Browse entries in the PDBbind-CN Database
HEADER 1RLQ_COMPLEX COMPND 1RLQ_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 ARG A 57 162 ATOM 1 N THR C 9 5.744 2.997 -25.335 1.00 0.91 N ATOM 2 CA THR C 9 4.439 3.552 -24.877 1.00 0.80 C ATOM 3 C THR C 9 3.850 2.646 -23.795 1.00 0.59 C ATOM 4 O THR C 9 3.154 1.692 -24.083 1.00 0.73 O ATOM 5 CB THR C 9 3.472 3.623 -26.061 1.00 1.14 C ATOM 6 OG1 THR C 9 4.151 4.142 -27.195 1.00 1.49 O ATOM 7 CG2 THR C 9 2.296 4.534 -25.706 1.00 1.32 C ATOM 8 HA THR C 9 4.593 4.552 -24.471 1.00 0.00 H ATOM 9 HB THR C 9 3.099 2.624 -26.287 1.00 0.00 H ATOM 10 HG1 THR C 9 3.525 4.188 -27.961 1.00 0.00 H ATOM 11 HG23 THR C 9 1.777 4.133 -24.835 1.00 0.00 H ATOM 12 HG21 THR C 9 2.668 5.534 -25.480 1.00 0.00 H ATOM 13 HG22 THR C 9 1.608 4.583 -26.550 1.00 0.00 H ATOM 14 HN3 THR C 9 5.597 2.044 -25.723 1.00 0.00 H ATOM 15 HN2 THR C 9 6.400 2.947 -24.529 1.00 0.00 H ATOM 16 HN1 THR C 9 6.143 3.614 -26.071 1.00 0.00 H ATOM 17 N PHE C 10 4.121 2.933 -22.551 1.00 0.45 N ATOM 18 CA PHE C 10 3.574 2.084 -21.456 1.00 0.32 C ATOM 19 C PHE C 10 2.259 2.687 -20.954 1.00 0.35 C ATOM 20 O PHE C 10 1.867 3.764 -21.358 1.00 0.42 O ATOM 21 CB PHE C 10 4.579 2.022 -20.306 1.00 0.38 C ATOM 22 CG PHE C 10 5.641 0.964 -20.610 1.00 0.34 C ATOM 23 CD1 PHE C 10 6.390 1.039 -21.770 1.00 1.21 C ATOM 24 CD2 PHE C 10 5.866 -0.080 -19.730 1.00 1.24 C ATOM 25 CE1 PHE C 10 7.349 0.086 -22.045 1.00 1.21 C ATOM 26 CE2 PHE C 10 6.825 -1.033 -20.007 1.00 1.27 C ATOM 27 CZ PHE C 10 7.566 -0.950 -21.164 1.00 0.45 C ATOM 28 HA PHE C 10 3.393 1.077 -21.832 1.00 0.00 H ATOM 29 HB2 PHE C 10 5.058 2.994 -20.189 1.00 0.00 H ATOM 30 HB3 PHE C 10 4.060 1.761 -19.384 1.00 0.00 H ATOM 31 HD2 PHE C 10 5.282 -0.150 -18.812 1.00 0.00 H ATOM 32 HE2 PHE C 10 6.996 -1.852 -19.309 1.00 0.00 H ATOM 33 HZ PHE C 10 8.323 -1.703 -21.383 1.00 0.00 H ATOM 34 HE1 PHE C 10 7.936 0.153 -22.961 1.00 0.00 H ATOM 35 HD1 PHE C 10 6.222 1.856 -22.471 1.00 0.00 H ATOM 36 H PHE C 10 4.718 3.754 -22.324 1.00 0.00 H ATOM 37 N VAL C 11 1.575 2.006 -20.072 1.00 0.39 N ATOM 38 CA VAL C 11 0.287 2.550 -19.552 1.00 0.46 C ATOM 39 C VAL C 11 0.241 2.402 -18.029 1.00 0.43 C ATOM 40 O VAL C 11 0.640 1.394 -17.481 1.00 0.52 O ATOM 41 CB VAL C 11 -0.879 1.778 -20.170 1.00 0.53 C ATOM 42 CG1 VAL C 11 -2.197 2.430 -19.750 1.00 0.78 C ATOM 43 CG2 VAL C 11 -0.760 1.808 -21.695 1.00 0.62 C ATOM 44 HA VAL C 11 0.210 3.605 -19.816 1.00 0.00 H ATOM 45 HB VAL C 11 -0.856 0.744 -19.824 1.00 0.00 H ATOM 46 HG11 VAL C 11 -2.281 2.410 -18.663 1.00 0.00 H ATOM 47 HG12 VAL C 11 -2.217 3.463 -20.098 1.00 0.00 H ATOM 48 HG13 VAL C 11 -3.029 1.880 -20.190 1.00 0.00 H ATOM 49 HG21 VAL C 11 -0.785 2.842 -22.040 1.00 0.00 H ATOM 50 HG22 VAL C 11 0.181 1.346 -21.994 1.00 0.00 H ATOM 51 HG23 VAL C 11 -1.592 1.257 -22.134 1.00 0.00 H ATOM 52 H VAL C 11 1.928 1.088 -19.734 1.00 0.00 H ATOM 53 N ALA C 12 -0.254 3.395 -17.342 1.00 0.43 N ATOM 54 CA ALA C 12 -0.325 3.310 -15.856 1.00 0.41 C ATOM 55 C ALA C 12 -1.390 2.290 -15.448 1.00 0.42 C ATOM 56 O ALA C 12 -2.574 2.556 -15.501 1.00 0.78 O ATOM 57 CB ALA C 12 -0.686 4.682 -15.282 1.00 0.49 C ATOM 58 HA ALA C 12 0.643 2.996 -15.467 1.00 0.00 H ATOM 59 HB1 ALA C 12 0.076 5.406 -15.569 1.00 0.00 H ATOM 60 HB2 ALA C 12 -1.653 4.996 -15.675 1.00 0.00 H ATOM 61 HB3 ALA C 12 -0.737 4.618 -14.195 1.00 0.00 H ATOM 62 H ALA C 12 -0.599 4.245 -17.831 1.00 0.00 H ATOM 63 N LEU C 13 -0.975 1.122 -15.042 1.00 0.41 N ATOM 64 CA LEU C 13 -1.955 0.080 -14.629 1.00 0.48 C ATOM 65 C LEU C 13 -2.529 0.432 -13.258 1.00 0.46 C ATOM 66 O LEU C 13 -3.596 -0.015 -12.888 1.00 0.67 O ATOM 67 CB LEU C 13 -1.248 -1.272 -14.530 1.00 0.58 C ATOM 68 CG LEU C 13 -1.035 -1.852 -15.927 1.00 0.61 C ATOM 69 CD1 LEU C 13 -0.336 -3.206 -15.802 1.00 0.73 C ATOM 70 CD2 LEU C 13 -2.388 -2.036 -16.615 1.00 0.69 C ATOM 71 HA LEU C 13 -2.757 0.030 -15.366 1.00 0.00 H ATOM 72 HB2 LEU C 13 -0.282 -1.140 -14.042 1.00 0.00 H ATOM 73 HB3 LEU C 13 -1.859 -1.958 -13.943 1.00 0.00 H ATOM 74 HG LEU C 13 -0.421 -1.174 -16.519 1.00 0.00 H ATOM 75 HD21 LEU C 13 -3.003 -2.718 -16.028 1.00 0.00 H ATOM 76 HD22 LEU C 13 -2.888 -1.071 -16.694 1.00 0.00 H ATOM 77 HD23 LEU C 13 -2.234 -2.450 -17.612 1.00 0.00 H ATOM 78 HD11 LEU C 13 0.626 -3.072 -15.308 1.00 0.00 H ATOM 79 HD12 LEU C 13 -0.957 -3.881 -15.214 1.00 0.00 H ATOM 80 HD13 LEU C 13 -0.181 -3.626 -16.796 1.00 0.00 H ATOM 81 H LEU C 13 0.044 0.918 -15.007 1.00 0.00 H ATOM 82 N TYR C 14 -1.829 1.228 -12.497 1.00 0.41 N ATOM 83 CA TYR C 14 -2.344 1.599 -11.150 1.00 0.47 C ATOM 84 C TYR C 14 -2.229 3.108 -10.932 1.00 0.45 C ATOM 85 O TYR C 14 -1.436 3.779 -11.562 1.00 0.54 O ATOM 86 CB TYR C 14 -1.524 0.868 -10.095 1.00 0.54 C ATOM 87 CG TYR C 14 -1.713 -0.635 -10.277 1.00 0.51 C ATOM 88 CD1 TYR C 14 -1.268 -1.256 -11.422 1.00 1.22 C ATOM 89 CD2 TYR C 14 -2.338 -1.385 -9.308 1.00 1.39 C ATOM 90 CE1 TYR C 14 -1.445 -2.611 -11.599 1.00 1.31 C ATOM 91 CE2 TYR C 14 -2.516 -2.743 -9.481 1.00 1.52 C ATOM 92 CZ TYR C 14 -2.070 -3.367 -10.630 1.00 0.93 C ATOM 93 OH TYR C 14 -2.250 -4.724 -10.806 1.00 1.22 O ATOM 94 HA TYR C 14 -3.394 1.317 -11.074 1.00 0.00 H ATOM 95 HB3 TYR C 14 -1.861 1.162 -9.101 1.00 0.00 H ATOM 96 HB2 TYR C 14 -0.470 1.121 -10.210 1.00 0.00 H ATOM 97 HD2 TYR C 14 -2.695 -0.904 -8.397 1.00 0.00 H ATOM 98 HE2 TYR C 14 -3.012 -3.327 -8.706 1.00 0.00 H ATOM 99 HE1 TYR C 14 -1.088 -3.089 -12.512 1.00 0.00 H ATOM 100 HD1 TYR C 14 -0.771 -0.671 -12.196 1.00 0.00 H ATOM 101 HH TYR C 14 -1.871 -4.995 -11.679 1.00 0.00 H ATOM 102 H TYR C 14 -0.917 1.601 -12.829 1.00 0.00 H ATOM 103 N ASP C 15 -3.015 3.645 -10.038 1.00 0.43 N ATOM 104 CA ASP C 15 -2.957 5.110 -9.772 1.00 0.46 C ATOM 105 C ASP C 15 -1.769 5.403 -8.855 1.00 0.44 C ATOM 106 O ASP C 15 -1.814 5.152 -7.667 1.00 0.55 O ATOM 107 CB ASP C 15 -4.253 5.560 -9.091 1.00 0.57 C ATOM 108 CG ASP C 15 -5.415 4.682 -9.560 1.00 1.53 C ATOM 109 OD1 ASP C 15 -5.740 4.742 -10.734 1.00 2.30 O ATOM 110 OD2 ASP C 15 -5.960 3.966 -8.737 1.00 2.24 O ATOM 111 HA ASP C 15 -2.840 5.650 -10.711 1.00 0.00 H ATOM 112 HB2 ASP C 15 -4.144 5.471 -8.010 1.00 0.00 H ATOM 113 HB3 ASP C 15 -4.456 6.599 -9.350 1.00 0.00 H ATOM 114 H ASP C 15 -3.683 3.048 -9.510 1.00 0.00 H ATOM 115 N TYR C 16 -0.705 5.934 -9.393 1.00 0.41 N ATOM 116 CA TYR C 16 0.481 6.239 -8.545 1.00 0.41 C ATOM 117 C TYR C 16 0.274 7.576 -7.832 1.00 0.46 C ATOM 118 O TYR C 16 0.143 8.610 -8.457 1.00 0.45 O ATOM 119 CB TYR C 16 1.733 6.316 -9.421 1.00 0.38 C ATOM 120 CG TYR C 16 2.957 6.596 -8.544 1.00 0.37 C ATOM 121 CD1 TYR C 16 2.975 6.209 -7.219 1.00 0.86 C ATOM 122 CD2 TYR C 16 4.060 7.242 -9.065 1.00 0.89 C ATOM 123 CE1 TYR C 16 4.078 6.463 -6.429 1.00 0.85 C ATOM 124 CE2 TYR C 16 5.163 7.496 -8.275 1.00 0.93 C ATOM 125 CZ TYR C 16 5.180 7.108 -6.951 1.00 0.43 C ATOM 126 OH TYR C 16 6.283 7.360 -6.161 1.00 0.48 O ATOM 127 HA TYR C 16 0.605 5.449 -7.804 1.00 0.00 H ATOM 128 HB3 TYR C 16 1.617 7.118 -10.150 1.00 0.00 H ATOM 129 HB2 TYR C 16 1.870 5.369 -9.943 1.00 0.00 H ATOM 130 HD2 TYR C 16 4.060 7.554 -10.109 1.00 0.00 H ATOM 131 HE2 TYR C 16 6.027 8.007 -8.700 1.00 0.00 H ATOM 132 HE1 TYR C 16 4.078 6.151 -5.384 1.00 0.00 H ATOM 133 HD1 TYR C 16 2.111 5.699 -6.793 1.00 0.00 H ATOM 134 HH TYR C 16 6.119 7.015 -5.248 1.00 0.00 H ATOM 135 H TYR C 16 -0.685 6.144 -10.411 1.00 0.00 H ATOM 136 N GLU C 17 0.247 7.563 -6.528 1.00 0.56 N ATOM 137 CA GLU C 17 0.050 8.831 -5.771 1.00 0.65 C ATOM 138 C GLU C 17 1.386 9.272 -5.170 1.00 0.77 C ATOM 139 O GLU C 17 1.515 9.445 -3.975 1.00 0.91 O ATOM 140 CB GLU C 17 -0.966 8.606 -4.650 1.00 0.74 C ATOM 141 CG GLU C 17 -2.248 9.379 -4.963 1.00 1.72 C ATOM 142 CD GLU C 17 -3.292 9.096 -3.880 1.00 2.10 C ATOM 143 OE1 GLU C 17 -2.985 8.342 -2.972 1.00 2.54 O ATOM 144 OE2 GLU C 17 -4.380 9.639 -3.978 1.00 2.60 O ATOM 145 HA GLU C 17 -0.322 9.604 -6.444 1.00 0.00 H ATOM 146 HB2 GLU C 17 -1.192 7.543 -4.572 1.00 0.00 H ATOM 147 HB3 GLU C 17 -0.550 8.958 -3.706 1.00 0.00 H ATOM 148 HG2 GLU C 17 -2.031 10.447 -4.989 1.00 0.00 H ATOM 149 HG3 GLU C 17 -2.635 9.064 -5.932 1.00 0.00 H ATOM 150 H GLU C 17 0.363 6.666 -6.016 1.00 0.00 H ATOM 151 N SER C 18 2.382 9.454 -5.993 1.00 0.82 N ATOM 152 CA SER C 18 3.712 9.882 -5.476 1.00 1.01 C ATOM 153 C SER C 18 3.530 11.017 -4.467 1.00 1.07 C ATOM 154 O SER C 18 2.573 11.764 -4.522 1.00 1.08 O ATOM 155 CB SER C 18 4.575 10.372 -6.639 1.00 1.13 C ATOM 156 OG SER C 18 5.576 11.252 -6.148 1.00 1.89 O ATOM 157 HA SER C 18 4.199 9.038 -4.988 1.00 0.00 H ATOM 158 HB2 SER C 18 3.949 10.899 -7.359 1.00 0.00 H ATOM 159 HB3 SER C 18 5.048 9.519 -7.126 1.00 0.00 H ATOM 160 HG SER C 18 6.134 11.569 -6.902 1.00 0.00 H ATOM 161 H SER C 18 2.247 9.300 -7.013 1.00 0.00 H ATOM 162 N ARG C 19 4.444 11.153 -3.546 1.00 1.22 N ATOM 163 CA ARG C 19 4.328 12.238 -2.532 1.00 1.35 C ATOM 164 C ARG C 19 5.588 13.103 -2.570 1.00 1.36 C ATOM 165 O ARG C 19 5.800 13.947 -1.721 1.00 1.61 O ATOM 166 CB ARG C 19 4.175 11.623 -1.139 1.00 1.61 C ATOM 167 CG ARG C 19 2.768 11.040 -0.987 1.00 1.87 C ATOM 168 CD ARG C 19 2.860 9.641 -0.376 1.00 2.55 C ATOM 169 NE ARG C 19 2.023 9.580 0.855 1.00 3.13 N ATOM 170 CZ ARG C 19 2.196 8.615 1.717 1.00 3.72 C ATOM 171 NH1 ARG C 19 3.108 7.703 1.507 1.00 3.99 N ATOM 172 NH2 ARG C 19 1.459 8.563 2.793 1.00 4.48 N ATOM 173 HA ARG C 19 3.455 12.852 -2.755 1.00 0.00 H ATOM 174 HB2 ARG C 19 4.912 10.831 -1.009 1.00 0.00 H ATOM 175 HB3 ARG C 19 4.333 12.392 -0.383 1.00 0.00 H ATOM 176 HG2 ARG C 19 2.176 11.683 -0.336 1.00 0.00 H ATOM 177 HG3 ARG C 19 2.292 10.979 -1.966 1.00 0.00 H ATOM 178 HD2 ARG C 19 3.897 9.423 -0.122 1.00 0.00 H ATOM 179 HD3 ARG C 19 2.502 8.905 -1.096 1.00 0.00 H ATOM 180 HE ARG C 19 1.300 10.307 1.028 1.00 0.00 H ATOM 181 HH12 ARG C 19 3.244 6.935 2.195 1.00 0.00 H ATOM 182 HH11 ARG C 19 3.698 7.745 0.652 1.00 0.00 H ATOM 183 HH22 ARG C 19 1.596 7.795 3.480 1.00 0.00 H ATOM 184 HH21 ARG C 19 0.735 9.290 2.963 1.00 0.00 H ATOM 185 H ARG C 19 5.255 10.503 -3.520 1.00 0.00 H ATOM 186 N THR C 20 6.428 12.900 -3.548 1.00 1.33 N ATOM 187 CA THR C 20 7.674 13.710 -3.640 1.00 1.46 C ATOM 188 C THR C 20 7.589 14.640 -4.852 1.00 1.19 C ATOM 189 O THR C 20 6.707 14.519 -5.679 1.00 1.22 O ATOM 190 CB THR C 20 8.878 12.777 -3.795 1.00 1.77 C ATOM 191 OG1 THR C 20 8.548 11.728 -4.695 1.00 2.31 O ATOM 192 CG2 THR C 20 9.247 12.187 -2.433 1.00 2.45 C ATOM 193 HA THR C 20 7.789 14.305 -2.734 1.00 0.00 H ATOM 194 HB THR C 20 9.726 13.339 -4.186 1.00 0.00 H ATOM 195 HG1 THR C 20 9.326 11.124 -4.796 1.00 0.00 H ATOM 196 HG23 THR C 20 9.500 12.994 -1.745 1.00 0.00 H ATOM 197 HG21 THR C 20 8.400 11.625 -2.040 1.00 0.00 H ATOM 198 HG22 THR C 20 10.104 11.523 -2.546 1.00 0.00 H ATOM 199 H THR C 20 6.227 12.172 -4.263 1.00 0.00 H ATOM 200 N GLU C 21 8.500 15.567 -4.964 1.00 1.37 N ATOM 201 CA GLU C 21 8.472 16.504 -6.121 1.00 1.52 C ATOM 202 C GLU C 21 9.296 15.926 -7.274 1.00 1.33 C ATOM 203 O GLU C 21 9.474 16.557 -8.297 1.00 1.84 O ATOM 204 CB GLU C 21 9.066 17.847 -5.696 1.00 2.07 C ATOM 205 CG GLU C 21 7.956 18.743 -5.142 1.00 2.42 C ATOM 206 CD GLU C 21 8.577 19.997 -4.523 1.00 3.02 C ATOM 207 OE1 GLU C 21 9.733 20.263 -4.806 1.00 3.47 O ATOM 208 OE2 GLU C 21 7.885 20.670 -3.777 1.00 3.53 O ATOM 209 HA GLU C 21 7.442 16.644 -6.449 1.00 0.00 H ATOM 210 HB2 GLU C 21 9.820 17.684 -4.926 1.00 0.00 H ATOM 211 HB3 GLU C 21 9.527 18.330 -6.558 1.00 0.00 H ATOM 212 HG2 GLU C 21 7.283 19.031 -5.950 1.00 0.00 H ATOM 213 HG3 GLU C 21 7.396 18.200 -4.380 1.00 0.00 H ATOM 214 H GLU C 21 9.246 15.652 -4.245 1.00 0.00 H ATOM 215 N THR C 22 9.800 14.732 -7.120 1.00 0.98 N ATOM 216 CA THR C 22 10.611 14.122 -8.211 1.00 0.93 C ATOM 217 C THR C 22 9.730 13.196 -9.052 1.00 0.87 C ATOM 218 O THR C 22 9.567 13.389 -10.241 1.00 1.36 O ATOM 219 CB THR C 22 11.760 13.314 -7.602 1.00 0.98 C ATOM 220 OG1 THR C 22 11.721 13.433 -6.188 1.00 1.17 O ATOM 221 CG2 THR C 22 13.096 13.846 -8.125 1.00 1.21 C ATOM 222 HA THR C 22 11.014 14.912 -8.845 1.00 0.00 H ATOM 223 HB THR C 22 11.656 12.266 -7.882 1.00 0.00 H ATOM 224 HG1 THR C 22 12.464 12.911 -5.793 1.00 0.00 H ATOM 225 HG23 THR C 22 13.123 13.753 -9.211 1.00 0.00 H ATOM 226 HG21 THR C 22 13.202 14.894 -7.846 1.00 0.00 H ATOM 227 HG22 THR C 22 13.911 13.268 -7.690 1.00 0.00 H ATOM 228 H THR C 22 9.636 14.207 -6.237 1.00 0.00 H ATOM 229 N ASP C 23 9.160 12.190 -8.448 1.00 0.60 N ATOM 230 CA ASP C 23 8.292 11.256 -9.220 1.00 0.50 C ATOM 231 C ASP C 23 6.938 11.915 -9.491 1.00 0.58 C ATOM 232 O ASP C 23 6.351 12.531 -8.623 1.00 0.72 O ATOM 233 CB ASP C 23 8.078 9.973 -8.413 1.00 0.51 C ATOM 234 CG ASP C 23 9.368 9.605 -7.679 1.00 0.67 C ATOM 235 OD1 ASP C 23 10.418 9.668 -8.298 1.00 1.48 O ATOM 236 OD2 ASP C 23 9.285 9.265 -6.511 1.00 1.03 O ATOM 237 HA ASP C 23 8.775 11.017 -10.167 1.00 0.00 H ATOM 238 HB2 ASP C 23 7.280 10.130 -7.687 1.00 0.00 H ATOM 239 HB3 ASP C 23 7.800 9.163 -9.087 1.00 0.00 H ATOM 240 H ASP C 23 9.311 12.040 -7.430 1.00 0.00 H ATOM 241 N LEU C 24 6.435 11.789 -10.689 1.00 0.61 N ATOM 242 CA LEU C 24 5.119 12.409 -11.015 1.00 0.74 C ATOM 243 C LEU C 24 3.999 11.412 -10.717 1.00 0.67 C ATOM 244 O LEU C 24 4.051 10.267 -11.119 1.00 1.00 O ATOM 245 CB LEU C 24 5.079 12.782 -12.498 1.00 0.90 C ATOM 246 CG LEU C 24 6.110 13.877 -12.778 1.00 0.85 C ATOM 247 CD1 LEU C 24 6.161 14.157 -14.282 1.00 1.43 C ATOM 248 CD2 LEU C 24 5.712 15.154 -12.036 1.00 1.39 C ATOM 249 HA LEU C 24 4.984 13.306 -10.410 1.00 0.00 H ATOM 250 HB2 LEU C 24 5.310 11.903 -13.100 1.00 0.00 H ATOM 251 HB3 LEU C 24 4.084 13.146 -12.755 1.00 0.00 H ATOM 252 HG LEU C 24 7.091 13.548 -12.436 1.00 0.00 H ATOM 253 HD21 LEU C 24 4.731 15.482 -12.380 1.00 0.00 H ATOM 254 HD22 LEU C 24 5.675 14.954 -10.965 1.00 0.00 H ATOM 255 HD23 LEU C 24 6.447 15.933 -12.236 1.00 0.00 H ATOM 256 HD11 LEU C 24 6.444 13.247 -14.810 1.00 0.00 H ATOM 257 HD12 LEU C 24 5.179 14.486 -14.623 1.00 0.00 H ATOM 258 HD13 LEU C 24 6.896 14.937 -14.480 1.00 0.00 H ATOM 259 H LEU C 24 6.953 11.256 -11.417 1.00 0.00 H ATOM 260 N SER C 25 2.985 11.836 -10.015 1.00 0.57 N ATOM 261 CA SER C 25 1.864 10.910 -9.695 1.00 0.53 C ATOM 262 C SER C 25 0.923 10.825 -10.897 1.00 0.54 C ATOM 263 O SER C 25 0.626 11.816 -11.534 1.00 0.67 O ATOM 264 CB SER C 25 1.096 11.436 -8.482 1.00 0.63 C ATOM 265 OG SER C 25 1.748 12.591 -7.975 1.00 0.74 O ATOM 266 HA SER C 25 2.261 9.920 -9.469 1.00 0.00 H ATOM 267 HB2 SER C 25 1.065 10.667 -7.710 1.00 0.00 H ATOM 268 HB3 SER C 25 0.079 11.693 -8.779 1.00 0.00 H ATOM 269 HG SER C 25 1.251 12.931 -7.190 1.00 0.00 H ATOM 270 H SER C 25 2.959 12.820 -9.679 1.00 0.00 H ATOM 271 N PHE C 26 0.450 9.652 -11.215 1.00 0.45 N ATOM 272 CA PHE C 26 -0.471 9.517 -12.378 1.00 0.47 C ATOM 273 C PHE C 26 -1.656 8.629 -12.002 1.00 0.46 C ATOM 274 O PHE C 26 -1.741 8.118 -10.902 1.00 0.45 O ATOM 275 CB PHE C 26 0.276 8.889 -13.556 1.00 0.44 C ATOM 276 CG PHE C 26 1.026 7.643 -13.083 1.00 0.36 C ATOM 277 CD1 PHE C 26 0.402 6.410 -13.091 1.00 1.17 C ATOM 278 CD2 PHE C 26 2.335 7.733 -12.648 1.00 1.24 C ATOM 279 CE1 PHE C 26 1.078 5.282 -12.670 1.00 1.19 C ATOM 280 CE2 PHE C 26 3.010 6.605 -12.227 1.00 1.24 C ATOM 281 CZ PHE C 26 2.381 5.380 -12.238 1.00 0.41 C ATOM 282 HA PHE C 26 -0.834 10.505 -12.660 1.00 0.00 H ATOM 283 HB2 PHE C 26 -0.438 8.611 -14.331 1.00 0.00 H ATOM 284 HB3 PHE C 26 0.987 9.609 -13.960 1.00 0.00 H ATOM 285 HD2 PHE C 26 2.837 8.700 -12.637 1.00 0.00 H ATOM 286 HE2 PHE C 26 4.042 6.684 -11.885 1.00 0.00 H ATOM 287 HZ PHE C 26 2.914 4.490 -11.905 1.00 0.00 H ATOM 288 HE1 PHE C 26 0.579 4.313 -12.680 1.00 0.00 H ATOM 289 HD1 PHE C 26 -0.630 6.327 -13.432 1.00 0.00 H ATOM 290 H PHE C 26 0.715 8.814 -10.659 1.00 0.00 H ATOM 291 N LYS C 27 -2.569 8.441 -12.913 1.00 0.49 N ATOM 292 CA LYS C 27 -3.755 7.588 -12.620 1.00 0.51 C ATOM 293 C LYS C 27 -3.826 6.449 -13.639 1.00 0.48 C ATOM 294 O LYS C 27 -3.011 6.352 -14.535 1.00 0.58 O ATOM 295 CB LYS C 27 -5.027 8.432 -12.713 1.00 0.61 C ATOM 296 CG LYS C 27 -5.264 9.146 -11.381 1.00 1.52 C ATOM 297 CD LYS C 27 -6.758 9.436 -11.215 1.00 1.96 C ATOM 298 CE LYS C 27 -7.244 10.298 -12.381 1.00 2.35 C ATOM 299 NZ LYS C 27 -8.694 10.596 -12.207 1.00 2.79 N ATOM 300 HA LYS C 27 -3.666 7.175 -11.615 1.00 0.00 H ATOM 301 HB2 LYS C 27 -4.916 9.171 -13.507 1.00 0.00 H ATOM 302 HB3 LYS C 27 -5.876 7.786 -12.936 1.00 0.00 H ATOM 303 HG2 LYS C 27 -4.924 8.511 -10.563 1.00 0.00 H ATOM 304 HG3 LYS C 27 -4.708 10.083 -11.367 1.00 0.00 H ATOM 305 HD2 LYS C 27 -7.311 8.497 -11.202 1.00 0.00 H ATOM 306 HD3 LYS C 27 -6.923 9.967 -10.277 1.00 0.00 H ATOM 307 HE2 LYS C 27 -7.093 9.762 -13.318 1.00 0.00 H ATOM 308 HE3 LYS C 27 -6.681 11.231 -12.403 1.00 0.00 H ATOM 309 HZ1 LYS C 27 -9.230 9.705 -12.187 1.00 0.00 H ATOM 310 HZ2 LYS C 27 -8.837 11.108 -11.313 1.00 0.00 H ATOM 311 HZ3 LYS C 27 -9.024 11.182 -13.000 1.00 0.00 H ATOM 312 H LYS C 27 -2.469 8.888 -13.847 1.00 0.00 H ATOM 313 N LYS C 28 -4.797 5.587 -13.511 1.00 0.49 N ATOM 314 CA LYS C 28 -4.921 4.455 -14.472 1.00 0.51 C ATOM 315 C LYS C 28 -5.510 4.970 -15.789 1.00 0.52 C ATOM 316 O LYS C 28 -6.450 5.740 -15.801 1.00 0.71 O ATOM 317 CB LYS C 28 -5.840 3.383 -13.876 1.00 0.57 C ATOM 318 CG LYS C 28 -6.313 2.430 -14.977 1.00 0.69 C ATOM 319 CD LYS C 28 -7.098 1.275 -14.349 1.00 1.38 C ATOM 320 CE LYS C 28 -8.551 1.325 -14.827 1.00 1.77 C ATOM 321 NZ LYS C 28 -9.291 0.149 -14.290 1.00 2.29 N ATOM 322 HA LYS C 28 -3.939 4.023 -14.662 1.00 0.00 H ATOM 323 HB2 LYS C 28 -5.294 2.819 -13.119 1.00 0.00 H ATOM 324 HB3 LYS C 28 -6.705 3.862 -13.417 1.00 0.00 H ATOM 325 HG2 LYS C 28 -6.954 2.969 -15.674 1.00 0.00 H ATOM 326 HG3 LYS C 28 -5.449 2.035 -15.512 1.00 0.00 H ATOM 327 HD2 LYS C 28 -6.650 0.327 -14.646 1.00 0.00 H ATOM 328 HD3 LYS C 28 -7.069 1.364 -13.263 1.00 0.00 H ATOM 329 HE2 LYS C 28 -8.576 1.304 -15.917 1.00 0.00 H ATOM 330 HE3 LYS C 28 -9.019 2.243 -14.471 1.00 0.00 H ATOM 331 HZ1 LYS C 28 -8.843 -0.726 -14.630 1.00 0.00 H ATOM 332 HZ2 LYS C 28 -9.266 0.171 -13.251 1.00 0.00 H ATOM 333 HZ3 LYS C 28 -10.278 0.184 -14.615 1.00 0.00 H ATOM 334 H LYS C 28 -5.485 5.690 -12.738 1.00 0.00 H ATOM 335 N GLY C 29 -4.964 4.549 -16.897 1.00 0.55 N ATOM 336 CA GLY C 29 -5.490 5.013 -18.211 1.00 0.64 C ATOM 337 C GLY C 29 -4.582 6.112 -18.764 1.00 0.58 C ATOM 338 O GLY C 29 -4.693 6.506 -19.908 1.00 0.64 O ATOM 339 HA3 GLY C 29 -6.498 5.406 -18.081 1.00 0.00 H ATOM 340 HA2 GLY C 29 -5.515 4.176 -18.909 1.00 0.00 H ATOM 341 H GLY C 29 -4.161 3.889 -16.863 1.00 0.00 H ATOM 342 N GLU C 30 -3.683 6.611 -17.961 1.00 0.58 N ATOM 343 CA GLU C 30 -2.769 7.685 -18.442 1.00 0.57 C ATOM 344 C GLU C 30 -1.552 7.054 -19.122 1.00 0.47 C ATOM 345 O GLU C 30 -0.922 6.164 -18.586 1.00 0.50 O ATOM 346 CB GLU C 30 -2.308 8.531 -17.254 1.00 0.66 C ATOM 347 CG GLU C 30 -1.282 9.561 -17.730 1.00 0.74 C ATOM 348 CD GLU C 30 -1.411 10.834 -16.890 1.00 1.07 C ATOM 349 OE1 GLU C 30 -1.753 10.719 -15.725 1.00 1.55 O ATOM 350 OE2 GLU C 30 -1.165 11.901 -17.427 1.00 1.73 O ATOM 351 HA GLU C 30 -3.296 8.317 -19.156 1.00 0.00 H ATOM 352 HB2 GLU C 30 -3.165 9.045 -16.819 1.00 0.00 H ATOM 353 HB3 GLU C 30 -1.854 7.886 -16.502 1.00 0.00 H ATOM 354 HG2 GLU C 30 -0.278 9.152 -17.619 1.00 0.00 H ATOM 355 HG3 GLU C 30 -1.463 9.797 -18.779 1.00 0.00 H ATOM 356 H GLU C 30 -3.604 6.259 -16.985 1.00 0.00 H ATOM 357 N ARG C 31 -1.219 7.507 -20.299 1.00 0.53 N ATOM 358 CA ARG C 31 -0.043 6.934 -21.012 1.00 0.51 C ATOM 359 C ARG C 31 1.237 7.600 -20.503 1.00 0.48 C ATOM 360 O ARG C 31 1.228 8.736 -20.073 1.00 0.61 O ATOM 361 CB ARG C 31 -0.184 7.187 -22.515 1.00 0.61 C ATOM 362 CG ARG C 31 -1.622 6.899 -22.951 1.00 0.90 C ATOM 363 CD ARG C 31 -1.811 7.339 -24.405 1.00 1.38 C ATOM 364 NE ARG C 31 -3.077 6.763 -24.939 1.00 1.88 N ATOM 365 CZ ARG C 31 -3.137 5.501 -25.270 1.00 2.67 C ATOM 366 NH1 ARG C 31 -2.085 4.737 -25.139 1.00 3.15 N ATOM 367 NH2 ARG C 31 -4.249 5.002 -25.736 1.00 3.46 N ATOM 368 HA ARG C 31 0.006 5.861 -20.826 1.00 0.00 H ATOM 369 HB2 ARG C 31 0.060 8.227 -22.733 1.00 0.00 H ATOM 370 HB3 ARG C 31 0.498 6.533 -23.059 1.00 0.00 H ATOM 371 HG2 ARG C 31 -1.821 5.831 -22.865 1.00 0.00 H ATOM 372 HG3 ARG C 31 -2.313 7.449 -22.312 1.00 0.00 H ATOM 373 HD2 ARG C 31 -0.971 6.987 -25.003 1.00 0.00 H ATOM 374 HD3 ARG C 31 -1.858 8.427 -24.452 1.00 0.00 H ATOM 375 HE ARG C 31 -3.916 7.368 -25.049 1.00 0.00 H ATOM 376 HH12 ARG C 31 -2.136 3.732 -25.403 1.00 0.00 H ATOM 377 HH11 ARG C 31 -1.197 5.134 -24.770 1.00 0.00 H ATOM 378 HH22 ARG C 31 -4.298 3.997 -26.000 1.00 0.00 H ATOM 379 HH21 ARG C 31 -5.087 5.609 -25.844 1.00 0.00 H ATOM 380 H ARG C 31 -1.774 8.268 -20.740 1.00 0.00 H ATOM 381 N LEU C 32 2.339 6.901 -20.545 1.00 0.41 N ATOM 382 CA LEU C 32 3.618 7.496 -20.063 1.00 0.44 C ATOM 383 C LEU C 32 4.756 7.078 -20.996 1.00 0.41 C ATOM 384 O LEU C 32 4.993 5.907 -21.215 1.00 0.53 O ATOM 385 CB LEU C 32 3.914 7.000 -18.645 1.00 0.53 C ATOM 386 CG LEU C 32 2.863 7.554 -17.680 1.00 0.56 C ATOM 387 CD1 LEU C 32 2.262 6.406 -16.867 1.00 0.74 C ATOM 388 CD2 LEU C 32 3.520 8.560 -16.732 1.00 0.67 C ATOM 389 HA LEU C 32 3.532 8.583 -20.055 1.00 0.00 H ATOM 390 HB2 LEU C 32 3.885 5.911 -18.628 1.00 0.00 H ATOM 391 HB3 LEU C 32 4.903 7.341 -18.340 1.00 0.00 H ATOM 392 HG LEU C 32 2.075 8.050 -18.247 1.00 0.00 H ATOM 393 HD21 LEU C 32 4.308 8.063 -16.166 1.00 0.00 H ATOM 394 HD22 LEU C 32 3.948 9.378 -17.312 1.00 0.00 H ATOM 395 HD23 LEU C 32 2.770 8.954 -16.046 1.00 0.00 H ATOM 396 HD11 LEU C 32 1.794 5.690 -17.543 1.00 0.00 H ATOM 397 HD12 LEU C 32 3.051 5.911 -16.301 1.00 0.00 H ATOM 398 HD13 LEU C 32 1.514 6.802 -16.180 1.00 0.00 H ATOM 399 H LEU C 32 2.324 5.929 -20.915 1.00 0.00 H ATOM 400 N GLN C 33 5.463 8.026 -21.551 1.00 0.50 N ATOM 401 CA GLN C 33 6.583 7.675 -22.469 1.00 0.52 C ATOM 402 C GLN C 33 7.758 7.136 -21.652 1.00 0.49 C ATOM 403 O GLN C 33 8.586 7.883 -21.169 1.00 0.72 O ATOM 404 CB GLN C 33 7.023 8.921 -23.239 1.00 0.66 C ATOM 405 CG GLN C 33 7.650 8.501 -24.570 1.00 1.04 C ATOM 406 CD GLN C 33 7.633 9.685 -25.538 1.00 1.48 C ATOM 407 OE1 GLN C 33 6.594 10.051 -26.051 1.00 2.15 O ATOM 408 NE2 GLN C 33 8.749 10.303 -25.811 1.00 2.03 N ATOM 409 HA GLN C 33 6.251 6.914 -23.175 1.00 0.00 H ATOM 410 HB2 GLN C 33 6.158 9.556 -23.429 1.00 0.00 H ATOM 411 HB3 GLN C 33 7.755 9.473 -22.650 1.00 0.00 H ATOM 412 HG2 GLN C 33 8.679 8.183 -24.403 1.00 0.00 H ATOM 413 HG3 GLN C 33 7.080 7.675 -24.996 1.00 0.00 H ATOM 414 HE22 GLN C 33 9.638 9.989 -25.372 1.00 0.00 H ATOM 415 HE21 GLN C 33 8.750 11.109 -26.468 1.00 0.00 H ATOM 416 H GLN C 33 5.245 9.023 -21.353 1.00 0.00 H ATOM 417 N ILE C 34 7.836 5.844 -21.494 1.00 0.50 N ATOM 418 CA ILE C 34 8.957 5.257 -20.709 1.00 0.49 C ATOM 419 C ILE C 34 10.290 5.770 -21.259 1.00 0.49 C ATOM 420 O ILE C 34 10.426 6.036 -22.437 1.00 0.61 O ATOM 421 CB ILE C 34 8.915 3.734 -20.820 1.00 0.57 C ATOM 422 CG1 ILE C 34 7.668 3.201 -20.112 1.00 0.66 C ATOM 423 CG2 ILE C 34 10.165 3.146 -20.162 1.00 0.55 C ATOM 424 CD1 ILE C 34 7.654 3.690 -18.663 1.00 0.58 C ATOM 425 HA ILE C 34 8.858 5.549 -19.663 1.00 0.00 H ATOM 426 HB ILE C 34 8.883 3.446 -21.871 1.00 0.00 H ATOM 427 HG12 ILE C 34 6.777 3.561 -20.626 1.00 0.00 H ATOM 428 HG13 ILE C 34 7.679 2.111 -20.128 1.00 0.00 H ATOM 429 HD11 ILE C 34 8.545 3.328 -18.150 1.00 0.00 H ATOM 430 HD12 ILE C 34 7.642 4.780 -18.649 1.00 0.00 H ATOM 431 HD13 ILE C 34 6.765 3.309 -18.161 1.00 0.00 H ATOM 432 HG21 ILE C 34 11.053 3.526 -20.668 1.00 0.00 H ATOM 433 HG22 ILE C 34 10.192 3.436 -19.112 1.00 0.00 H ATOM 434 HG23 ILE C 34 10.138 2.059 -20.240 1.00 0.00 H ATOM 435 H ILE C 34 7.116 5.224 -21.916 1.00 0.00 H ATOM 436 N VAL C 35 11.274 5.908 -20.414 1.00 0.43 N ATOM 437 CA VAL C 35 12.599 6.403 -20.882 1.00 0.48 C ATOM 438 C VAL C 35 13.630 5.280 -20.778 1.00 0.58 C ATOM 439 O VAL C 35 13.872 4.551 -21.720 1.00 0.76 O ATOM 440 CB VAL C 35 13.041 7.574 -20.002 1.00 0.47 C ATOM 441 CG1 VAL C 35 14.470 7.980 -20.371 1.00 0.58 C ATOM 442 CG2 VAL C 35 12.100 8.759 -20.224 1.00 0.49 C ATOM 443 HA VAL C 35 12.519 6.730 -21.919 1.00 0.00 H ATOM 444 HB VAL C 35 13.009 7.275 -18.954 1.00 0.00 H ATOM 445 HG11 VAL C 35 15.139 7.134 -20.213 1.00 0.00 H ATOM 446 HG12 VAL C 35 14.502 8.280 -21.418 1.00 0.00 H ATOM 447 HG13 VAL C 35 14.783 8.814 -19.743 1.00 0.00 H ATOM 448 HG21 VAL C 35 12.134 9.057 -21.272 1.00 0.00 H ATOM 449 HG22 VAL C 35 11.083 8.468 -19.961 1.00 0.00 H ATOM 450 HG23 VAL C 35 12.415 9.593 -19.597 1.00 0.00 H ATOM 451 H VAL C 35 11.133 5.672 -19.411 1.00 0.00 H ATOM 452 N ASN C 36 14.239 5.139 -19.636 1.00 0.67 N ATOM 453 CA ASN C 36 15.256 4.068 -19.455 1.00 0.78 C ATOM 454 C ASN C 36 14.853 3.198 -18.267 1.00 0.84 C ATOM 455 O ASN C 36 14.389 3.690 -17.258 1.00 1.17 O ATOM 456 CB ASN C 36 16.621 4.701 -19.181 1.00 1.19 C ATOM 457 CG ASN C 36 17.725 3.803 -19.742 1.00 1.48 C ATOM 458 OD1 ASN C 36 17.449 2.770 -20.320 1.00 1.62 O ATOM 459 ND2 ASN C 36 18.972 4.155 -19.593 1.00 2.23 N ATOM 460 HA ASN C 36 15.315 3.459 -20.357 1.00 0.00 H ATOM 461 HB2 ASN C 36 16.670 5.679 -19.660 1.00 0.00 H ATOM 462 HB3 ASN C 36 16.758 4.817 -18.106 1.00 0.00 H ATOM 463 HD22 ASN C 36 19.207 5.039 -19.098 1.00 0.00 H ATOM 464 HD21 ASN C 36 19.731 3.552 -19.969 1.00 0.00 H ATOM 465 H ASN C 36 14.014 5.778 -18.847 1.00 0.00 H ATOM 466 N ASN C 37 15.023 1.911 -18.371 1.00 1.16 N ATOM 467 CA ASN C 37 14.641 1.031 -17.235 1.00 1.49 C ATOM 468 C ASN C 37 14.804 -0.438 -17.624 1.00 1.12 C ATOM 469 O ASN C 37 14.319 -0.881 -18.646 1.00 1.83 O ATOM 470 CB ASN C 37 13.185 1.291 -16.860 1.00 2.57 C ATOM 471 CG ASN C 37 12.384 1.639 -18.114 1.00 3.54 C ATOM 472 OD1 ASN C 37 12.068 2.789 -18.350 1.00 4.03 O ATOM 473 ND2 ASN C 37 12.037 0.686 -18.932 1.00 4.16 N ATOM 474 HA ASN C 37 15.290 1.249 -16.387 1.00 0.00 H ATOM 475 HB2 ASN C 37 12.765 0.398 -16.398 1.00 0.00 H ATOM 476 HB3 ASN C 37 13.135 2.121 -16.156 1.00 0.00 H ATOM 477 HD22 ASN C 37 12.308 -0.297 -18.729 1.00 0.00 H ATOM 478 HD21 ASN C 37 11.489 0.909 -19.788 1.00 0.00 H ATOM 479 H ASN C 37 15.422 1.503 -19.240 1.00 0.00 H ATOM 480 N THR C 38 15.480 -1.192 -16.806 1.00 1.25 N ATOM 481 CA THR C 38 15.687 -2.633 -17.104 1.00 1.79 C ATOM 482 C THR C 38 16.587 -3.236 -16.026 1.00 2.04 C ATOM 483 O THR C 38 17.380 -4.118 -16.286 1.00 2.82 O ATOM 484 CB THR C 38 16.357 -2.777 -18.469 1.00 2.31 C ATOM 485 OG1 THR C 38 16.532 -4.155 -18.766 1.00 3.06 O ATOM 486 CG2 THR C 38 17.717 -2.079 -18.449 1.00 2.50 C ATOM 487 HA THR C 38 14.729 -3.152 -17.117 1.00 0.00 H ATOM 488 HB THR C 38 15.729 -2.318 -19.232 1.00 0.00 H ATOM 489 HG1 THR C 38 17.102 -4.571 -18.072 1.00 0.00 H ATOM 490 HG23 THR C 38 17.578 -1.022 -18.221 1.00 0.00 H ATOM 491 HG21 THR C 38 18.348 -2.537 -17.687 1.00 0.00 H ATOM 492 HG22 THR C 38 18.191 -2.182 -19.425 1.00 0.00 H ATOM 493 H THR C 38 15.878 -0.783 -15.937 1.00 0.00 H ATOM 494 N GLU C 39 16.468 -2.765 -14.814 1.00 1.84 N ATOM 495 CA GLU C 39 17.315 -3.307 -13.719 1.00 2.35 C ATOM 496 C GLU C 39 16.544 -3.257 -12.402 1.00 1.66 C ATOM 497 O GLU C 39 16.360 -4.258 -11.737 1.00 2.17 O ATOM 498 CB GLU C 39 18.574 -2.450 -13.590 1.00 3.15 C ATOM 499 CG GLU C 39 19.797 -3.262 -14.015 1.00 4.08 C ATOM 500 CD GLU C 39 21.067 -2.511 -13.612 1.00 4.82 C ATOM 501 OE1 GLU C 39 21.363 -2.481 -12.429 1.00 5.46 O ATOM 502 OE2 GLU C 39 21.721 -1.977 -14.493 1.00 5.07 O ATOM 503 HA GLU C 39 17.585 -4.338 -13.946 1.00 0.00 H ATOM 504 HB2 GLU C 39 18.482 -1.572 -14.229 1.00 0.00 H ATOM 505 HB3 GLU C 39 18.692 -2.133 -12.554 1.00 0.00 H ATOM 506 HG2 GLU C 39 19.777 -4.235 -13.524 1.00 0.00 H ATOM 507 HG3 GLU C 39 19.784 -3.402 -15.096 1.00 0.00 H ATOM 508 H GLU C 39 15.781 -2.011 -14.615 1.00 0.00 H ATOM 509 N GLY C 40 16.089 -2.097 -12.025 1.00 1.33 N ATOM 510 CA GLY C 40 15.330 -1.970 -10.751 1.00 1.12 C ATOM 511 C GLY C 40 13.828 -1.935 -11.025 1.00 1.10 C ATOM 512 O GLY C 40 13.373 -2.213 -12.118 1.00 1.83 O ATOM 513 HA3 GLY C 40 15.625 -1.049 -10.248 1.00 0.00 H ATOM 514 HA2 GLY C 40 15.558 -2.822 -10.110 1.00 0.00 H ATOM 515 H GLY C 40 16.256 -1.257 -12.615 1.00 0.00 H ATOM 516 N ASP C 41 13.056 -1.591 -10.031 1.00 0.64 N ATOM 517 CA ASP C 41 11.581 -1.531 -10.207 1.00 0.63 C ATOM 518 C ASP C 41 11.146 -0.076 -10.385 1.00 0.51 C ATOM 519 O ASP C 41 9.973 0.234 -10.381 1.00 0.84 O ATOM 520 CB ASP C 41 10.903 -2.112 -8.966 1.00 0.75 C ATOM 521 CG ASP C 41 11.331 -3.570 -8.786 1.00 1.12 C ATOM 522 OD1 ASP C 41 11.547 -4.231 -9.788 1.00 1.44 O ATOM 523 OD2 ASP C 41 11.437 -4.000 -7.649 1.00 1.90 O ATOM 524 HA ASP C 41 11.295 -2.106 -11.088 1.00 0.00 H ATOM 525 HB2 ASP C 41 11.196 -1.536 -8.088 1.00 0.00 H ATOM 526 HB3 ASP C 41 9.821 -2.063 -9.086 1.00 0.00 H ATOM 527 H ASP C 41 13.476 -1.357 -9.109 1.00 0.00 H ATOM 528 N TRP C 42 12.079 0.823 -10.534 1.00 0.51 N ATOM 529 CA TRP C 42 11.707 2.254 -10.711 1.00 0.38 C ATOM 530 C TRP C 42 12.244 2.754 -12.049 1.00 0.38 C ATOM 531 O TRP C 42 13.431 2.734 -12.302 1.00 0.49 O ATOM 532 CB TRP C 42 12.293 3.079 -9.567 1.00 0.47 C ATOM 533 CG TRP C 42 11.422 2.875 -8.329 1.00 0.43 C ATOM 534 CD1 TRP C 42 11.596 1.905 -7.415 1.00 0.48 C ATOM 535 CD2 TRP C 42 10.346 3.596 -8.028 1.00 0.39 C ATOM 536 NE1 TRP C 42 10.579 2.084 -6.571 1.00 0.44 N ATOM 537 CE2 TRP C 42 9.751 3.115 -6.878 1.00 0.39 C ATOM 538 CE3 TRP C 42 9.798 4.679 -8.687 1.00 0.41 C ATOM 539 CZ2 TRP C 42 8.608 3.714 -6.391 1.00 0.39 C ATOM 540 CZ3 TRP C 42 8.656 5.278 -8.198 1.00 0.44 C ATOM 541 CH2 TRP C 42 8.061 4.795 -7.050 1.00 0.43 C ATOM 542 HA TRP C 42 10.622 2.357 -10.701 1.00 0.00 H ATOM 543 HB2 TRP C 42 13.311 2.750 -9.359 1.00 0.00 H ATOM 544 HB3 TRP C 42 12.302 4.134 -9.841 1.00 0.00 H ATOM 545 HE1 TRP C 42 10.431 1.478 -5.739 1.00 0.00 H ATOM 546 HD1 TRP C 42 12.382 1.151 -7.373 1.00 0.00 H ATOM 547 HZ2 TRP C 42 8.137 3.333 -5.485 1.00 0.00 H ATOM 548 HH2 TRP C 42 7.158 5.268 -6.664 1.00 0.00 H ATOM 549 HZ3 TRP C 42 8.223 6.133 -8.718 1.00 0.00 H ATOM 550 HE3 TRP C 42 10.268 5.060 -9.594 1.00 0.00 H ATOM 551 H TRP C 42 13.080 0.541 -10.529 1.00 0.00 H ATOM 552 N TRP C 43 11.374 3.204 -12.908 1.00 0.31 N ATOM 553 CA TRP C 43 11.825 3.705 -14.233 1.00 0.32 C ATOM 554 C TRP C 43 11.527 5.199 -14.361 1.00 0.31 C ATOM 555 O TRP C 43 10.776 5.763 -13.591 1.00 0.35 O ATOM 556 CB TRP C 43 11.075 2.942 -15.324 1.00 0.36 C ATOM 557 CG TRP C 43 11.116 1.445 -15.012 1.00 0.41 C ATOM 558 CD1 TRP C 43 12.040 0.845 -14.240 1.00 0.53 C ATOM 559 CD2 TRP C 43 10.274 0.538 -15.502 1.00 0.40 C ATOM 560 NE1 TRP C 43 11.710 -0.446 -14.299 1.00 0.56 N ATOM 561 CE2 TRP C 43 10.622 -0.727 -15.065 1.00 0.48 C ATOM 562 CE3 TRP C 43 9.183 0.706 -16.332 1.00 0.39 C ATOM 563 CZ2 TRP C 43 9.880 -1.821 -15.462 1.00 0.52 C ATOM 564 CZ3 TRP C 43 8.442 -0.388 -16.728 1.00 0.48 C ATOM 565 CH2 TRP C 43 8.791 -1.651 -16.294 1.00 0.52 C ATOM 566 HA TRP C 43 12.899 3.552 -14.335 1.00 0.00 H ATOM 567 HB2 TRP C 43 10.039 3.279 -15.358 1.00 0.00 H ATOM 568 HB3 TRP C 43 11.548 3.126 -16.289 1.00 0.00 H ATOM 569 HE1 TRP C 43 12.245 -1.183 -13.797 1.00 0.00 H ATOM 570 HD1 TRP C 43 12.864 1.305 -13.695 1.00 0.00 H ATOM 571 HZ2 TRP C 43 10.153 -2.819 -15.119 1.00 0.00 H ATOM 572 HH2 TRP C 43 8.206 -2.515 -16.608 1.00 0.00 H ATOM 573 HZ3 TRP C 43 7.581 -0.255 -17.383 1.00 0.00 H ATOM 574 HE3 TRP C 43 8.907 1.703 -16.674 1.00 0.00 H ATOM 575 H TRP C 43 10.362 3.213 -12.666 1.00 0.00 H ATOM 576 N LEU C 44 12.114 5.843 -15.332 1.00 0.33 N ATOM 577 CA LEU C 44 11.871 7.296 -15.517 1.00 0.35 C ATOM 578 C LEU C 44 10.984 7.478 -16.745 1.00 0.34 C ATOM 579 O LEU C 44 11.299 7.006 -17.819 1.00 0.47 O ATOM 580 CB LEU C 44 13.205 8.012 -15.736 1.00 0.45 C ATOM 581 CG LEU C 44 12.953 9.500 -15.983 1.00 0.49 C ATOM 582 CD1 LEU C 44 14.098 10.313 -15.380 1.00 1.09 C ATOM 583 CD2 LEU C 44 12.880 9.765 -17.487 1.00 0.98 C ATOM 584 HA LEU C 44 11.385 7.715 -14.636 1.00 0.00 H ATOM 585 HB2 LEU C 44 13.831 7.891 -14.852 1.00 0.00 H ATOM 586 HB3 LEU C 44 13.711 7.581 -16.600 1.00 0.00 H ATOM 587 HG LEU C 44 12.011 9.791 -15.518 1.00 0.00 H ATOM 588 HD21 LEU C 44 13.822 9.474 -17.952 1.00 0.00 H ATOM 589 HD22 LEU C 44 12.066 9.183 -17.918 1.00 0.00 H ATOM 590 HD23 LEU C 44 12.700 10.826 -17.659 1.00 0.00 H ATOM 591 HD11 LEU C 44 14.151 10.124 -14.308 1.00 0.00 H ATOM 592 HD12 LEU C 44 15.037 10.019 -15.849 1.00 0.00 H ATOM 593 HD13 LEU C 44 13.920 11.374 -15.555 1.00 0.00 H ATOM 594 H LEU C 44 12.754 5.338 -15.978 1.00 0.00 H ATOM 595 N ALA C 45 9.875 8.145 -16.608 1.00 0.33 N ATOM 596 CA ALA C 45 8.994 8.334 -17.790 1.00 0.39 C ATOM 597 C ALA C 45 8.786 9.824 -18.054 1.00 0.42 C ATOM 598 O ALA C 45 9.182 10.668 -17.275 1.00 0.51 O ATOM 599 CB ALA C 45 7.641 7.668 -17.534 1.00 0.51 C ATOM 600 HA ALA C 45 9.466 7.879 -18.661 1.00 0.00 H ATOM 601 HB1 ALA C 45 7.789 6.602 -17.359 1.00 0.00 H ATOM 602 HB2 ALA C 45 7.175 8.120 -16.658 1.00 0.00 H ATOM 603 HB3 ALA C 45 6.998 7.809 -18.403 1.00 0.00 H ATOM 604 H ALA C 45 9.609 8.541 -15.684 1.00 0.00 H ATOM 605 N HIS C 46 8.163 10.147 -19.151 1.00 0.49 N ATOM 606 CA HIS C 46 7.920 11.576 -19.482 1.00 0.57 C ATOM 607 C HIS C 46 6.487 11.729 -19.999 1.00 0.69 C ATOM 608 O HIS C 46 6.092 11.098 -20.960 1.00 0.86 O ATOM 609 CB HIS C 46 8.919 12.019 -20.556 1.00 0.65 C ATOM 610 CG HIS C 46 8.443 13.320 -21.207 1.00 0.70 C ATOM 611 ND1 HIS C 46 8.680 14.485 -20.768 1.00 0.86 N ATOM 612 CD2 HIS C 46 7.697 13.515 -22.354 1.00 1.24 C ATOM 613 CE1 HIS C 46 8.154 15.369 -21.529 1.00 1.07 C ATOM 614 NE2 HIS C 46 7.515 14.830 -22.555 1.00 1.36 N ATOM 615 HA HIS C 46 8.051 12.197 -18.596 1.00 0.00 H ATOM 616 HB2 HIS C 46 9.895 12.180 -20.098 1.00 0.00 H ATOM 617 HB3 HIS C 46 9.000 11.243 -21.317 1.00 0.00 H ATOM 618 HD2 HIS C 46 7.315 12.722 -22.997 1.00 0.00 H ATOM 619 HE1 HIS C 46 8.224 16.442 -21.353 1.00 0.00 H ATOM 620 H HIS C 46 7.834 9.402 -19.798 1.00 0.00 H ATOM 621 N SER C 47 5.703 12.557 -19.364 1.00 0.90 N ATOM 622 CA SER C 47 4.297 12.750 -19.817 1.00 1.09 C ATOM 623 C SER C 47 4.282 13.603 -21.086 1.00 0.99 C ATOM 624 O SER C 47 4.986 14.587 -21.192 1.00 1.84 O ATOM 625 CB SER C 47 3.501 13.457 -18.717 1.00 1.61 C ATOM 626 OG SER C 47 3.545 12.681 -17.529 1.00 2.09 O ATOM 627 HA SER C 47 3.846 11.780 -20.027 1.00 0.00 H ATOM 628 HB2 SER C 47 2.465 13.575 -19.036 1.00 0.00 H ATOM 629 HB3 SER C 47 3.936 14.438 -18.527 1.00 0.00 H ATOM 630 HG SER C 47 3.030 13.139 -16.818 1.00 0.00 H ATOM 631 H SER C 47 6.060 13.083 -18.541 1.00 0.00 H ATOM 632 N LEU C 48 3.485 13.233 -22.051 1.00 0.90 N ATOM 633 CA LEU C 48 3.426 14.023 -23.313 1.00 1.32 C ATOM 634 C LEU C 48 2.323 15.076 -23.204 1.00 1.30 C ATOM 635 O LEU C 48 1.709 15.449 -24.184 1.00 1.58 O ATOM 636 CB LEU C 48 3.130 13.088 -24.486 1.00 1.98 C ATOM 637 CG LEU C 48 3.924 11.793 -24.315 1.00 2.24 C ATOM 638 CD1 LEU C 48 3.694 10.889 -25.528 1.00 2.71 C ATOM 639 CD2 LEU C 48 5.414 12.119 -24.196 1.00 2.49 C ATOM 640 HA LEU C 48 4.383 14.518 -23.478 1.00 0.00 H ATOM 641 HB2 LEU C 48 2.064 12.861 -24.511 1.00 0.00 H ATOM 642 HB3 LEU C 48 3.419 13.572 -25.419 1.00 0.00 H ATOM 643 HG LEU C 48 3.592 11.280 -23.412 1.00 0.00 H ATOM 644 HD21 LEU C 48 5.746 12.632 -25.099 1.00 0.00 H ATOM 645 HD22 LEU C 48 5.576 12.762 -23.331 1.00 0.00 H ATOM 646 HD23 LEU C 48 5.978 11.194 -24.074 1.00 0.00 H ATOM 647 HD11 LEU C 48 2.632 10.657 -25.610 1.00 0.00 H ATOM 648 HD12 LEU C 48 4.026 11.403 -26.430 1.00 0.00 H ATOM 649 HD13 LEU C 48 4.261 9.966 -25.404 1.00 0.00 H ATOM 650 H LEU C 48 2.891 12.387 -21.939 1.00 0.00 H ATOM 651 N THR C 49 2.067 15.558 -22.019 1.00 1.40 N ATOM 652 CA THR C 49 1.004 16.587 -21.846 1.00 1.84 C ATOM 653 C THR C 49 1.653 17.946 -21.582 1.00 1.91 C ATOM 654 O THR C 49 1.619 18.833 -22.411 1.00 2.09 O ATOM 655 CB THR C 49 0.114 16.206 -20.661 1.00 2.27 C ATOM 656 OG1 THR C 49 -0.195 14.821 -20.729 1.00 2.37 O ATOM 657 CG2 THR C 49 -1.178 17.022 -20.708 1.00 2.76 C ATOM 658 HA THR C 49 0.398 16.642 -22.750 1.00 0.00 H ATOM 659 HB THR C 49 0.639 16.416 -19.729 1.00 0.00 H ATOM 660 HG1 THR C 49 -0.771 14.575 -19.962 1.00 0.00 H ATOM 661 HG23 THR C 49 -0.938 18.084 -20.656 1.00 0.00 H ATOM 662 HG21 THR C 49 -1.705 16.813 -21.639 1.00 0.00 H ATOM 663 HG22 THR C 49 -1.810 16.749 -19.863 1.00 0.00 H ATOM 664 H THR C 49 2.606 15.224 -21.195 1.00 0.00 H ATOM 665 N THR C 50 2.244 18.117 -20.431 1.00 2.11 N ATOM 666 CA THR C 50 2.895 19.419 -20.114 1.00 2.32 C ATOM 667 C THR C 50 4.355 19.380 -20.570 1.00 1.78 C ATOM 668 O THR C 50 4.894 20.360 -21.043 1.00 1.96 O ATOM 669 CB THR C 50 2.838 19.663 -18.604 1.00 2.94 C ATOM 670 OG1 THR C 50 2.866 18.416 -17.923 1.00 3.50 O ATOM 671 CG2 THR C 50 1.550 20.409 -18.254 1.00 3.48 C ATOM 672 HA THR C 50 2.373 20.224 -20.631 1.00 0.00 H ATOM 673 HB THR C 50 3.696 20.263 -18.300 1.00 0.00 H ATOM 674 HG1 THR C 50 2.829 18.574 -16.946 1.00 0.00 H ATOM 675 HG23 THR C 50 1.531 21.365 -18.778 1.00 0.00 H ATOM 676 HG21 THR C 50 0.691 19.810 -18.557 1.00 0.00 H ATOM 677 HG22 THR C 50 1.513 20.582 -17.178 1.00 0.00 H ATOM 678 H THR C 50 2.260 17.344 -19.735 1.00 0.00 H ATOM 679 N GLY C 51 4.998 18.253 -20.430 1.00 1.32 N ATOM 680 CA GLY C 51 6.422 18.151 -20.855 1.00 1.04 C ATOM 681 C GLY C 51 7.322 18.109 -19.618 1.00 0.83 C ATOM 682 O GLY C 51 8.269 18.861 -19.503 1.00 0.99 O ATOM 683 HA3 GLY C 51 6.682 19.016 -21.465 1.00 0.00 H ATOM 684 HA2 GLY C 51 6.563 17.241 -21.438 1.00 0.00 H ATOM 685 H GLY C 51 4.516 17.426 -20.022 1.00 0.00 H ATOM 686 N GLN C 52 7.035 17.235 -18.692 1.00 0.72 N ATOM 687 CA GLN C 52 7.876 17.149 -17.466 1.00 0.72 C ATOM 688 C GLN C 52 8.351 15.707 -17.268 1.00 0.65 C ATOM 689 O GLN C 52 8.002 14.819 -18.021 1.00 0.94 O ATOM 690 CB GLN C 52 7.052 17.589 -16.254 1.00 0.87 C ATOM 691 CG GLN C 52 6.711 19.075 -16.384 1.00 1.02 C ATOM 692 CD GLN C 52 6.453 19.665 -14.996 1.00 1.53 C ATOM 693 OE1 GLN C 52 7.196 19.413 -14.068 1.00 2.02 O ATOM 694 NE2 GLN C 52 5.423 20.445 -14.814 1.00 2.36 N ATOM 695 HA GLN C 52 8.743 17.801 -17.573 1.00 0.00 H ATOM 696 HB2 GLN C 52 6.132 17.007 -16.209 1.00 0.00 H ATOM 697 HB3 GLN C 52 7.628 17.426 -15.343 1.00 0.00 H ATOM 698 HG2 GLN C 52 7.544 19.599 -16.852 1.00 0.00 H ATOM 699 HG3 GLN C 52 5.819 19.190 -16.999 1.00 0.00 H ATOM 700 HE22 GLN C 52 4.787 20.661 -15.608 1.00 0.00 H ATOM 701 HE21 GLN C 52 5.238 20.851 -13.875 1.00 0.00 H ATOM 702 H GLN C 52 6.220 16.600 -18.810 1.00 0.00 H ATOM 703 N THR C 53 9.144 15.468 -16.259 1.00 0.60 N ATOM 704 CA THR C 53 9.644 14.086 -16.010 1.00 0.60 C ATOM 705 C THR C 53 9.069 13.570 -14.688 1.00 0.70 C ATOM 706 O THR C 53 8.687 14.335 -13.825 1.00 1.06 O ATOM 707 CB THR C 53 11.176 14.105 -15.939 1.00 0.97 C ATOM 708 OG1 THR C 53 11.703 14.160 -17.257 1.00 1.48 O ATOM 709 CG2 THR C 53 11.688 12.842 -15.239 1.00 0.80 C ATOM 710 HA THR C 53 9.330 13.428 -16.821 1.00 0.00 H ATOM 711 HB THR C 53 11.498 14.979 -15.373 1.00 0.00 H ATOM 712 HG1 THR C 53 12.692 14.172 -17.215 1.00 0.00 H ATOM 713 HG23 THR C 53 11.284 12.799 -14.228 1.00 0.00 H ATOM 714 HG21 THR C 53 11.366 11.963 -15.797 1.00 0.00 H ATOM 715 HG22 THR C 53 12.777 12.868 -15.196 1.00 0.00 H ATOM 716 H THR C 53 9.428 16.244 -15.627 1.00 0.00 H ATOM 717 N GLY C 54 9.014 12.277 -14.521 1.00 0.60 N ATOM 718 CA GLY C 54 8.465 11.714 -13.257 1.00 0.91 C ATOM 719 C GLY C 54 8.789 10.221 -13.180 1.00 0.68 C ATOM 720 O GLY C 54 8.362 9.439 -14.007 1.00 0.62 O ATOM 721 HA3 GLY C 54 7.384 11.853 -13.236 1.00 0.00 H ATOM 722 HA2 GLY C 54 8.912 12.227 -12.406 1.00 0.00 H ATOM 723 H GLY C 54 9.353 11.640 -15.270 1.00 0.00 H ATOM 724 N TYR C 55 9.547 9.819 -12.196 1.00 0.66 N ATOM 725 CA TYR C 55 9.897 8.382 -12.065 1.00 0.54 C ATOM 726 C TYR C 55 8.634 7.583 -11.736 1.00 0.48 C ATOM 727 O TYR C 55 8.060 7.722 -10.674 1.00 0.75 O ATOM 728 CB TYR C 55 10.915 8.217 -10.936 1.00 0.72 C ATOM 729 CG TYR C 55 12.059 9.223 -11.108 1.00 0.75 C ATOM 730 CD1 TYR C 55 12.243 9.888 -12.306 1.00 1.38 C ATOM 731 CD2 TYR C 55 12.925 9.479 -10.064 1.00 1.53 C ATOM 732 CE1 TYR C 55 13.275 10.793 -12.453 1.00 1.59 C ATOM 733 CE2 TYR C 55 13.956 10.383 -10.213 1.00 1.74 C ATOM 734 CZ TYR C 55 14.139 11.047 -11.408 1.00 1.38 C ATOM 735 OH TYR C 55 15.171 11.951 -11.556 1.00 1.78 O ATOM 736 HA TYR C 55 10.324 8.017 -12.999 1.00 0.00 H ATOM 737 HB3 TYR C 55 11.318 7.205 -10.959 1.00 0.00 H ATOM 738 HB2 TYR C 55 10.423 8.390 -9.979 1.00 0.00 H ATOM 739 HD2 TYR C 55 12.793 8.962 -9.113 1.00 0.00 H ATOM 740 HE2 TYR C 55 14.632 10.574 -9.379 1.00 0.00 H ATOM 741 HE1 TYR C 55 13.408 11.311 -13.403 1.00 0.00 H ATOM 742 HD1 TYR C 55 11.568 9.696 -13.140 1.00 0.00 H ATOM 743 HH TYR C 55 15.149 12.328 -12.471 1.00 0.00 H ATOM 744 H TYR C 55 9.906 10.506 -11.503 1.00 0.00 H ATOM 745 N ILE C 56 8.195 6.747 -12.637 1.00 0.42 N ATOM 746 CA ILE C 56 6.969 5.943 -12.370 1.00 0.38 C ATOM 747 C ILE C 56 7.370 4.509 -11.998 1.00 0.33 C ATOM 748 O ILE C 56 8.245 3.937 -12.617 1.00 0.35 O ATOM 749 CB ILE C 56 6.100 5.918 -13.628 1.00 0.44 C ATOM 750 CG1 ILE C 56 6.920 5.373 -14.799 1.00 0.53 C ATOM 751 CG2 ILE C 56 5.634 7.339 -13.953 1.00 0.51 C ATOM 752 CD1 ILE C 56 6.336 4.034 -15.254 1.00 0.90 C ATOM 753 HA ILE C 56 6.410 6.389 -11.547 1.00 0.00 H ATOM 754 HB ILE C 56 5.233 5.280 -13.460 1.00 0.00 H ATOM 755 HG12 ILE C 56 6.889 6.083 -15.626 1.00 0.00 H ATOM 756 HG13 ILE C 56 7.953 5.230 -14.483 1.00 0.00 H ATOM 757 HD11 ILE C 56 6.369 3.325 -14.427 1.00 0.00 H ATOM 758 HD12 ILE C 56 5.303 4.178 -15.570 1.00 0.00 H ATOM 759 HD13 ILE C 56 6.922 3.648 -16.088 1.00 0.00 H ATOM 760 HG21 ILE C 56 5.054 7.730 -13.117 1.00 0.00 H ATOM 761 HG22 ILE C 56 6.503 7.975 -14.123 1.00 0.00 H ATOM 762 HG23 ILE C 56 5.015 7.321 -14.850 1.00 0.00 H ATOM 763 H ILE C 56 8.700 6.642 -13.540 1.00 0.00 H ATOM 764 N PRO C 57 6.719 3.969 -10.996 1.00 0.33 N ATOM 765 CA PRO C 57 7.000 2.599 -10.531 1.00 0.36 C ATOM 766 C PRO C 57 6.627 1.586 -11.621 1.00 0.38 C ATOM 767 O PRO C 57 5.745 1.820 -12.424 1.00 0.53 O ATOM 768 CB PRO C 57 6.116 2.417 -9.288 1.00 0.41 C ATOM 769 CG PRO C 57 5.249 3.695 -9.137 1.00 0.42 C ATOM 770 CD PRO C 57 5.667 4.677 -10.243 1.00 0.37 C ATOM 771 HA PRO C 57 8.054 2.441 -10.304 1.00 0.00 H ATOM 772 HD3 PRO C 57 4.821 4.910 -10.890 1.00 0.00 H ATOM 773 HD2 PRO C 57 6.057 5.599 -9.811 1.00 0.00 H ATOM 774 HG3 PRO C 57 5.417 4.144 -8.158 1.00 0.00 H ATOM 775 HG2 PRO C 57 4.194 3.443 -9.243 1.00 0.00 H ATOM 776 HB2 PRO C 57 5.474 1.545 -9.413 1.00 0.00 H ATOM 777 HB3 PRO C 57 6.740 2.284 -8.404 1.00 0.00 H ATOM 778 N SER C 58 7.291 0.463 -11.655 1.00 0.44 N ATOM 779 CA SER C 58 6.981 -0.562 -12.689 1.00 0.48 C ATOM 780 C SER C 58 5.747 -1.366 -12.279 1.00 0.41 C ATOM 781 O SER C 58 4.995 -1.832 -13.111 1.00 0.38 O ATOM 782 CB SER C 58 8.173 -1.506 -12.831 1.00 0.62 C ATOM 783 OG SER C 58 8.019 -2.604 -11.944 1.00 0.87 O ATOM 784 HA SER C 58 6.783 -0.065 -13.639 1.00 0.00 H ATOM 785 HB2 SER C 58 9.091 -0.970 -12.590 1.00 0.00 H ATOM 786 HB3 SER C 58 8.226 -1.872 -13.856 1.00 0.00 H ATOM 787 HG SER C 58 8.793 -3.214 -12.038 1.00 0.00 H ATOM 788 H SER C 58 8.040 0.283 -10.956 1.00 0.00 H ATOM 789 N ASN C 59 5.533 -1.539 -11.004 1.00 0.44 N ATOM 790 CA ASN C 59 4.346 -2.314 -10.550 1.00 0.46 C ATOM 791 C ASN C 59 3.071 -1.552 -10.914 1.00 0.39 C ATOM 792 O ASN C 59 1.993 -2.111 -10.955 1.00 0.43 O ATOM 793 CB ASN C 59 4.410 -2.505 -9.033 1.00 0.60 C ATOM 794 CG ASN C 59 5.459 -3.566 -8.696 1.00 1.57 C ATOM 795 OD1 ASN C 59 6.546 -3.555 -9.238 1.00 2.35 O ATOM 796 ND2 ASN C 59 5.178 -4.490 -7.818 1.00 2.40 N ATOM 797 HA ASN C 59 4.340 -3.288 -11.039 1.00 0.00 H ATOM 798 HB2 ASN C 59 4.682 -1.562 -8.559 1.00 0.00 H ATOM 799 HB3 ASN C 59 3.436 -2.827 -8.666 1.00 0.00 H ATOM 800 HD22 ASN C 59 4.248 -4.500 -7.353 1.00 0.00 H ATOM 801 HD21 ASN C 59 5.885 -5.216 -7.583 1.00 0.00 H ATOM 802 H ASN C 59 6.190 -1.136 -10.306 1.00 0.00 H ATOM 803 N TYR C 60 3.183 -0.279 -11.181 1.00 0.37 N ATOM 804 CA TYR C 60 1.975 0.517 -11.541 1.00 0.35 C ATOM 805 C TYR C 60 1.960 0.774 -13.050 1.00 0.32 C ATOM 806 O TYR C 60 1.265 1.648 -13.529 1.00 0.40 O ATOM 807 CB TYR C 60 2.011 1.862 -10.805 1.00 0.40 C ATOM 808 CG TYR C 60 1.557 1.688 -9.351 1.00 0.42 C ATOM 809 CD1 TYR C 60 1.524 0.439 -8.763 1.00 1.15 C ATOM 810 CD2 TYR C 60 1.161 2.783 -8.610 1.00 0.96 C ATOM 811 CE1 TYR C 60 1.103 0.289 -7.457 1.00 1.19 C ATOM 812 CE2 TYR C 60 0.740 2.633 -7.304 1.00 1.00 C ATOM 813 CZ TYR C 60 0.707 1.385 -6.718 1.00 0.57 C ATOM 814 OH TYR C 60 0.287 1.234 -5.412 1.00 0.68 O ATOM 815 HA TYR C 60 1.081 -0.037 -11.254 1.00 0.00 H ATOM 816 HB3 TYR C 60 1.346 2.565 -11.307 1.00 0.00 H ATOM 817 HB2 TYR C 60 3.029 2.253 -10.820 1.00 0.00 H ATOM 818 HD2 TYR C 60 1.181 3.775 -9.060 1.00 0.00 H ATOM 819 HE2 TYR C 60 0.431 3.508 -6.731 1.00 0.00 H ATOM 820 HE1 TYR C 60 1.083 -0.703 -7.006 1.00 0.00 H ATOM 821 HD1 TYR C 60 1.833 -0.436 -9.335 1.00 0.00 H ATOM 822 HH TYR C 60 0.329 0.277 -5.162 1.00 0.00 H ATOM 823 H TYR C 60 4.115 0.180 -11.143 1.00 0.00 H ATOM 824 N VAL C 61 2.717 0.021 -13.803 1.00 0.31 N ATOM 825 CA VAL C 61 2.739 0.232 -15.279 1.00 0.30 C ATOM 826 C VAL C 61 3.156 -1.053 -15.983 1.00 0.32 C ATOM 827 O VAL C 61 3.615 -1.997 -15.371 1.00 0.52 O ATOM 828 CB VAL C 61 3.744 1.327 -15.624 1.00 0.31 C ATOM 829 CG1 VAL C 61 5.149 0.874 -15.220 1.00 0.58 C ATOM 830 CG2 VAL C 61 3.720 1.612 -17.123 1.00 0.61 C ATOM 831 HA VAL C 61 1.741 0.523 -15.607 1.00 0.00 H ATOM 832 HB VAL C 61 3.477 2.235 -15.084 1.00 0.00 H ATOM 833 HG11 VAL C 61 5.173 0.682 -14.147 1.00 0.00 H ATOM 834 HG12 VAL C 61 5.404 -0.038 -15.759 1.00 0.00 H ATOM 835 HG13 VAL C 61 5.867 1.657 -15.467 1.00 0.00 H ATOM 836 HG21 VAL C 61 3.979 0.705 -17.668 1.00 0.00 H ATOM 837 HG22 VAL C 61 2.722 1.939 -17.413 1.00 0.00 H ATOM 838 HG23 VAL C 61 4.442 2.395 -17.354 1.00 0.00 H ATOM 839 H VAL C 61 3.303 -0.724 -13.374 1.00 0.00 H ATOM 840 N ALA C 62 3.006 -1.082 -17.271 1.00 0.30 N ATOM 841 CA ALA C 62 3.387 -2.294 -18.046 1.00 0.33 C ATOM 842 C ALA C 62 3.291 -1.991 -19.544 1.00 0.36 C ATOM 843 O ALA C 62 2.576 -1.093 -19.947 1.00 0.43 O ATOM 844 CB ALA C 62 2.440 -3.445 -17.697 1.00 0.43 C ATOM 845 HA ALA C 62 4.409 -2.578 -17.796 1.00 0.00 H ATOM 846 HB1 ALA C 62 2.509 -3.660 -16.631 1.00 0.00 H ATOM 847 HB2 ALA C 62 1.418 -3.161 -17.947 1.00 0.00 H ATOM 848 HB3 ALA C 62 2.722 -4.331 -18.266 1.00 0.00 H ATOM 849 H ALA C 62 2.617 -0.253 -17.765 1.00 0.00 H ATOM 850 N PRO C 63 4.022 -2.750 -20.322 1.00 0.44 N ATOM 851 CA PRO C 63 4.041 -2.586 -21.786 1.00 0.53 C ATOM 852 C PRO C 63 2.647 -2.852 -22.362 1.00 0.61 C ATOM 853 O PRO C 63 2.066 -3.897 -22.147 1.00 0.83 O ATOM 854 CB PRO C 63 5.041 -3.637 -22.288 1.00 0.65 C ATOM 855 CG PRO C 63 5.568 -4.414 -21.053 1.00 0.69 C ATOM 856 CD PRO C 63 4.890 -3.826 -19.806 1.00 0.54 C ATOM 857 HA PRO C 63 4.324 -1.578 -22.088 1.00 0.00 H ATOM 858 HD3 PRO C 63 4.298 -4.586 -19.296 1.00 0.00 H ATOM 859 HD2 PRO C 63 5.633 -3.424 -19.118 1.00 0.00 H ATOM 860 HG3 PRO C 63 6.649 -4.300 -20.976 1.00 0.00 H ATOM 861 HG2 PRO C 63 5.321 -5.472 -21.146 1.00 0.00 H ATOM 862 HB2 PRO C 63 4.546 -4.323 -22.975 1.00 0.00 H ATOM 863 HB3 PRO C 63 5.869 -3.147 -22.800 1.00 0.00 H ATOM 864 N SER C 64 2.108 -1.916 -23.092 1.00 0.84 N ATOM 865 CA SER C 64 0.754 -2.118 -23.680 1.00 0.99 C ATOM 866 C SER C 64 0.596 -1.231 -24.916 1.00 1.87 C ATOM 867 O SER C 64 0.064 -0.143 -24.775 1.00 2.68 O ATOM 868 CB SER C 64 -0.312 -1.749 -22.646 1.00 1.42 C ATOM 869 OG SER C 64 -1.590 -2.145 -23.121 1.00 2.11 O ATOM 870 HA SER C 64 0.635 -3.163 -23.966 1.00 0.00 H ATOM 871 OXT SER C 64 1.010 -1.656 -25.982 1.00 2.33 O ATOM 872 HB2 SER C 64 -0.303 -0.671 -22.483 1.00 0.00 H ATOM 873 HB3 SER C 64 -0.099 -2.259 -21.707 1.00 0.00 H ATOM 874 HG SER C 64 -1.782 -1.681 -23.974 1.00 0.00 H ATOM 875 H SER C 64 2.623 -1.029 -23.264 1.00 0.00 H TER 876 SER C 64 HETATM 877 N ARG A 1 14.126 2.182 -1.555 1.00 0.24 N HETATM 878 CA ARG A 1 12.943 2.689 -2.306 1.00 0.07 C HETATM 879 C ARG A 1 11.852 1.616 -2.322 1.00 0.23 C HETATM 880 O ARG A 1 11.446 1.147 -3.366 1.00 -0.39 O HETATM 881 N ARG A 1 11.373 1.226 -1.172 1.00 -0.26 N HETATM 882 CA ARG A 1 10.309 0.184 -1.122 1.00 0.13 C HETATM 883 C ARG A 1 9.204 0.535 -2.120 1.00 0.20 C HETATM 884 O ARG A 1 8.614 1.595 -2.059 1.00 -0.39 O HETATM 885 N ARG A 1 8.922 -0.345 -3.042 1.00 -0.26 N HETATM 886 CA ARG A 1 7.856 -0.059 -4.042 1.00 0.13 C HETATM 887 C ARG A 1 6.557 0.299 -3.313 1.00 0.21 C HETATM 888 O ARG A 1 6.374 -0.057 -2.166 1.00 -0.39 O HETATM 889 N ARG A 1 5.692 0.994 -4.006 1.00 -0.25 N HETATM 890 CA ARG A 1 4.397 1.417 -3.447 1.00 0.13 C HETATM 891 C ARG A 1 3.505 0.193 -3.193 1.00 0.21 C HETATM 892 O ARG A 1 3.381 -0.661 -4.048 1.00 -0.39 O HETATM 893 N ARG A 1 2.909 0.141 -2.026 1.00 -0.25 N HETATM 894 CA ARG A 1 2.027 -0.977 -1.655 1.00 0.13 C HETATM 895 C ARG A 1 0.840 -1.039 -2.619 1.00 0.20 C HETATM 896 O ARG A 1 -0.058 -0.223 -2.562 1.00 -0.39 O HETATM 897 N ARG A 1 0.833 -1.994 -3.509 1.00 -0.26 N HETATM 898 CA ARG A 1 -0.296 -2.103 -4.476 1.00 0.13 C HETATM 899 C ARG A 1 -1.623 -1.870 -3.748 1.00 0.21 C HETATM 900 O ARG A 1 -1.720 -2.086 -2.556 1.00 -0.39 O HETATM 901 N ARG A 1 -2.609 -1.437 -4.492 1.00 -0.25 N HETATM 902 CA ARG A 1 -3.946 -1.166 -3.940 1.00 0.13 C HETATM 903 C ARG A 1 -4.510 -2.422 -3.271 1.00 0.20 C HETATM 904 O ARG A 1 -5.080 -3.270 -3.924 1.00 -0.39 O HETATM 905 N ARG A 1 -4.335 -2.518 -1.971 1.00 -0.26 N HETATM 906 CA ARG A 1 -4.828 -3.689 -1.166 1.00 0.13 C HETATM 907 C ARG A 1 -5.429 -4.789 -2.045 1.00 0.20 C HETATM 908 O ARG A 1 -4.838 -5.831 -2.228 1.00 -0.39 O HETATM 909 N ARG A 1 -6.601 -4.563 -2.578 1.00 -0.27 N HETATM 910 CA ARG A 1 -7.257 -5.589 -3.448 1.00 0.10 C HETATM 911 C ARG A 1 -7.901 -6.658 -2.557 1.00 0.06 C HETATM 912 O ARG A 1 -8.795 -7.338 -3.033 1.00 -0.57 O HETATM 913 OXT ARG A 1 -7.488 -6.776 -1.415 1.00 -0.57 O HETATM 914 CB ARG A 1 -6.215 -6.204 -4.419 1.00 0.01 C HETATM 915 CG ARG A 1 -6.141 -7.741 -4.300 1.00 -0.05 C HETATM 916 CD1 ARG A 1 -5.763 -8.352 -3.117 1.00 -0.07 C HETATM 917 CE1 ARG A 1 -5.682 -9.728 -3.031 1.00 -0.04 C HETATM 918 CZ ARG A 1 -5.978 -10.517 -4.123 1.00 0.08 C HETATM 919 CE2 ARG A 1 -6.357 -9.911 -5.302 1.00 -0.04 C HETATM 920 CD2 ARG A 1 -6.438 -8.535 -5.390 1.00 -0.07 C HETATM 921 H82 ARG A 1 -6.738 -8.074 -6.324 1.00 0.05 H HETATM 922 H84 ARG A 1 -6.593 -10.520 -6.167 1.00 0.05 H HETATM 923 OH ARG A 1 -5.894 -11.892 -4.039 1.00 -0.34 O HETATM 924 H85 ARG A 1 -5.621 -12.139 -3.163 1.00 0.25 H HETATM 925 H83 ARG A 1 -5.383 -10.192 -2.098 1.00 0.05 H HETATM 926 H81 ARG A 1 -5.528 -7.745 -2.250 1.00 0.05 H HETATM 927 H79 ARG A 1 -5.225 -5.783 -4.189 1.00 0.04 H HETATM 928 H80 ARG A 1 -6.494 -5.942 -5.450 1.00 0.04 H HETATM 929 H78 ARG A 1 -8.045 -5.104 -4.043 1.00 0.07 H HETATM 930 H77 ARG A 1 -7.065 -3.695 -2.402 1.00 0.19 H HETATM 931 CB ARG A 1 -5.885 -3.200 -0.174 1.00 -0.01 C HETATM 932 CG ARG A 1 -5.828 -4.055 1.096 1.00 -0.02 C HETATM 933 CD ARG A 1 -6.973 -3.664 2.037 1.00 0.06 C HETATM 934 NE ARG A 1 -8.125 -3.149 1.244 1.00 -0.27 N HETATM 935 CZ ARG A 1 -8.811 -3.959 0.484 1.00 0.29 C HETATM 936 NH1 ARG A 1 -8.498 -5.226 0.425 1.00 -0.28 N HETATM 937 H73 ARG A 1 -9.041 -5.863 -0.175 1.00 0.26 H HETATM 938 H74 ARG A 1 -7.708 -5.588 0.979 1.00 0.26 H HETATM 939 NH2 ARG A 1 -9.813 -3.501 -0.214 1.00 -0.28 N HETATM 940 H75 ARG A 1 -10.059 -2.502 -0.167 1.00 0.26 H HETATM 941 H76 ARG A 1 -10.358 -4.138 -0.812 1.00 0.26 H HETATM 942 H72 ARG A 1 -8.380 -2.152 1.296 1.00 0.26 H HETATM 943 H70 ARG A 1 -6.627 -2.881 2.728 1.00 0.07 H HETATM 944 H71 ARG A 1 -7.291 -4.546 2.612 1.00 0.07 H HETATM 945 H68 ARG A 1 -4.866 -3.891 1.604 1.00 0.03 H HETATM 946 H69 ARG A 1 -5.924 -5.117 0.826 1.00 0.03 H HETATM 947 H66 ARG A 1 -6.883 -3.286 -0.629 1.00 0.03 H HETATM 948 H67 ARG A 1 -5.688 -2.149 0.083 1.00 0.03 H HETATM 949 H65 ARG A 1 -3.979 -4.113 -0.609 1.00 0.08 H HETATM 950 H64 ARG A 1 -3.853 -1.781 -1.497 1.00 0.19 H HETATM 951 CB ARG A 1 -4.799 -0.761 -5.149 1.00 -0.01 C HETATM 952 CG ARG A 1 -3.872 -0.743 -6.392 1.00 -0.03 C HETATM 953 CD ARG A 1 -2.472 -1.191 -5.939 1.00 0.04 C HETATM 954 H62 ARG A 1 -2.171 -2.111 -6.462 1.00 0.05 H HETATM 955 H63 ARG A 1 -1.731 -0.401 -6.130 1.00 0.05 H HETATM 956 H60 ARG A 1 -3.823 0.274 -6.808 1.00 0.03 H HETATM 957 H61 ARG A 1 -4.257 -1.434 -7.156 1.00 0.03 H HETATM 958 H58 ARG A 1 -5.229 0.239 -4.987 1.00 0.03 H HETATM 959 H59 ARG A 1 -5.610 -1.489 -5.297 1.00 0.03 H HETATM 960 H57 ARG A 1 -3.904 -0.347 -3.206 1.00 0.08 H HETATM 961 CB ARG A 1 -0.298 -3.496 -5.103 1.00 -0.01 C HETATM 962 CG ARG A 1 0.737 -3.550 -6.227 1.00 -0.04 C HETATM 963 CD1 ARG A 1 1.181 -4.999 -6.435 1.00 -0.06 C HETATM 964 H51 ARG A 1 1.926 -5.042 -7.243 1.00 0.02 H HETATM 965 H52 ARG A 1 0.310 -5.614 -6.706 1.00 0.02 H HETATM 966 H53 ARG A 1 1.626 -5.383 -5.505 1.00 0.02 H HETATM 967 CD2 ARG A 1 0.115 -3.014 -7.518 1.00 -0.06 C HETATM 968 H54 ARG A 1 -0.204 -1.972 -7.366 1.00 0.02 H HETATM 969 H55 ARG A 1 -0.757 -3.628 -7.788 1.00 0.02 H HETATM 970 H56 ARG A 1 0.858 -3.056 -8.328 1.00 0.02 H HETATM 971 H50 ARG A 1 1.607 -2.934 -5.956 1.00 0.03 H HETATM 972 H48 ARG A 1 -1.296 -3.712 -5.513 1.00 0.03 H HETATM 973 H49 ARG A 1 -0.046 -4.244 -4.336 1.00 0.03 H HETATM 974 H47 ARG A 1 -0.175 -1.347 -5.265 1.00 0.08 H HETATM 975 H46 ARG A 1 1.585 -2.652 -3.542 1.00 0.19 H HETATM 976 CB ARG A 1 1.553 -0.652 -0.231 1.00 -0.01 C HETATM 977 CG ARG A 1 2.204 0.693 0.185 1.00 -0.03 C HETATM 978 CD ARG A 1 3.062 1.182 -0.993 1.00 0.04 C HETATM 979 H44 ARG A 1 2.697 2.152 -1.363 1.00 0.05 H HETATM 980 H45 ARG A 1 4.116 1.278 -0.692 1.00 0.05 H HETATM 981 H42 ARG A 1 2.837 0.544 1.073 1.00 0.03 H HETATM 982 H43 ARG A 1 1.422 1.433 0.412 1.00 0.03 H HETATM 983 H40 ARG A 1 1.866 -1.449 0.459 1.00 0.03 H HETATM 984 H41 ARG A 1 0.457 -0.560 -0.212 1.00 0.03 H HETATM 985 H39 ARG A 1 2.573 -1.932 -1.675 1.00 0.08 H HETATM 986 CB ARG A 1 3.779 2.309 -4.526 1.00 -0.01 C HETATM 987 CG ARG A 1 4.708 2.261 -5.768 1.00 -0.03 C HETATM 988 CD ARG A 1 5.937 1.417 -5.397 1.00 0.04 C HETATM 989 H37 ARG A 1 6.022 0.543 -6.059 1.00 0.05 H HETATM 990 H38 ARG A 1 6.856 2.018 -5.464 1.00 0.05 H HETATM 991 H35 ARG A 1 5.021 3.279 -6.042 1.00 0.03 H HETATM 992 H36 ARG A 1 4.178 1.800 -6.615 1.00 0.03 H HETATM 993 H33 ARG A 1 3.700 3.342 -4.157 1.00 0.03 H HETATM 994 H34 ARG A 1 2.779 1.937 -4.792 1.00 0.03 H HETATM 995 H32 ARG A 1 4.538 1.976 -2.510 1.00 0.08 H HETATM 996 CB ARG A 1 7.629 -1.295 -4.914 1.00 -0.01 C HETATM 997 CG ARG A 1 8.781 -1.432 -5.912 1.00 -0.04 C HETATM 998 CD1 ARG A 1 8.675 -2.779 -6.630 1.00 -0.06 C HETATM 999 H26 ARG A 1 9.503 -2.878 -7.348 1.00 0.02 H HETATM 1000 H27 ARG A 1 7.716 -2.834 -7.166 1.00 0.02 H HETATM 1001 H28 ARG A 1 8.730 -3.593 -5.892 1.00 0.02 H HETATM 1002 CD2 ARG A 1 8.704 -0.299 -6.936 1.00 -0.06 C HETATM 1003 H29 ARG A 1 8.780 0.669 -6.418 1.00 0.02 H HETATM 1004 H30 ARG A 1 7.745 -0.354 -7.472 1.00 0.02 H HETATM 1005 H31 ARG A 1 9.531 -0.397 -7.654 1.00 0.02 H HETATM 1006 H25 ARG A 1 9.740 -1.377 -5.376 1.00 0.03 H HETATM 1007 H23 ARG A 1 6.681 -1.189 -5.461 1.00 0.03 H HETATM 1008 H24 ARG A 1 7.587 -2.191 -4.277 1.00 0.03 H HETATM 1009 H22 ARG A 1 8.165 0.785 -4.676 1.00 0.08 H HETATM 1010 H21 ARG A 1 9.421 -1.211 -3.077 1.00 0.19 H HETATM 1011 CB ARG A 1 9.721 0.121 0.290 1.00 -0.02 C HETATM 1012 H18 ARG A 1 8.936 -0.648 0.326 1.00 0.03 H HETATM 1013 H19 ARG A 1 9.289 1.098 0.551 1.00 0.03 H HETATM 1014 H20 ARG A 1 10.516 -0.132 1.007 1.00 0.03 H HETATM 1015 H17 ARG A 1 10.741 -0.793 -1.383 1.00 0.08 H HETATM 1016 H16 ARG A 1 11.720 1.627 -0.324 1.00 0.19 H HETATM 1017 CB ARG A 1 13.354 3.020 -3.742 1.00 0.01 C HETATM 1018 CG ARG A 1 12.169 3.646 -4.482 1.00 -0.01 C HETATM 1019 CD ARG A 1 12.133 5.151 -4.204 1.00 0.06 C HETATM 1020 NE ARG A 1 11.581 5.863 -5.391 1.00 -0.27 N HETATM 1021 CZ ARG A 1 11.752 7.151 -5.523 1.00 0.29 C HETATM 1022 NH1 ARG A 1 12.412 7.822 -4.616 1.00 -0.28 N HETATM 1023 H12 ARG A 1 12.546 8.838 -4.722 1.00 0.26 H HETATM 1024 H13 ARG A 1 12.799 7.335 -3.795 1.00 0.26 H HETATM 1025 NH2 ARG A 1 11.264 7.770 -6.564 1.00 -0.28 N HETATM 1026 H14 ARG A 1 10.744 7.243 -7.280 1.00 0.26 H HETATM 1027 H15 ARG A 1 11.399 8.786 -6.670 1.00 0.26 H HETATM 1028 H11 ARG A 1 11.063 5.338 -6.110 1.00 0.26 H HETATM 1029 H9 ARG A 1 13.153 5.511 -4.002 1.00 0.07 H HETATM 1030 H10 ARG A 1 11.495 5.347 -3.330 1.00 0.07 H HETATM 1031 H7 ARG A 1 11.233 3.186 -4.132 1.00 0.03 H HETATM 1032 H8 ARG A 1 12.280 3.475 -5.563 1.00 0.03 H HETATM 1033 H5 ARG A 1 13.662 2.098 -4.257 1.00 0.03 H HETATM 1034 H6 ARG A 1 14.194 3.730 -3.728 1.00 0.03 H HETATM 1035 H4 ARG A 1 12.559 3.596 -1.816 1.00 0.11 H HETATM 1036 H1 ARG A 1 14.845 2.888 -1.544 1.00 0.20 H HETATM 1037 H2 ARG A 1 14.478 1.351 -2.004 1.00 0.20 H HETATM 1038 H3 ARG A 1 13.855 1.964 -0.609 1.00 0.20 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 877 878 1036 1037 1038 CONECT 878 877 879 1017 1035 CONECT 879 878 880 881 CONECT 880 879 CONECT 881 879 882 1016 CONECT 882 881 883 1011 1015 CONECT 883 882 884 885 CONECT 884 883 CONECT 885 883 886 1010 CONECT 886 885 887 996 1009 CONECT 887 886 888 889 CONECT 888 887 CONECT 889 887 890 988 CONECT 890 889 891 986 995 CONECT 891 890 892 893 CONECT 892 891 CONECT 893 891 894 978 CONECT 894 893 895 976 985 CONECT 895 894 896 897 CONECT 896 895 CONECT 897 895 898 975 CONECT 898 897 899 961 974 CONECT 899 898 900 901 CONECT 900 899 CONECT 901 899 902 953 CONECT 902 901 903 951 960 CONECT 903 902 904 905 CONECT 904 903 CONECT 905 903 906 950 CONECT 906 905 907 931 949 CONECT 907 906 908 909 CONECT 908 907 CONECT 909 907 910 930 CONECT 910 909 911 914 929 CONECT 911 910 912 913 CONECT 912 911 CONECT 913 911 CONECT 914 910 915 927 928 CONECT 915 914 916 920 CONECT 916 915 917 926 CONECT 917 916 918 925 CONECT 918 917 919 923 CONECT 919 918 920 922 CONECT 920 915 919 921 CONECT 921 920 CONECT 922 919 CONECT 923 918 924 CONECT 924 923 CONECT 925 917 CONECT 926 916 CONECT 927 914 CONECT 928 914 CONECT 929 910 CONECT 930 909 CONECT 931 906 932 947 948 CONECT 932 931 933 945 946 CONECT 933 932 934 943 944 CONECT 934 933 935 942 CONECT 935 934 936 939 CONECT 936 935 937 938 CONECT 937 936 CONECT 938 936 CONECT 939 935 940 941 CONECT 940 939 CONECT 941 939 CONECT 942 934 CONECT 943 933 CONECT 944 933 CONECT 945 932 CONECT 946 932 CONECT 947 931 CONECT 948 931 CONECT 949 906 CONECT 950 905 CONECT 951 902 952 958 959 CONECT 952 951 953 956 957 CONECT 953 901 952 954 955 CONECT 954 953 CONECT 955 953 CONECT 956 952 CONECT 957 952 CONECT 958 951 CONECT 959 951 CONECT 960 902 CONECT 961 898 962 972 973 CONECT 962 961 963 967 971 CONECT 963 962 964 965 966 CONECT 964 963 CONECT 965 963 CONECT 966 963 CONECT 967 962 968 969 970 CONECT 968 967 CONECT 969 967 CONECT 970 967 CONECT 971 962 CONECT 972 961 CONECT 973 961 CONECT 974 898 CONECT 975 897 CONECT 976 894 977 983 984 CONECT 977 976 978 981 982 CONECT 978 893 977 979 980 CONECT 979 978 CONECT 980 978 CONECT 981 977 CONECT 982 977 CONECT 983 976 CONECT 984 976 CONECT 985 894 CONECT 986 890 987 993 994 CONECT 987 986 988 991 992 CONECT 988 889 987 989 990 CONECT 989 988 CONECT 990 988 CONECT 991 987 CONECT 992 987 CONECT 993 986 CONECT 994 986 CONECT 995 890 CONECT 996 886 997 1007 1008 CONECT 997 996 998 1002 1006 CONECT 998 997 999 1000 1001 CONECT 999 998 CONECT 1000 998 CONECT 1001 998 CONECT 1002 997 1003 1004 1005 CONECT 1003 1002 CONECT 1004 1002 CONECT 1005 1002 CONECT 1006 997 CONECT 1007 996 CONECT 1008 996 CONECT 1009 886 CONECT 1010 885 CONECT 1011 882 1012 1013 1014 CONECT 1012 1011 CONECT 1013 1011 CONECT 1014 1011 CONECT 1015 882 CONECT 1016 881 CONECT 1017 878 1018 1033 1034 CONECT 1018 1017 1019 1031 1032 CONECT 1019 1018 1020 1029 1030 CONECT 1020 1019 1021 1028 CONECT 1021 1020 1022 1025 CONECT 1022 1021 1023 1024 CONECT 1023 1022 CONECT 1024 1022 CONECT 1025 1021 1026 1027 CONECT 1026 1025 CONECT 1027 1025 CONECT 1028 1020 CONECT 1029 1019 CONECT 1030 1019 CONECT 1031 1018 CONECT 1032 1018 CONECT 1033 1017 CONECT 1034 1017 CONECT 1035 878 CONECT 1036 877 CONECT 1037 877 CONECT 1038 877 MASTER 0 0 0 0 0 0 0 0 1037 1 166 5 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 1rlq
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%
1prm
RCSB PDB
PDBbind
64aa, >1PRM_1|Chain... at 96%
1rlp
RCSB PDB
PDBbind
64aa, >1RLP_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
1prm
RCSB PDB
PDBbind
9-mer
1rlp
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
1rlq
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=8.0uM
Release Year
1995
Protein/NA Sequence
Check fasta file
Primary Reference
Science v266 pp. 1241-7, 1994
Ligand Properties
Formula
C
5
1
H
8
6
N
1
5
O
1
1
Molecular Weight
1085.320
Exact Mass
1084.660
No. of atoms
163
No. of bonds
166
Polar Surface Area
423.62
LOGP Value
2.46 (
Computed with XLOGP3
)
-2.02 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 36
No. of Nitrogen and Oxygen Atoms: 26
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)Cc1ccc(cc1)O)CCC[NH+]=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC[NH+]=C(N)N)[NH3+])C)CC(C)C)C
InChI String
InChI=1S/C51H83N15O11/c1-28(2)25-35(61-41(68)30(5)59-42(69)33(52)11-6-20-57-50(53)54)47(74)66-24-10-15-40(66)48(75)65-23-9-14-39(65)45(72)62-36(26-29(3)4)46(73)64-22-8-13-38(64)44(71)60-34(12-7-21-58-51(55)56)43(70)63-37(49(76)77)27-31-16-18-32(67)19-17-31/h16-19,28-30,33-40,67H,6-15,20-27,52H2,1-5H3,(H,59,69)(H,60,71)(H,61,68)(H,62,72)(H,63,70)(H,76,77)(H4,53,54,57)(H4,55,56,58)/p+3/t30-,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P00523
Entrez Gene ID
NCBI Entrez Gene ID:
396442
ASD
Information of known allosteric effects of PDB entries
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