 N ALA A 1 12.086 8.818 2.921 1.00 -0.26 N HETATM 898 CA ALA A 1 12.583 8.551 1.542 1.00 0.13 C HETATM 899 C ALA A 1 11.990 7.226 1.039 1.00 0.21 C HETATM 900 O ALA A 1 12.229 6.191 1.629 1.00 -0.39 O HETATM 901 N ALA A 1 11.200 7.301 -0.010 1.00 -0.25 N HETATM 902 CA ALA A 1 10.557 6.110 -0.605 1.00 0.13 C HETATM 903 C ALA A 1 11.548 5.315 -1.467 1.00 0.20 C HETATM 904 O ALA A 1 11.238 4.929 -2.577 1.00 -0.39 O HETATM 905 N ALA A 1 12.723 5.058 -0.961 1.00 -0.26 N HETATM 906 CA ALA A 1 13.740 4.289 -1.740 1.00 0.13 C HETATM 907 C ALA A 1 13.664 4.663 -3.223 1.00 0.20 C HETATM 908 O ALA A 1 13.407 3.829 -4.069 1.00 -0.39 O HETATM 909 N ALA A 1 13.881 5.908 -3.547 1.00 -0.27 N HETATM 910 CA ALA A 1 13.819 6.324 -4.975 1.00 0.09 C HETATM 911 C ALA A 1 12.461 5.933 -5.562 1.00 0.06 C HETATM 912 O ALA A 1 12.439 5.099 -6.453 1.00 -0.57 O HETATM 913 OXT ALA A 1 11.465 6.476 -5.113 1.00 -0.57 O HETATM 914 CB ALA A 1 14.933 5.626 -5.758 1.00 -0.01 C HETATM 915 CG ALA A 1 16.292 6.047 -5.195 1.00 -0.02 C HETATM 916 CD ALA A 1 16.514 7.536 -5.467 1.00 0.06 C HETATM 917 NE ALA A 1 17.959 7.862 -5.297 1.00 -0.27 N HETATM 918 CZ ALA A 1 18.353 9.107 -5.289 1.00 0.29 C HETATM 919 NH1 ALA A 1 17.484 10.072 -5.427 1.00 -0.28 N HETATM 920 H76 ALA A 1 17.798 11.053 -5.420 1.00 0.26 H HETATM 921 H77 ALA A 1 16.484 9.852 -5.543 1.00 0.26 H HETATM 922 NH2 ALA A 1 19.619 9.388 -5.142 1.00 -0.28 N HETATM 923 H78 ALA A 1 20.306 8.628 -5.033 1.00 0.26 H HETATM 924 H79 ALA A 1 19.931 10.370 -5.135 1.00 0.26 H HETATM 925 H75 ALA A 1 18.648 7.104 -5.186 1.00 0.26 H HETATM 926 H73 ALA A 1 15.918 8.131 -4.759 1.00 0.07 H HETATM 927 H74 ALA A 1 16.204 7.771 -6.496 1.00 0.07 H HETATM 928 H71 ALA A 1 17.088 5.463 -5.680 1.00 0.03 H HETATM 929 H72 ALA A 1 16.313 5.865 -4.110 1.00 0.03 H HETATM 930 H69 ALA A 1 14.871 5.912 -6.818 1.00 0.03 H HETATM 931 H70 ALA A 1 14.819 4.536 -5.665 1.00 0.03 H HETATM 932 H68 ALA A 1 13.949 7.414 -5.045 1.00 0.07 H HETATM 933 H67 ALA A 1 14.089 6.582 -2.837 1.00 0.19 H HETATM 934 CB ALA A 1 13.477 2.790 -1.583 1.00 -0.01 C HETATM 935 CG ALA A 1 14.651 2.003 -2.172 1.00 -0.02 C HETATM 936 CD ALA A 1 14.898 0.748 -1.333 1.00 0.06 C HETATM 937 NE ALA A 1 15.413 -0.342 -2.209 1.00 -0.27 N HETATM 938 CZ ALA A 1 16.648 -0.314 -2.635 1.00 0.29 C HETATM 939 NH1 ALA A 1 17.438 0.668 -2.292 1.00 -0.28 N HETATM 940 H63 ALA A 1 18.411 0.688 -2.629 1.00 0.26 H HETATM 941 H64 ALA A 1 17.088 1.423 -1.685 1.00 0.26 H HETATM 942 NH2 ALA A 1 17.094 -1.270 -3.403 1.00 -0.28 N HETATM 943 H65 ALA A 1 16.472 -2.045 -3.674 1.00 0.26 H HETATM 944 H66 ALA A 1 18.068 -1.250 -3.738 1.00 0.26 H HETATM 945 H62 ALA A 1 14.794 -1.119 -2.479 1.00 0.26 H HETATM 946 H60 ALA A 1 13.955 0.428 -0.866 1.00 0.07 H HETATM 947 H61 ALA A 1 15.638 0.970 -0.550 1.00 0.07 H HETATM 948 H58 ALA A 1 15.554 2.632 -2.165 1.00 0.03 H HETATM 949 H59 ALA A 1 14.415 1.712 -3.206 1.00 0.03 H HETATM 950 H56 ALA A 1 12.552 2.522 -2.115 1.00 0.03 H HETATM 951 H57 ALA A 1 13.370 2.546 -0.516 1.00 0.03 H HETATM 952 H55 ALA A 1 14.744 4.526 -1.357 1.00 0.08 H HETATM 953 H54 ALA A 1 12.945 5.380 -0.041 1.00 0.19 H HETATM 954 CB ALA A 1 9.442 6.678 -1.490 1.00 -0.01 C HETATM 955 CG ALA A 1 9.650 8.214 -1.575 1.00 -0.03 C HETATM 956 CD ALA A 1 10.811 8.578 -0.634 1.00 0.04 C HETATM 957 H52 ALA A 1 11.651 9.005 -1.202 1.00 0.05 H HETATM 958 H53 ALA A 1 10.481 9.298 0.129 1.00 0.05 H HETATM 959 H50 ALA A 1 8.734 8.735 -1.260 1.00 0.03 H HETATM 960 H51 ALA A 1 9.899 8.502 -2.607 1.00 0.03 H HETATM 961 H48 ALA A 1 8.460 6.456 -1.046 1.00 0.03 H HETATM 962 H49 ALA A 1 9.498 6.235 -2.495 1.00 0.03 H HETATM 963 H47 ALA A 1 10.144 5.459 0.179 1.00 0.08 H HETATM 964 CB ALA A 1 14.110 8.445 1.565 1.00 -0.01 C HETATM 965 CG ALA A 1 14.704 9.764 2.061 1.00 -0.04 C HETATM 966 CD1 ALA A 1 16.219 9.614 2.219 1.00 -0.06 C HETATM 967 H41 ALA A 1 16.646 10.563 2.576 1.00 0.02 H HETATM 968 H42 ALA A 1 16.665 9.353 1.248 1.00 0.02 H HETATM 969 H43 ALA A 1 16.435 8.818 2.947 1.00 0.02 H HETATM 970 CD2 ALA A 1 14.406 10.871 1.048 1.00 -0.06 C HETATM 971 H44 ALA A 1 13.317 10.980 0.933 1.00 0.02 H HETATM 972 H45 ALA A 1 14.852 10.610 0.077 1.00 0.02 H HETATM 973 H46 ALA A 1 14.834 11.819 1.405 1.00 0.02 H HETATM 974 H40 ALA A 1 14.258 10.025 3.032 1.00 0.03 H HETATM 975 H38 ALA A 1 14.479 8.235 0.550 1.00 0.03 H HETATM 976 H39 ALA A 1 14.411 7.630 2.240 1.00 0.03 H HETATM 977 H37 ALA A 1 12.279 9.370 0.874 1.00 0.08 H HETATM 978 H36 ALA A 1 12.716 9.146 3.625 1.00 0.19 H HETATM 979 CB ALA A 1 10.212 7.609 5.434 1.00 -0.01 C HETATM 980 CG ALA A 1 8.730 7.512 5.881 1.00 -0.03 C HETATM 981 CD ALA A 1 7.997 8.751 5.344 1.00 0.04 C HETATM 982 H34 ALA A 1 7.197 8.457 4.648 1.00 0.05 H HETATM 983 H35 ALA A 1 7.567 9.336 6.171 1.00 0.05 H HETATM 984 H32 ALA A 1 8.671 7.489 6.979 1.00 0.03 H HETATM 985 H33 ALA A 1 8.274 6.599 5.470 1.00 0.03 H HETATM 986 H30 ALA A 1 10.869 7.619 6.316 1.00 0.03 H HETATM 987 H31 ALA A 1 10.468 6.751 4.795 1.00 0.03 H HETATM 988 H29 ALA A 1 11.107 9.576 5.135 1.00 0.08 H HETATM 989 CB ALA A 1 6.904 11.724 2.766 1.00 -0.01 C HETATM 990 CG ALA A 1 6.583 13.232 2.926 1.00 -0.03 C HETATM 991 CD ALA A 1 6.853 13.615 4.389 1.00 0.04 C HETATM 992 H27 ALA A 1 7.649 14.371 4.451 1.00 0.05 H HETATM 993 H28 ALA A 1 5.940 14.004 4.862 1.00 0.05 H HETATM 994 H25 ALA A 1 5.527 13.419 2.679 1.00 0.03 H HETATM 995 H26 ALA A 1 7.226 13.825 2.259 1.00 0.03 H HETATM 996 H23 ALA A 1 6.006 11.184 2.432 1.00 0.03 H HETATM 997 H24 ALA A 1 7.709 11.589 2.028 1.00 0.03 H HETATM 998 H22 ALA A 1 6.690 10.388 4.480 1.00 0.08 H HETATM 999 CB ALA A 1 8.841 14.117 7.432 1.00 -0.02 C HETATM 1000 H19 ALA A 1 9.369 14.329 6.491 1.00 0.03 H HETATM 1001 H20 ALA A 1 9.406 13.370 8.009 1.00 0.03 H HETATM 1002 H21 ALA A 1 8.752 15.043 8.019 1.00 0.03 H HETATM 1003 H18 ALA A 1 6.880 14.317 6.542 1.00 0.08 H HETATM 1004 H17 ALA A 1 7.140 13.555 9.271 1.00 0.19 H HETATM 1005 CB ALA A 1 3.682 11.504 9.500 1.00 0.02 C HETATM 1006 CG ALA A 1 3.676 10.402 10.562 1.00 -0.04 C HETATM 1007 CD1 ALA A 1 4.595 9.371 10.508 1.00 -0.06 C HETATM 1008 CE1 ALA A 1 4.589 8.379 11.467 1.00 -0.07 C HETATM 1009 CZ ALA A 1 3.664 8.409 12.486 1.00 -0.07 C HETATM 1010 CE2 ALA A 1 2.745 9.432 12.547 1.00 -0.07 C HETATM 1011 CD2 ALA A 1 2.750 10.425 11.590 1.00 -0.06 C HETATM 1012 H13 ALA A 1 2.024 11.228 11.643 1.00 0.06 H HETATM 1013 H15 ALA A 1 2.016 9.457 13.349 1.00 0.06 H HETATM 1014 H16 ALA A 1 3.659 7.629 13.239 1.00 0.06 H HETATM 1015 H14 ALA A 1 5.314 7.575 11.418 1.00 0.06 H HETATM 1016 H12 ALA A 1 5.325 9.342 9.707 1.00 0.06 H HETATM 1017 H10 ALA A 1 3.742 11.049 8.500 1.00 0.05 H HETATM 1018 H11 ALA A 1 2.757 12.095 9.580 1.00 0.05 H HETATM 1019 H9 ALA A 1 5.600 11.927 10.402 1.00 0.08 H HETATM 1020 H8 ALA A 1 4.790 14.001 11.199 1.00 0.19 H HETATM 1021 CB ALA A 1 2.510 15.470 11.682 1.00 -0.00 C HETATM 1022 H5 ALA A 1 3.234 14.953 12.329 1.00 0.03 H HETATM 1023 H6 ALA A 1 1.628 14.830 11.535 1.00 0.03 H HETATM 1024 H7 ALA A 1 2.203 16.414 12.156 1.00 0.03 H HETATM 1025 H4 ALA A 1 4.040 16.406 10.475 1.00 0.11 H HETATM 1026 H1 ALA A 1 1.895 17.331 9.885 1.00 0.20 H HETATM 1027 H2 ALA A 1 1.367 15.879 9.316 1.00 0.20 H HETATM 1028 H3 ALA A 1 2.602 16.661 8.559 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: 1prl
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%
1prm
RCSB PDB
PDBbind
64aa, >1PRM_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
1prm
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
1prl
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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