Browse entries in the PDBbind-CN Database
HEADER 1NLP_COMPLEX COMPND 1NLP_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 ACE A 57 156 ATOM 1 N THR C 9 53.762 8.263 -8.197 1.00 1.31 N ATOM 2 CA THR C 9 52.494 7.515 -8.432 1.00 0.77 C ATOM 3 C THR C 9 52.801 6.023 -8.567 1.00 0.62 C ATOM 4 O THR C 9 53.232 5.559 -9.603 1.00 0.75 O ATOM 5 CB THR C 9 51.833 8.019 -9.717 1.00 1.28 C ATOM 6 OG1 THR C 9 52.063 9.414 -9.850 1.00 1.56 O ATOM 7 CG2 THR C 9 50.329 7.751 -9.658 1.00 1.77 C ATOM 8 HA THR C 9 51.818 7.673 -7.591 1.00 0.00 H ATOM 9 HB THR C 9 52.259 7.497 -10.574 1.00 0.00 H ATOM 10 HG1 THR C 9 51.635 9.740 -10.681 1.00 0.00 H ATOM 11 HG23 THR C 9 50.156 6.680 -9.556 1.00 0.00 H ATOM 12 HG21 THR C 9 49.902 8.273 -8.802 1.00 0.00 H ATOM 13 HG22 THR C 9 49.861 8.110 -10.574 1.00 0.00 H ATOM 14 HN3 THR C 9 54.406 8.112 -8.999 1.00 0.00 H ATOM 15 HN2 THR C 9 54.209 7.920 -7.323 1.00 0.00 H ATOM 16 HN1 THR C 9 53.553 9.278 -8.105 1.00 0.00 H ATOM 17 N PHE C 10 52.584 5.268 -7.525 1.00 0.49 N ATOM 18 CA PHE C 10 52.865 3.807 -7.593 1.00 0.37 C ATOM 19 C PHE C 10 51.548 3.038 -7.738 1.00 0.33 C ATOM 20 O PHE C 10 50.477 3.610 -7.707 1.00 0.40 O ATOM 21 CB PHE C 10 53.572 3.366 -6.310 1.00 0.42 C ATOM 22 CG PHE C 10 55.066 3.521 -6.475 1.00 0.43 C ATOM 23 CD1 PHE C 10 55.581 4.586 -7.224 1.00 1.19 C ATOM 24 CD2 PHE C 10 55.936 2.600 -5.879 1.00 1.37 C ATOM 25 CE1 PHE C 10 56.966 4.729 -7.377 1.00 1.21 C ATOM 26 CE2 PHE C 10 57.321 2.744 -6.032 1.00 1.37 C ATOM 27 CZ PHE C 10 57.835 3.808 -6.781 1.00 0.49 C ATOM 28 HA PHE C 10 53.503 3.599 -8.452 1.00 0.00 H ATOM 29 HB2 PHE C 10 53.233 3.983 -5.478 1.00 0.00 H ATOM 30 HB3 PHE C 10 53.336 2.322 -6.106 1.00 0.00 H ATOM 31 HD2 PHE C 10 55.536 1.771 -5.296 1.00 0.00 H ATOM 32 HE2 PHE C 10 57.998 2.027 -5.568 1.00 0.00 H ATOM 33 HZ PHE C 10 58.913 3.920 -6.900 1.00 0.00 H ATOM 34 HE1 PHE C 10 57.367 5.558 -7.960 1.00 0.00 H ATOM 35 HD1 PHE C 10 54.904 5.304 -7.688 1.00 0.00 H ATOM 36 H PHE C 10 52.215 5.686 -6.647 1.00 0.00 H ATOM 37 N VAL C 11 51.623 1.744 -7.894 1.00 0.34 N ATOM 38 CA VAL C 11 50.380 0.933 -8.040 1.00 0.37 C ATOM 39 C VAL C 11 50.428 -0.242 -7.061 1.00 0.32 C ATOM 40 O VAL C 11 51.427 -0.921 -6.942 1.00 0.34 O ATOM 41 CB VAL C 11 50.284 0.401 -9.471 1.00 0.44 C ATOM 42 CG1 VAL C 11 48.990 -0.399 -9.633 1.00 0.58 C ATOM 43 CG2 VAL C 11 50.283 1.576 -10.451 1.00 0.57 C ATOM 44 HA VAL C 11 49.510 1.553 -7.825 1.00 0.00 H ATOM 45 HB VAL C 11 51.138 -0.245 -9.677 1.00 0.00 H ATOM 46 HG11 VAL C 11 48.991 -1.235 -8.934 1.00 0.00 H ATOM 47 HG12 VAL C 11 48.137 0.247 -9.427 1.00 0.00 H ATOM 48 HG13 VAL C 11 48.923 -0.777 -10.653 1.00 0.00 H ATOM 49 HG21 VAL C 11 49.428 2.220 -10.243 1.00 0.00 H ATOM 50 HG22 VAL C 11 51.205 2.145 -10.335 1.00 0.00 H ATOM 51 HG23 VAL C 11 50.215 1.197 -11.471 1.00 0.00 H ATOM 52 H VAL C 11 52.552 1.277 -7.917 1.00 0.00 H ATOM 53 N ALA C 12 49.361 -0.486 -6.354 1.00 0.32 N ATOM 54 CA ALA C 12 49.360 -1.614 -5.380 1.00 0.32 C ATOM 55 C ALA C 12 49.145 -2.939 -6.115 1.00 0.32 C ATOM 56 O ALA C 12 48.026 -3.349 -6.352 1.00 0.36 O ATOM 57 CB ALA C 12 48.237 -1.412 -4.362 1.00 0.35 C ATOM 58 HA ALA C 12 50.321 -1.639 -4.866 1.00 0.00 H ATOM 59 HB1 ALA C 12 48.395 -0.474 -3.830 1.00 0.00 H ATOM 60 HB2 ALA C 12 47.279 -1.380 -4.881 1.00 0.00 H ATOM 61 HB3 ALA C 12 48.239 -2.239 -3.652 1.00 0.00 H ATOM 62 H ALA C 12 48.513 0.105 -6.469 1.00 0.00 H ATOM 63 N LEU C 13 50.211 -3.611 -6.466 1.00 0.31 N ATOM 64 CA LEU C 13 50.086 -4.919 -7.173 1.00 0.35 C ATOM 65 C LEU C 13 48.918 -5.708 -6.589 1.00 0.34 C ATOM 66 O LEU C 13 48.270 -6.471 -7.277 1.00 0.37 O ATOM 67 CB LEU C 13 51.379 -5.716 -6.991 1.00 0.40 C ATOM 68 CG LEU C 13 52.517 -5.018 -7.738 1.00 0.52 C ATOM 69 CD1 LEU C 13 53.842 -5.706 -7.409 1.00 0.67 C ATOM 70 CD2 LEU C 13 52.262 -5.100 -9.244 1.00 0.67 C ATOM 71 HA LEU C 13 49.908 -4.743 -8.234 1.00 0.00 H ATOM 72 HB2 LEU C 13 51.623 -5.776 -5.930 1.00 0.00 H ATOM 73 HB3 LEU C 13 51.245 -6.722 -7.389 1.00 0.00 H ATOM 74 HG LEU C 13 52.565 -3.973 -7.432 1.00 0.00 H ATOM 75 HD21 LEU C 13 52.215 -6.146 -9.547 1.00 0.00 H ATOM 76 HD22 LEU C 13 51.317 -4.610 -9.478 1.00 0.00 H ATOM 77 HD23 LEU C 13 53.073 -4.603 -9.776 1.00 0.00 H ATOM 78 HD11 LEU C 13 54.023 -5.649 -6.336 1.00 0.00 H ATOM 79 HD12 LEU C 13 53.793 -6.751 -7.715 1.00 0.00 H ATOM 80 HD13 LEU C 13 54.651 -5.207 -7.942 1.00 0.00 H ATOM 81 H LEU C 13 51.154 -3.230 -6.250 1.00 0.00 H ATOM 82 N TYR C 14 48.643 -5.537 -5.326 1.00 0.34 N ATOM 83 CA TYR C 14 47.516 -6.295 -4.715 1.00 0.37 C ATOM 84 C TYR C 14 46.917 -5.513 -3.549 1.00 0.36 C ATOM 85 O TYR C 14 47.519 -4.599 -3.024 1.00 0.36 O ATOM 86 CB TYR C 14 48.047 -7.631 -4.206 1.00 0.39 C ATOM 87 CG TYR C 14 49.001 -8.194 -5.226 1.00 0.44 C ATOM 88 CD1 TYR C 14 48.498 -8.840 -6.360 1.00 1.39 C ATOM 89 CD2 TYR C 14 50.385 -8.069 -5.046 1.00 1.20 C ATOM 90 CE1 TYR C 14 49.376 -9.365 -7.312 1.00 1.45 C ATOM 91 CE2 TYR C 14 51.260 -8.592 -5.999 1.00 1.22 C ATOM 92 CZ TYR C 14 50.758 -9.241 -7.133 1.00 0.64 C ATOM 93 OH TYR C 14 51.626 -9.756 -8.075 1.00 0.77 O ATOM 94 HA TYR C 14 46.740 -6.453 -5.464 1.00 0.00 H ATOM 95 HB3 TYR C 14 47.218 -8.323 -4.058 1.00 0.00 H ATOM 96 HB2 TYR C 14 48.567 -7.482 -3.260 1.00 0.00 H ATOM 97 HD2 TYR C 14 50.777 -7.564 -4.163 1.00 0.00 H ATOM 98 HE2 TYR C 14 52.337 -8.495 -5.860 1.00 0.00 H ATOM 99 HE1 TYR C 14 48.984 -9.871 -8.194 1.00 0.00 H ATOM 100 HD1 TYR C 14 47.421 -8.934 -6.501 1.00 0.00 H ATOM 101 HH TYR C 14 51.107 -10.177 -8.805 1.00 0.00 H ATOM 102 H TYR C 14 49.205 -4.878 -4.751 1.00 0.00 H ATOM 103 N ASP C 15 45.737 -5.880 -3.130 1.00 0.43 N ATOM 104 CA ASP C 15 45.104 -5.171 -1.987 1.00 0.43 C ATOM 105 C ASP C 15 45.934 -5.444 -0.737 1.00 0.39 C ATOM 106 O ASP C 15 46.111 -6.578 -0.338 1.00 0.43 O ATOM 107 CB ASP C 15 43.678 -5.690 -1.769 1.00 0.50 C ATOM 108 CG ASP C 15 42.947 -5.805 -3.109 1.00 0.98 C ATOM 109 OD1 ASP C 15 43.225 -6.743 -3.837 1.00 1.91 O ATOM 110 OD2 ASP C 15 42.111 -4.959 -3.380 1.00 1.21 O ATOM 111 HA ASP C 15 45.061 -4.102 -2.194 1.00 0.00 H ATOM 112 HB2 ASP C 15 43.720 -6.671 -1.296 1.00 0.00 H ATOM 113 HB3 ASP C 15 43.138 -4.999 -1.122 1.00 0.00 H ATOM 114 H ASP C 15 45.240 -6.667 -3.595 1.00 0.00 H ATOM 115 N TYR C 16 46.458 -4.426 -0.116 1.00 0.36 N ATOM 116 CA TYR C 16 47.282 -4.666 1.095 1.00 0.33 C ATOM 117 C TYR C 16 46.435 -4.478 2.352 1.00 0.34 C ATOM 118 O TYR C 16 45.846 -3.437 2.567 1.00 0.38 O ATOM 119 CB TYR C 16 48.468 -3.704 1.114 1.00 0.31 C ATOM 120 CG TYR C 16 49.110 -3.701 2.470 1.00 0.31 C ATOM 121 CD1 TYR C 16 49.569 -4.900 3.003 1.00 1.10 C ATOM 122 CD2 TYR C 16 49.256 -2.510 3.184 1.00 1.06 C ATOM 123 CE1 TYR C 16 50.177 -4.921 4.263 1.00 1.14 C ATOM 124 CE2 TYR C 16 49.864 -2.522 4.444 1.00 1.04 C ATOM 125 CZ TYR C 16 50.325 -3.730 4.985 1.00 0.35 C ATOM 126 OH TYR C 16 50.925 -3.745 6.228 1.00 0.39 O ATOM 127 HA TYR C 16 47.655 -5.690 1.073 1.00 0.00 H ATOM 128 HB3 TYR C 16 48.120 -2.698 0.878 1.00 0.00 H ATOM 129 HB2 TYR C 16 49.199 -4.019 0.370 1.00 0.00 H ATOM 130 HD2 TYR C 16 48.897 -1.572 2.760 1.00 0.00 H ATOM 131 HE2 TYR C 16 49.979 -1.594 5.004 1.00 0.00 H ATOM 132 HE1 TYR C 16 50.535 -5.862 4.682 1.00 0.00 H ATOM 133 HD1 TYR C 16 49.455 -5.825 2.438 1.00 0.00 H ATOM 134 HH TYR C 16 51.188 -4.672 6.455 1.00 0.00 H ATOM 135 H TYR C 16 46.301 -3.459 -0.464 1.00 0.00 H ATOM 136 N GLU C 17 46.378 -5.481 3.184 1.00 0.34 N ATOM 137 CA GLU C 17 45.578 -5.368 4.438 1.00 0.37 C ATOM 138 C GLU C 17 46.498 -4.949 5.588 1.00 0.37 C ATOM 139 O GLU C 17 47.125 -5.772 6.225 1.00 0.58 O ATOM 140 CB GLU C 17 44.930 -6.717 4.763 1.00 0.43 C ATOM 141 CG GLU C 17 45.910 -7.849 4.448 1.00 1.48 C ATOM 142 CD GLU C 17 45.366 -9.165 5.008 1.00 2.04 C ATOM 143 OE1 GLU C 17 44.472 -9.723 4.394 1.00 2.73 O ATOM 144 OE2 GLU C 17 45.853 -9.591 6.042 1.00 2.49 O ATOM 145 HA GLU C 17 44.796 -4.620 4.304 1.00 0.00 H ATOM 146 HB2 GLU C 17 44.668 -6.748 5.821 1.00 0.00 H ATOM 147 HB3 GLU C 17 44.029 -6.840 4.163 1.00 0.00 H ATOM 148 HG2 GLU C 17 46.031 -7.936 3.368 1.00 0.00 H ATOM 149 HG3 GLU C 17 46.876 -7.631 4.904 1.00 0.00 H ATOM 150 H GLU C 17 46.891 -6.361 2.973 1.00 0.00 H ATOM 151 N SER C 18 46.587 -3.673 5.854 1.00 0.43 N ATOM 152 CA SER C 18 47.471 -3.196 6.956 1.00 0.45 C ATOM 153 C SER C 18 46.974 -3.743 8.297 1.00 0.48 C ATOM 154 O SER C 18 45.828 -4.122 8.439 1.00 0.62 O ATOM 155 CB SER C 18 47.451 -1.667 6.994 1.00 0.58 C ATOM 156 OG SER C 18 46.547 -1.231 8.001 1.00 1.44 O ATOM 157 HA SER C 18 48.487 -3.548 6.780 1.00 0.00 H ATOM 158 HB2 SER C 18 47.130 -1.283 6.026 1.00 0.00 H ATOM 159 HB3 SER C 18 48.451 -1.295 7.217 1.00 0.00 H ATOM 160 HG SER C 18 46.534 -0.241 8.025 1.00 0.00 H ATOM 161 H SER C 18 46.039 -2.988 5.295 1.00 0.00 H ATOM 162 N ARG C 19 47.831 -3.786 9.282 1.00 0.63 N ATOM 163 CA ARG C 19 47.410 -4.308 10.614 1.00 0.83 C ATOM 164 C ARG C 19 47.714 -3.270 11.700 1.00 0.80 C ATOM 165 O ARG C 19 47.169 -3.319 12.785 1.00 1.02 O ATOM 166 CB ARG C 19 48.173 -5.599 10.921 1.00 1.08 C ATOM 167 CG ARG C 19 47.730 -6.698 9.952 1.00 1.39 C ATOM 168 CD ARG C 19 48.961 -7.416 9.395 1.00 1.92 C ATOM 169 NE ARG C 19 48.525 -8.542 8.521 1.00 2.62 N ATOM 170 CZ ARG C 19 48.091 -9.654 9.051 1.00 3.23 C ATOM 171 NH1 ARG C 19 48.041 -9.787 10.350 1.00 3.32 N ATOM 172 NH2 ARG C 19 47.709 -10.635 8.280 1.00 4.22 N ATOM 173 HA ARG C 19 46.339 -4.509 10.597 1.00 0.00 H ATOM 174 HB2 ARG C 19 49.243 -5.424 10.808 1.00 0.00 H ATOM 175 HB3 ARG C 19 47.963 -5.911 11.944 1.00 0.00 H ATOM 176 HG2 ARG C 19 47.099 -7.414 10.479 1.00 0.00 H ATOM 177 HG3 ARG C 19 47.166 -6.254 9.132 1.00 0.00 H ATOM 178 HD2 ARG C 19 49.559 -7.805 10.219 1.00 0.00 H ATOM 179 HD3 ARG C 19 49.559 -6.715 8.813 1.00 0.00 H ATOM 180 HE ARG C 19 48.566 -8.442 7.487 1.00 0.00 H ATOM 181 HH12 ARG C 19 47.695 -10.674 10.769 1.00 0.00 H ATOM 182 HH11 ARG C 19 48.347 -9.006 10.965 1.00 0.00 H ATOM 183 HH22 ARG C 19 47.363 -11.522 8.699 1.00 0.00 H ATOM 184 HH21 ARG C 19 47.751 -10.530 7.246 1.00 0.00 H ATOM 185 H ARG C 19 48.807 -3.456 9.137 1.00 0.00 H ATOM 186 N THR C 20 48.579 -2.332 11.422 1.00 0.74 N ATOM 187 CA THR C 20 48.910 -1.301 12.446 1.00 0.87 C ATOM 188 C THR C 20 48.269 0.031 12.056 1.00 0.99 C ATOM 189 O THR C 20 47.673 0.161 11.004 1.00 1.17 O ATOM 190 CB THR C 20 50.429 -1.131 12.533 1.00 1.00 C ATOM 191 OG1 THR C 20 50.729 0.122 13.132 1.00 1.20 O ATOM 192 CG2 THR C 20 51.037 -1.187 11.131 1.00 1.02 C ATOM 193 HA THR C 20 48.526 -1.619 13.415 1.00 0.00 H ATOM 194 HB THR C 20 50.849 -1.935 13.138 1.00 0.00 H ATOM 195 HG1 THR C 20 51.711 0.233 13.189 1.00 0.00 H ATOM 196 HG23 THR C 20 50.805 -2.149 10.674 1.00 0.00 H ATOM 197 HG21 THR C 20 50.619 -0.385 10.523 1.00 0.00 H ATOM 198 HG22 THR C 20 52.118 -1.067 11.200 1.00 0.00 H ATOM 199 H THR C 20 49.036 -2.305 10.488 1.00 0.00 H ATOM 200 N GLU C 21 48.382 1.022 12.897 1.00 1.30 N ATOM 201 CA GLU C 21 47.776 2.345 12.578 1.00 1.61 C ATOM 202 C GLU C 21 48.782 3.204 11.808 1.00 1.26 C ATOM 203 O GLU C 21 48.593 4.392 11.637 1.00 1.74 O ATOM 204 CB GLU C 21 47.393 3.054 13.880 1.00 2.17 C ATOM 205 CG GLU C 21 45.908 2.825 14.169 1.00 2.79 C ATOM 206 CD GLU C 21 45.539 3.485 15.499 1.00 3.42 C ATOM 207 OE1 GLU C 21 46.134 4.501 15.819 1.00 4.00 O ATOM 208 OE2 GLU C 21 44.668 2.963 16.176 1.00 3.79 O ATOM 209 HA GLU C 21 46.887 2.196 11.965 1.00 0.00 H ATOM 210 HB2 GLU C 21 47.989 2.654 14.700 1.00 0.00 H ATOM 211 HB3 GLU C 21 47.584 4.123 13.782 1.00 0.00 H ATOM 212 HG2 GLU C 21 45.310 3.261 13.369 1.00 0.00 H ATOM 213 HG3 GLU C 21 45.710 1.755 14.227 1.00 0.00 H ATOM 214 H GLU C 21 48.896 0.888 13.791 1.00 0.00 H ATOM 215 N THR C 22 49.850 2.617 11.340 1.00 0.66 N ATOM 216 CA THR C 22 50.861 3.407 10.581 1.00 0.49 C ATOM 217 C THR C 22 50.661 3.189 9.082 1.00 0.40 C ATOM 218 O THR C 22 50.673 4.121 8.304 1.00 0.69 O ATOM 219 CB THR C 22 52.270 2.952 10.967 1.00 0.72 C ATOM 220 OG1 THR C 22 52.223 1.606 11.421 1.00 1.20 O ATOM 221 CG2 THR C 22 52.819 3.848 12.076 1.00 0.86 C ATOM 222 HA THR C 22 50.739 4.463 10.820 1.00 0.00 H ATOM 223 HB THR C 22 52.923 3.021 10.097 1.00 0.00 H ATOM 224 HG1 THR C 22 51.628 1.546 12.210 1.00 0.00 H ATOM 225 HG23 THR C 22 52.854 4.879 11.724 1.00 0.00 H ATOM 226 HG21 THR C 22 52.170 3.782 12.949 1.00 0.00 H ATOM 227 HG22 THR C 22 53.824 3.520 12.343 1.00 0.00 H ATOM 228 H THR C 22 49.995 1.599 11.497 1.00 0.00 H ATOM 229 N ASP C 23 50.491 1.963 8.667 1.00 0.48 N ATOM 230 CA ASP C 23 50.309 1.691 7.215 1.00 0.42 C ATOM 231 C ASP C 23 48.821 1.618 6.869 1.00 0.43 C ATOM 232 O ASP C 23 48.000 1.229 7.675 1.00 0.55 O ATOM 233 CB ASP C 23 50.982 0.364 6.854 1.00 0.52 C ATOM 234 CG ASP C 23 52.294 0.228 7.629 1.00 1.10 C ATOM 235 OD1 ASP C 23 52.234 0.131 8.844 1.00 1.68 O ATOM 236 OD2 ASP C 23 53.336 0.222 6.995 1.00 2.00 O ATOM 237 HA ASP C 23 50.764 2.502 6.646 1.00 0.00 H ATOM 238 HB2 ASP C 23 50.319 -0.462 7.113 1.00 0.00 H ATOM 239 HB3 ASP C 23 51.188 0.340 5.784 1.00 0.00 H ATOM 240 H ASP C 23 50.483 1.178 9.349 1.00 0.00 H ATOM 241 N LEU C 24 48.475 1.984 5.663 1.00 0.39 N ATOM 242 CA LEU C 24 47.048 1.934 5.242 1.00 0.46 C ATOM 243 C LEU C 24 46.837 0.714 4.344 1.00 0.44 C ATOM 244 O LEU C 24 47.768 0.192 3.764 1.00 0.54 O ATOM 245 CB LEU C 24 46.697 3.199 4.453 1.00 0.53 C ATOM 246 CG LEU C 24 46.382 4.344 5.417 1.00 0.60 C ATOM 247 CD1 LEU C 24 46.436 5.673 4.661 1.00 1.65 C ATOM 248 CD2 LEU C 24 44.981 4.151 5.997 1.00 1.25 C ATOM 249 HA LEU C 24 46.411 1.867 6.124 1.00 0.00 H ATOM 250 HB2 LEU C 24 47.542 3.478 3.823 1.00 0.00 H ATOM 251 HB3 LEU C 24 45.827 3.004 3.826 1.00 0.00 H ATOM 252 HG LEU C 24 47.114 4.351 6.225 1.00 0.00 H ATOM 253 HD21 LEU C 24 44.251 4.146 5.187 1.00 0.00 H ATOM 254 HD22 LEU C 24 44.938 3.202 6.532 1.00 0.00 H ATOM 255 HD23 LEU C 24 44.758 4.968 6.684 1.00 0.00 H ATOM 256 HD11 LEU C 24 47.433 5.812 4.243 1.00 0.00 H ATOM 257 HD12 LEU C 24 45.702 5.662 3.856 1.00 0.00 H ATOM 258 HD13 LEU C 24 46.212 6.489 5.347 1.00 0.00 H ATOM 259 H LEU C 24 49.200 2.312 4.994 1.00 0.00 H ATOM 260 N SER C 25 45.623 0.260 4.218 1.00 0.39 N ATOM 261 CA SER C 25 45.359 -0.919 3.350 1.00 0.38 C ATOM 262 C SER C 25 44.892 -0.434 1.978 1.00 0.40 C ATOM 263 O SER C 25 44.056 0.441 1.875 1.00 0.44 O ATOM 264 CB SER C 25 44.266 -1.781 3.980 1.00 0.41 C ATOM 265 OG SER C 25 43.846 -1.186 5.201 1.00 0.44 O ATOM 266 HA SER C 25 46.270 -1.508 3.244 1.00 0.00 H ATOM 267 HB2 SER C 25 44.657 -2.779 4.176 1.00 0.00 H ATOM 268 HB3 SER C 25 43.419 -1.851 3.298 1.00 0.00 H ATOM 269 HG SER C 25 43.138 -1.743 5.611 1.00 0.00 H ATOM 270 H SER C 25 44.839 0.721 4.723 1.00 0.00 H ATOM 271 N PHE C 26 45.415 -0.991 0.920 1.00 0.39 N ATOM 272 CA PHE C 26 44.974 -0.543 -0.430 1.00 0.42 C ATOM 273 C PHE C 26 44.418 -1.729 -1.218 1.00 0.43 C ATOM 274 O PHE C 26 44.331 -2.833 -0.719 1.00 0.43 O ATOM 275 CB PHE C 26 46.138 0.086 -1.203 1.00 0.40 C ATOM 276 CG PHE C 26 47.423 -0.675 -0.983 1.00 0.37 C ATOM 277 CD1 PHE C 26 47.599 -1.924 -1.580 1.00 1.30 C ATOM 278 CD2 PHE C 26 48.455 -0.110 -0.224 1.00 1.21 C ATOM 279 CE1 PHE C 26 48.807 -2.613 -1.422 1.00 1.28 C ATOM 280 CE2 PHE C 26 49.660 -0.802 -0.057 1.00 1.22 C ATOM 281 CZ PHE C 26 49.837 -2.052 -0.659 1.00 0.33 C ATOM 282 HA PHE C 26 44.194 0.208 -0.302 1.00 0.00 H ATOM 283 HB2 PHE C 26 45.901 0.081 -2.267 1.00 0.00 H ATOM 284 HB3 PHE C 26 46.273 1.114 -0.867 1.00 0.00 H ATOM 285 HD2 PHE C 26 48.320 0.869 0.237 1.00 0.00 H ATOM 286 HE2 PHE C 26 50.460 -0.367 0.542 1.00 0.00 H ATOM 287 HZ PHE C 26 50.777 -2.589 -0.534 1.00 0.00 H ATOM 288 HE1 PHE C 26 48.945 -3.586 -1.893 1.00 0.00 H ATOM 289 HD1 PHE C 26 46.795 -2.364 -2.170 1.00 0.00 H ATOM 290 H PHE C 26 46.131 -1.739 1.018 1.00 0.00 H ATOM 291 N LYS C 27 44.030 -1.503 -2.445 1.00 0.49 N ATOM 292 CA LYS C 27 43.468 -2.611 -3.267 1.00 0.53 C ATOM 293 C LYS C 27 44.350 -2.843 -4.497 1.00 0.48 C ATOM 294 O LYS C 27 45.256 -2.082 -4.777 1.00 0.50 O ATOM 295 CB LYS C 27 42.053 -2.241 -3.714 1.00 0.62 C ATOM 296 CG LYS C 27 41.074 -2.508 -2.570 1.00 1.13 C ATOM 297 CD LYS C 27 39.691 -2.821 -3.142 1.00 1.53 C ATOM 298 CE LYS C 27 38.645 -1.949 -2.449 1.00 2.34 C ATOM 299 NZ LYS C 27 37.291 -2.284 -2.973 1.00 3.15 N ATOM 300 HA LYS C 27 43.437 -3.524 -2.672 1.00 0.00 H ATOM 301 HB2 LYS C 27 42.020 -1.185 -3.982 1.00 0.00 H ATOM 302 HB3 LYS C 27 41.775 -2.843 -4.579 1.00 0.00 H ATOM 303 HG2 LYS C 27 41.425 -3.357 -1.982 1.00 0.00 H ATOM 304 HG3 LYS C 27 41.012 -1.627 -1.932 1.00 0.00 H ATOM 305 HD2 LYS C 27 39.685 -2.615 -4.212 1.00 0.00 H ATOM 306 HD3 LYS C 27 39.457 -3.872 -2.974 1.00 0.00 H ATOM 307 HE2 LYS C 27 38.861 -0.899 -2.644 1.00 0.00 H ATOM 308 HE3 LYS C 27 38.674 -2.131 -1.375 1.00 0.00 H ATOM 309 HZ1 LYS C 27 37.264 -2.109 -3.998 1.00 0.00 H ATOM 310 HZ2 LYS C 27 37.086 -3.286 -2.786 1.00 0.00 H ATOM 311 HZ3 LYS C 27 36.581 -1.689 -2.500 1.00 0.00 H ATOM 312 H LYS C 27 44.114 -0.548 -2.848 1.00 0.00 H ATOM 313 N LYS C 28 44.092 -3.889 -5.235 1.00 0.49 N ATOM 314 CA LYS C 28 44.913 -4.172 -6.445 1.00 0.50 C ATOM 315 C LYS C 28 44.538 -3.189 -7.555 1.00 0.48 C ATOM 316 O LYS C 28 43.389 -3.072 -7.932 1.00 0.66 O ATOM 317 CB LYS C 28 44.647 -5.603 -6.917 1.00 0.61 C ATOM 318 CG LYS C 28 45.452 -5.880 -8.188 1.00 0.89 C ATOM 319 CD LYS C 28 44.523 -6.434 -9.270 1.00 1.33 C ATOM 320 CE LYS C 28 45.237 -7.551 -10.032 1.00 2.07 C ATOM 321 NZ LYS C 28 44.271 -8.231 -10.941 1.00 2.81 N ATOM 322 HA LYS C 28 45.970 -4.060 -6.203 1.00 0.00 H ATOM 323 HB2 LYS C 28 44.946 -6.304 -6.138 1.00 0.00 H ATOM 324 HB3 LYS C 28 43.584 -5.725 -7.126 1.00 0.00 H ATOM 325 HG2 LYS C 28 45.907 -4.954 -8.539 1.00 0.00 H ATOM 326 HG3 LYS C 28 46.233 -6.608 -7.972 1.00 0.00 H ATOM 327 HD2 LYS C 28 43.620 -6.830 -8.806 1.00 0.00 H ATOM 328 HD3 LYS C 28 44.254 -5.636 -9.962 1.00 0.00 H ATOM 329 HE2 LYS C 28 45.640 -8.274 -9.323 1.00 0.00 H ATOM 330 HE3 LYS C 28 46.052 -7.127 -10.619 1.00 0.00 H ATOM 331 HZ1 LYS C 28 43.495 -8.636 -10.380 1.00 0.00 H ATOM 332 HZ2 LYS C 28 43.888 -7.540 -11.617 1.00 0.00 H ATOM 333 HZ3 LYS C 28 44.759 -8.990 -11.458 1.00 0.00 H ATOM 334 H LYS C 28 43.311 -4.526 -4.977 1.00 0.00 H ATOM 335 N GLY C 29 45.499 -2.481 -8.081 1.00 0.50 N ATOM 336 CA GLY C 29 45.196 -1.505 -9.165 1.00 0.57 C ATOM 337 C GLY C 29 45.013 -0.113 -8.559 1.00 0.53 C ATOM 338 O GLY C 29 44.936 0.875 -9.262 1.00 0.60 O ATOM 339 HA3 GLY C 29 44.281 -1.802 -9.677 1.00 0.00 H ATOM 340 HA2 GLY C 29 46.020 -1.486 -9.878 1.00 0.00 H ATOM 341 H GLY C 29 46.476 -2.598 -7.744 1.00 0.00 H ATOM 342 N GLU C 30 44.943 -0.025 -7.259 1.00 0.50 N ATOM 343 CA GLU C 30 44.766 1.305 -6.612 1.00 0.53 C ATOM 344 C GLU C 30 46.049 2.122 -6.772 1.00 0.45 C ATOM 345 O GLU C 30 47.141 1.591 -6.749 1.00 0.49 O ATOM 346 CB GLU C 30 44.465 1.114 -5.124 1.00 0.62 C ATOM 347 CG GLU C 30 44.120 2.466 -4.496 1.00 0.77 C ATOM 348 CD GLU C 30 43.175 2.253 -3.312 1.00 1.04 C ATOM 349 OE1 GLU C 30 43.572 1.579 -2.376 1.00 1.13 O ATOM 350 OE2 GLU C 30 42.070 2.768 -3.362 1.00 1.87 O ATOM 351 HA GLU C 30 43.937 1.832 -7.084 1.00 0.00 H ATOM 352 HB2 GLU C 30 43.622 0.433 -5.008 1.00 0.00 H ATOM 353 HB3 GLU C 30 45.340 0.695 -4.627 1.00 0.00 H ATOM 354 HG2 GLU C 30 45.033 2.950 -4.150 1.00 0.00 H ATOM 355 HG3 GLU C 30 43.635 3.099 -5.239 1.00 0.00 H ATOM 356 H GLU C 30 45.011 -0.883 -6.675 1.00 0.00 H ATOM 357 N ARG C 31 45.927 3.411 -6.934 1.00 0.50 N ATOM 358 CA ARG C 31 47.142 4.258 -7.094 1.00 0.50 C ATOM 359 C ARG C 31 47.447 4.966 -5.773 1.00 0.44 C ATOM 360 O ARG C 31 46.566 5.489 -5.120 1.00 0.60 O ATOM 361 CB ARG C 31 46.898 5.300 -8.188 1.00 0.67 C ATOM 362 CG ARG C 31 46.287 4.620 -9.415 1.00 0.97 C ATOM 363 CD ARG C 31 46.852 5.256 -10.686 1.00 1.31 C ATOM 364 NE ARG C 31 45.926 6.322 -11.161 1.00 1.97 N ATOM 365 CZ ARG C 31 46.030 6.789 -12.376 1.00 2.71 C ATOM 366 NH1 ARG C 31 46.947 6.326 -13.182 1.00 3.06 N ATOM 367 NH2 ARG C 31 45.215 7.722 -12.785 1.00 3.62 N ATOM 368 HA ARG C 31 47.988 3.630 -7.374 1.00 0.00 H ATOM 369 HB2 ARG C 31 46.214 6.063 -7.817 1.00 0.00 H ATOM 370 HB3 ARG C 31 47.844 5.766 -8.464 1.00 0.00 H ATOM 371 HG2 ARG C 31 46.531 3.558 -9.401 1.00 0.00 H ATOM 372 HG3 ARG C 31 45.204 4.743 -9.397 1.00 0.00 H ATOM 373 HD2 ARG C 31 46.956 4.494 -11.459 1.00 0.00 H ATOM 374 HD3 ARG C 31 47.828 5.691 -10.472 1.00 0.00 H ATOM 375 HE ARG C 31 45.194 6.695 -10.523 1.00 0.00 H ATOM 376 HH12 ARG C 31 47.027 6.701 -14.149 1.00 0.00 H ATOM 377 HH11 ARG C 31 47.598 5.583 -12.857 1.00 0.00 H ATOM 378 HH22 ARG C 31 45.296 8.096 -13.752 1.00 0.00 H ATOM 379 HH21 ARG C 31 44.485 8.092 -12.144 1.00 0.00 H ATOM 380 H ARG C 31 44.983 3.847 -6.951 1.00 0.00 H ATOM 381 N LEU C 32 48.689 4.988 -5.375 1.00 0.36 N ATOM 382 CA LEU C 32 49.049 5.663 -4.096 1.00 0.38 C ATOM 383 C LEU C 32 50.279 6.545 -4.314 1.00 0.40 C ATOM 384 O LEU C 32 51.259 6.127 -4.899 1.00 0.61 O ATOM 385 CB LEU C 32 49.361 4.609 -3.032 1.00 0.49 C ATOM 386 CG LEU C 32 48.121 3.748 -2.786 1.00 0.63 C ATOM 387 CD1 LEU C 32 48.348 2.348 -3.359 1.00 0.88 C ATOM 388 CD2 LEU C 32 47.863 3.645 -1.281 1.00 0.72 C ATOM 389 HA LEU C 32 48.213 6.279 -3.763 1.00 0.00 H ATOM 390 HB2 LEU C 32 50.180 3.977 -3.376 1.00 0.00 H ATOM 391 HB3 LEU C 32 49.650 5.103 -2.105 1.00 0.00 H ATOM 392 HG LEU C 32 47.260 4.205 -3.274 1.00 0.00 H ATOM 393 HD21 LEU C 32 48.726 3.188 -0.796 1.00 0.00 H ATOM 394 HD22 LEU C 32 47.701 4.642 -0.872 1.00 0.00 H ATOM 395 HD23 LEU C 32 46.979 3.031 -1.106 1.00 0.00 H ATOM 396 HD11 LEU C 32 48.533 2.421 -4.431 1.00 0.00 H ATOM 397 HD12 LEU C 32 49.209 1.892 -2.871 1.00 0.00 H ATOM 398 HD13 LEU C 32 47.463 1.737 -3.182 1.00 0.00 H ATOM 399 H LEU C 32 49.428 4.535 -5.950 1.00 0.00 H ATOM 400 N GLN C 33 50.238 7.762 -3.848 1.00 0.38 N ATOM 401 CA GLN C 33 51.406 8.668 -4.028 1.00 0.45 C ATOM 402 C GLN C 33 52.521 8.256 -3.065 1.00 0.44 C ATOM 403 O GLN C 33 52.360 8.294 -1.861 1.00 0.79 O ATOM 404 CB GLN C 33 50.983 10.109 -3.735 1.00 0.55 C ATOM 405 CG GLN C 33 51.575 11.040 -4.794 1.00 1.16 C ATOM 406 CD GLN C 33 51.445 12.491 -4.327 1.00 1.71 C ATOM 407 OE1 GLN C 33 52.238 13.334 -4.696 1.00 2.31 O ATOM 408 NE2 GLN C 33 50.471 12.819 -3.523 1.00 2.38 N ATOM 409 HA GLN C 33 51.768 8.598 -5.054 1.00 0.00 H ATOM 410 HB2 GLN C 33 49.896 10.180 -3.756 1.00 0.00 H ATOM 411 HB3 GLN C 33 51.346 10.401 -2.750 1.00 0.00 H ATOM 412 HG2 GLN C 33 52.627 10.799 -4.943 1.00 0.00 H ATOM 413 HG3 GLN C 33 51.037 10.911 -5.733 1.00 0.00 H ATOM 414 HE22 GLN C 33 49.792 12.097 -3.207 1.00 0.00 H ATOM 415 HE21 GLN C 33 50.374 13.802 -3.198 1.00 0.00 H ATOM 416 H GLN C 33 49.390 8.100 -3.351 1.00 0.00 H ATOM 417 N ILE C 34 53.650 7.861 -3.584 1.00 0.45 N ATOM 418 CA ILE C 34 54.772 7.444 -2.697 1.00 0.42 C ATOM 419 C ILE C 34 55.384 8.676 -2.026 1.00 0.39 C ATOM 420 O ILE C 34 55.535 9.717 -2.635 1.00 0.51 O ATOM 421 CB ILE C 34 55.842 6.733 -3.528 1.00 0.47 C ATOM 422 CG1 ILE C 34 55.300 5.385 -4.010 1.00 0.61 C ATOM 423 CG2 ILE C 34 57.087 6.502 -2.669 1.00 0.51 C ATOM 424 CD1 ILE C 34 54.862 4.549 -2.805 1.00 0.54 C ATOM 425 HA ILE C 34 54.394 6.766 -1.932 1.00 0.00 H ATOM 426 HB ILE C 34 56.103 7.350 -4.388 1.00 0.00 H ATOM 427 HG12 ILE C 34 54.446 5.551 -4.667 1.00 0.00 H ATOM 428 HG13 ILE C 34 56.080 4.854 -4.556 1.00 0.00 H ATOM 429 HD11 ILE C 34 55.717 4.383 -2.149 1.00 0.00 H ATOM 430 HD12 ILE C 34 54.082 5.080 -2.260 1.00 0.00 H ATOM 431 HD13 ILE C 34 54.477 3.590 -3.151 1.00 0.00 H ATOM 432 HG21 ILE C 34 57.472 7.462 -2.325 1.00 0.00 H ATOM 433 HG22 ILE C 34 56.825 5.885 -1.810 1.00 0.00 H ATOM 434 HG23 ILE C 34 57.848 5.995 -3.263 1.00 0.00 H ATOM 435 H ILE C 34 53.767 7.837 -4.617 1.00 0.00 H ATOM 436 N VAL C 35 55.740 8.565 -0.775 1.00 0.35 N ATOM 437 CA VAL C 35 56.345 9.727 -0.064 1.00 0.37 C ATOM 438 C VAL C 35 57.801 9.411 0.275 1.00 0.42 C ATOM 439 O VAL C 35 58.718 9.910 -0.347 1.00 0.51 O ATOM 440 CB VAL C 35 55.569 9.999 1.227 1.00 0.38 C ATOM 441 CG1 VAL C 35 56.083 11.289 1.869 1.00 0.48 C ATOM 442 CG2 VAL C 35 54.081 10.150 0.904 1.00 0.41 C ATOM 443 HA VAL C 35 56.301 10.608 -0.705 1.00 0.00 H ATOM 444 HB VAL C 35 55.710 9.168 1.918 1.00 0.00 H ATOM 445 HG11 VAL C 35 57.143 11.182 2.097 1.00 0.00 H ATOM 446 HG12 VAL C 35 55.941 12.119 1.177 1.00 0.00 H ATOM 447 HG13 VAL C 35 55.530 11.481 2.788 1.00 0.00 H ATOM 448 HG21 VAL C 35 53.943 10.982 0.214 1.00 0.00 H ATOM 449 HG22 VAL C 35 53.715 9.231 0.445 1.00 0.00 H ATOM 450 HG23 VAL C 35 53.529 10.344 1.824 1.00 0.00 H ATOM 451 H VAL C 35 55.601 7.664 -0.274 1.00 0.00 H ATOM 452 N ASN C 36 58.019 8.583 1.256 1.00 0.45 N ATOM 453 CA ASN C 36 59.412 8.226 1.639 1.00 0.54 C ATOM 454 C ASN C 36 59.655 6.750 1.323 1.00 0.47 C ATOM 455 O ASN C 36 59.035 5.874 1.894 1.00 0.43 O ATOM 456 CB ASN C 36 59.609 8.467 3.137 1.00 0.66 C ATOM 457 CG ASN C 36 60.915 9.230 3.364 1.00 1.19 C ATOM 458 OD1 ASN C 36 61.792 9.219 2.523 1.00 1.80 O ATOM 459 ND2 ASN C 36 61.083 9.896 4.473 1.00 1.86 N ATOM 460 HA ASN C 36 60.116 8.843 1.080 1.00 0.00 H ATOM 461 HB2 ASN C 36 58.774 9.052 3.524 1.00 0.00 H ATOM 462 HB3 ASN C 36 59.652 7.510 3.657 1.00 0.00 H ATOM 463 HD22 ASN C 36 60.332 9.905 5.193 1.00 0.00 H ATOM 464 HD21 ASN C 36 61.968 10.418 4.637 1.00 0.00 H ATOM 465 H ASN C 36 57.217 8.170 1.774 1.00 0.00 H ATOM 466 N ASN C 37 60.548 6.468 0.414 1.00 0.56 N ATOM 467 CA ASN C 37 60.826 5.049 0.059 1.00 0.57 C ATOM 468 C ASN C 37 62.330 4.782 0.143 1.00 0.72 C ATOM 469 O ASN C 37 62.910 4.165 -0.729 1.00 1.22 O ATOM 470 CB ASN C 37 60.338 4.775 -1.365 1.00 0.74 C ATOM 471 CG ASN C 37 60.980 5.778 -2.325 1.00 1.26 C ATOM 472 OD1 ASN C 37 61.932 6.448 -1.975 1.00 1.96 O ATOM 473 ND2 ASN C 37 60.497 5.912 -3.530 1.00 1.97 N ATOM 474 HA ASN C 37 60.304 4.393 0.756 1.00 0.00 H ATOM 475 HB2 ASN C 37 60.617 3.762 -1.657 1.00 0.00 H ATOM 476 HB3 ASN C 37 59.253 4.877 -1.404 1.00 0.00 H ATOM 477 HD22 ASN C 37 59.683 5.339 -3.830 1.00 0.00 H ATOM 478 HD21 ASN C 37 60.927 6.592 -4.190 1.00 0.00 H ATOM 479 H ASN C 37 61.065 7.234 -0.062 1.00 0.00 H ATOM 480 N THR C 38 62.966 5.240 1.185 1.00 0.92 N ATOM 481 CA THR C 38 64.432 5.010 1.323 1.00 1.09 C ATOM 482 C THR C 38 64.736 4.499 2.732 1.00 1.37 C ATOM 483 O THR C 38 65.874 4.464 3.158 1.00 1.86 O ATOM 484 CB THR C 38 65.179 6.324 1.084 1.00 1.28 C ATOM 485 OG1 THR C 38 66.579 6.077 1.086 1.00 1.48 O ATOM 486 CG2 THR C 38 64.832 7.319 2.193 1.00 1.46 C ATOM 487 HA THR C 38 64.755 4.270 0.590 1.00 0.00 H ATOM 488 HB THR C 38 64.885 6.741 0.121 1.00 0.00 H ATOM 489 HG1 THR C 38 66.845 5.699 1.961 1.00 0.00 H ATOM 490 HG23 THR C 38 63.758 7.506 2.189 1.00 0.00 H ATOM 491 HG21 THR C 38 65.126 6.904 3.157 1.00 0.00 H ATOM 492 HG22 THR C 38 65.366 8.254 2.021 1.00 0.00 H ATOM 493 H THR C 38 62.450 5.766 1.920 1.00 0.00 H ATOM 494 N GLU C 39 63.729 4.101 3.460 1.00 1.46 N ATOM 495 CA GLU C 39 63.961 3.593 4.841 1.00 1.87 C ATOM 496 C GLU C 39 64.193 2.083 4.796 1.00 1.30 C ATOM 497 O GLU C 39 65.171 1.577 5.311 1.00 1.76 O ATOM 498 CB GLU C 39 62.738 3.894 5.708 1.00 2.52 C ATOM 499 CG GLU C 39 63.082 3.653 7.179 1.00 3.45 C ATOM 500 CD GLU C 39 63.794 4.882 7.746 1.00 4.04 C ATOM 501 OE1 GLU C 39 63.109 5.825 8.107 1.00 4.51 O ATOM 502 OE2 GLU C 39 65.012 4.860 7.809 1.00 4.47 O ATOM 503 HA GLU C 39 64.837 4.084 5.265 1.00 0.00 H ATOM 504 HB2 GLU C 39 62.442 4.934 5.570 1.00 0.00 H ATOM 505 HB3 GLU C 39 61.916 3.241 5.415 1.00 0.00 H ATOM 506 HG2 GLU C 39 62.166 3.472 7.741 1.00 0.00 H ATOM 507 HG3 GLU C 39 63.735 2.784 7.262 1.00 0.00 H ATOM 508 H GLU C 39 62.763 4.138 3.076 1.00 0.00 H ATOM 509 N GLY C 40 63.300 1.361 4.183 1.00 0.85 N ATOM 510 CA GLY C 40 63.462 -0.118 4.101 1.00 0.58 C ATOM 511 C GLY C 40 62.407 -0.697 3.157 1.00 0.49 C ATOM 512 O GLY C 40 62.196 -0.203 2.067 1.00 0.58 O ATOM 513 HA3 GLY C 40 63.339 -0.552 5.093 1.00 0.00 H ATOM 514 HA2 GLY C 40 64.457 -0.354 3.723 1.00 0.00 H ATOM 515 H GLY C 40 62.472 1.817 3.750 1.00 0.00 H ATOM 516 N ASP C 41 61.743 -1.742 3.567 1.00 0.39 N ATOM 517 CA ASP C 41 60.702 -2.354 2.694 1.00 0.35 C ATOM 518 C ASP C 41 59.348 -1.706 2.981 1.00 0.32 C ATOM 519 O ASP C 41 58.312 -2.225 2.615 1.00 0.52 O ATOM 520 CB ASP C 41 60.616 -3.854 2.982 1.00 0.40 C ATOM 521 CG ASP C 41 61.945 -4.521 2.622 1.00 0.80 C ATOM 522 OD1 ASP C 41 62.913 -4.285 3.326 1.00 1.51 O ATOM 523 OD2 ASP C 41 61.971 -5.256 1.649 1.00 1.42 O ATOM 524 HA ASP C 41 60.967 -2.196 1.649 1.00 0.00 H ATOM 525 HB2 ASP C 41 60.406 -4.009 4.040 1.00 0.00 H ATOM 526 HB3 ASP C 41 59.816 -4.293 2.386 1.00 0.00 H ATOM 527 H ASP C 41 61.940 -2.148 4.504 1.00 0.00 H ATOM 528 N TRP C 42 59.343 -0.579 3.637 1.00 0.33 N ATOM 529 CA TRP C 42 58.050 0.092 3.946 1.00 0.31 C ATOM 530 C TRP C 42 58.154 1.585 3.628 1.00 0.31 C ATOM 531 O TRP C 42 58.980 2.292 4.170 1.00 0.40 O ATOM 532 CB TRP C 42 57.721 -0.104 5.427 1.00 0.32 C ATOM 533 CG TRP C 42 57.255 -1.509 5.642 1.00 0.29 C ATOM 534 CD1 TRP C 42 58.039 -2.536 6.046 1.00 0.30 C ATOM 535 CD2 TRP C 42 55.918 -2.059 5.466 1.00 0.29 C ATOM 536 NE1 TRP C 42 57.266 -3.681 6.132 1.00 0.30 N ATOM 537 CE2 TRP C 42 55.952 -3.438 5.784 1.00 0.29 C ATOM 538 CE3 TRP C 42 54.691 -1.501 5.066 1.00 0.33 C ATOM 539 CZ2 TRP C 42 54.807 -4.234 5.707 1.00 0.32 C ATOM 540 CZ3 TRP C 42 53.538 -2.299 4.988 1.00 0.36 C ATOM 541 CH2 TRP C 42 53.597 -3.662 5.307 1.00 0.35 C ATOM 542 HA TRP C 42 57.257 -0.344 3.338 1.00 0.00 H ATOM 543 HB2 TRP C 42 58.612 0.081 6.027 1.00 0.00 H ATOM 544 HB3 TRP C 42 56.935 0.591 5.722 1.00 0.00 H ATOM 545 HE1 TRP C 42 57.630 -4.611 6.423 1.00 0.00 H ATOM 546 HD1 TRP C 42 59.104 -2.472 6.267 1.00 0.00 H ATOM 547 HZ2 TRP C 42 54.857 -5.294 5.957 1.00 0.00 H ATOM 548 HH2 TRP C 42 52.699 -4.276 5.243 1.00 0.00 H ATOM 549 HZ3 TRP C 42 52.592 -1.856 4.678 1.00 0.00 H ATOM 550 HE3 TRP C 42 54.634 -0.442 4.815 1.00 0.00 H ATOM 551 H TRP C 42 60.239 -0.150 3.944 1.00 0.00 H ATOM 552 N TRP C 43 57.321 2.065 2.746 1.00 0.30 N ATOM 553 CA TRP C 43 57.362 3.509 2.377 1.00 0.31 C ATOM 554 C TRP C 43 56.066 4.183 2.825 1.00 0.31 C ATOM 555 O TRP C 43 55.050 3.540 2.993 1.00 0.31 O ATOM 556 CB TRP C 43 57.491 3.633 0.860 1.00 0.33 C ATOM 557 CG TRP C 43 58.498 2.652 0.359 1.00 0.33 C ATOM 558 CD1 TRP C 43 59.581 2.216 1.045 1.00 0.38 C ATOM 559 CD2 TRP C 43 58.531 1.981 -0.926 1.00 0.34 C ATOM 560 NE1 TRP C 43 60.280 1.323 0.251 1.00 0.42 N ATOM 561 CE2 TRP C 43 59.668 1.143 -0.974 1.00 0.39 C ATOM 562 CE3 TRP C 43 57.687 2.022 -2.044 1.00 0.34 C ATOM 563 CZ2 TRP C 43 59.959 0.371 -2.099 1.00 0.44 C ATOM 564 CZ3 TRP C 43 57.972 1.247 -3.179 1.00 0.38 C ATOM 565 CH2 TRP C 43 59.107 0.422 -3.207 1.00 0.42 C ATOM 566 HA TRP C 43 58.212 3.988 2.863 1.00 0.00 H ATOM 567 HB2 TRP C 43 56.526 3.431 0.396 1.00 0.00 H ATOM 568 HB3 TRP C 43 57.811 4.643 0.605 1.00 0.00 H ATOM 569 HE1 TRP C 43 61.158 0.846 0.541 1.00 0.00 H ATOM 570 HD1 TRP C 43 59.857 2.518 2.055 1.00 0.00 H ATOM 571 HZ2 TRP C 43 60.843 -0.267 -2.114 1.00 0.00 H ATOM 572 HH2 TRP C 43 59.324 -0.178 -4.091 1.00 0.00 H ATOM 573 HZ3 TRP C 43 57.309 1.286 -4.043 1.00 0.00 H ATOM 574 HE3 TRP C 43 56.803 2.660 -2.032 1.00 0.00 H ATOM 575 H TRP C 43 56.624 1.437 2.298 1.00 0.00 H ATOM 576 N LEU C 44 56.086 5.476 3.010 1.00 0.32 N ATOM 577 CA LEU C 44 54.843 6.181 3.435 1.00 0.33 C ATOM 578 C LEU C 44 54.080 6.645 2.194 1.00 0.35 C ATOM 579 O LEU C 44 54.521 7.516 1.473 1.00 0.53 O ATOM 580 CB LEU C 44 55.198 7.382 4.316 1.00 0.36 C ATOM 581 CG LEU C 44 53.913 8.014 4.854 1.00 0.40 C ATOM 582 CD1 LEU C 44 53.265 7.070 5.869 1.00 0.87 C ATOM 583 CD2 LEU C 44 54.247 9.341 5.538 1.00 0.84 C ATOM 584 HA LEU C 44 54.216 5.501 4.012 1.00 0.00 H ATOM 585 HB2 LEU C 44 55.818 7.052 5.149 1.00 0.00 H ATOM 586 HB3 LEU C 44 55.746 8.117 3.726 1.00 0.00 H ATOM 587 HG LEU C 44 53.223 8.191 4.029 1.00 0.00 H ATOM 588 HD21 LEU C 44 54.937 9.160 6.362 1.00 0.00 H ATOM 589 HD22 LEU C 44 54.710 10.014 4.816 1.00 0.00 H ATOM 590 HD23 LEU C 44 53.331 9.791 5.921 1.00 0.00 H ATOM 591 HD11 LEU C 44 53.029 6.123 5.383 1.00 0.00 H ATOM 592 HD12 LEU C 44 53.957 6.895 6.693 1.00 0.00 H ATOM 593 HD13 LEU C 44 52.350 7.522 6.251 1.00 0.00 H ATOM 594 H LEU C 44 56.965 6.011 2.861 1.00 0.00 H ATOM 595 N ALA C 45 52.941 6.062 1.928 1.00 0.34 N ATOM 596 CA ALA C 45 52.165 6.467 0.721 1.00 0.36 C ATOM 597 C ALA C 45 51.026 7.407 1.121 1.00 0.32 C ATOM 598 O ALA C 45 50.739 7.596 2.286 1.00 0.42 O ATOM 599 CB ALA C 45 51.581 5.223 0.050 1.00 0.50 C ATOM 600 HA ALA C 45 52.829 6.983 0.028 1.00 0.00 H ATOM 601 HB1 ALA C 45 52.391 4.556 -0.245 1.00 0.00 H ATOM 602 HB2 ALA C 45 50.923 4.709 0.751 1.00 0.00 H ATOM 603 HB3 ALA C 45 51.014 5.520 -0.832 1.00 0.00 H ATOM 604 H ALA C 45 52.577 5.318 2.556 1.00 0.00 H ATOM 605 N HIS C 46 50.373 7.995 0.155 1.00 0.34 N ATOM 606 CA HIS C 46 49.249 8.922 0.462 1.00 0.39 C ATOM 607 C HIS C 46 48.090 8.640 -0.499 1.00 0.49 C ATOM 608 O HIS C 46 48.179 8.894 -1.684 1.00 0.57 O ATOM 609 CB HIS C 46 49.722 10.370 0.292 1.00 0.53 C ATOM 610 CG HIS C 46 48.533 11.291 0.244 1.00 0.69 C ATOM 611 ND1 HIS C 46 47.807 11.623 1.377 1.00 0.96 N ATOM 612 CD2 HIS C 46 47.930 11.956 -0.795 1.00 0.96 C ATOM 613 CE1 HIS C 46 46.819 12.453 0.996 1.00 1.06 C ATOM 614 NE2 HIS C 46 46.848 12.689 -0.318 1.00 1.05 N ATOM 615 HA HIS C 46 48.915 8.772 1.489 1.00 0.00 H ATOM 616 HB2 HIS C 46 50.359 10.644 1.133 1.00 0.00 H ATOM 617 HB3 HIS C 46 50.288 10.460 -0.635 1.00 0.00 H ATOM 618 HD2 HIS C 46 48.251 11.916 -1.836 1.00 0.00 H ATOM 619 HE1 HIS C 46 46.084 12.881 1.677 1.00 0.00 H ATOM 620 H HIS C 46 50.639 7.815 -0.834 1.00 0.00 H ATOM 621 N SER C 47 47.005 8.116 0.001 1.00 0.61 N ATOM 622 CA SER C 47 45.845 7.818 -0.885 1.00 0.79 C ATOM 623 C SER C 47 45.258 9.126 -1.419 1.00 0.83 C ATOM 624 O SER C 47 44.938 10.026 -0.668 1.00 0.89 O ATOM 625 CB SER C 47 44.776 7.067 -0.091 1.00 0.96 C ATOM 626 OG SER C 47 45.303 5.819 0.341 1.00 1.10 O ATOM 627 HA SER C 47 46.177 7.202 -1.721 1.00 0.00 H ATOM 628 HB2 SER C 47 43.905 6.896 -0.724 1.00 0.00 H ATOM 629 HB3 SER C 47 44.483 7.659 0.776 1.00 0.00 H ATOM 630 HG SER C 47 44.612 5.331 0.856 1.00 0.00 H ATOM 631 H SER C 47 46.950 7.906 1.018 1.00 0.00 H ATOM 632 N LEU C 48 45.111 9.238 -2.711 1.00 1.06 N ATOM 633 CA LEU C 48 44.543 10.488 -3.291 1.00 1.23 C ATOM 634 C LEU C 48 43.021 10.359 -3.386 1.00 1.38 C ATOM 635 O LEU C 48 42.323 11.317 -3.653 1.00 1.54 O ATOM 636 CB LEU C 48 45.123 10.711 -4.690 1.00 1.51 C ATOM 637 CG LEU C 48 46.646 10.820 -4.600 1.00 1.39 C ATOM 638 CD1 LEU C 48 47.259 10.561 -5.978 1.00 1.75 C ATOM 639 CD2 LEU C 48 47.029 12.224 -4.128 1.00 1.47 C ATOM 640 HA LEU C 48 44.798 11.334 -2.652 1.00 0.00 H ATOM 641 HB2 LEU C 48 44.856 9.872 -5.332 1.00 0.00 H ATOM 642 HB3 LEU C 48 44.717 11.631 -5.109 1.00 0.00 H ATOM 643 HG LEU C 48 47.022 10.082 -3.891 1.00 0.00 H ATOM 644 HD21 LEU C 48 46.652 12.960 -4.838 1.00 0.00 H ATOM 645 HD22 LEU C 48 46.592 12.408 -3.146 1.00 0.00 H ATOM 646 HD23 LEU C 48 48.114 12.301 -4.064 1.00 0.00 H ATOM 647 HD11 LEU C 48 46.985 9.561 -6.314 1.00 0.00 H ATOM 648 HD12 LEU C 48 46.883 11.299 -6.686 1.00 0.00 H ATOM 649 HD13 LEU C 48 48.344 10.639 -5.912 1.00 0.00 H ATOM 650 H LEU C 48 45.390 8.455 -3.336 1.00 0.00 H ATOM 651 N THR C 49 42.502 9.182 -3.168 1.00 1.49 N ATOM 652 CA THR C 49 41.026 8.992 -3.245 1.00 1.75 C ATOM 653 C THR C 49 40.349 9.824 -2.154 1.00 1.72 C ATOM 654 O THR C 49 39.543 10.690 -2.430 1.00 1.88 O ATOM 655 CB THR C 49 40.692 7.513 -3.041 1.00 1.99 C ATOM 656 OG1 THR C 49 41.578 6.718 -3.816 1.00 2.06 O ATOM 657 CG2 THR C 49 39.250 7.248 -3.477 1.00 2.48 C ATOM 658 HA THR C 49 40.667 9.314 -4.223 1.00 0.00 H ATOM 659 HB THR C 49 40.802 7.257 -1.987 1.00 0.00 H ATOM 660 HG1 THR C 49 41.362 5.761 -3.684 1.00 0.00 H ATOM 661 HG23 THR C 49 38.573 7.860 -2.880 1.00 0.00 H ATOM 662 HG21 THR C 49 39.138 7.502 -4.531 1.00 0.00 H ATOM 663 HG22 THR C 49 39.015 6.194 -3.329 1.00 0.00 H ATOM 664 H THR C 49 43.119 8.376 -2.940 1.00 0.00 H ATOM 665 N THR C 50 40.669 9.568 -0.915 1.00 1.70 N ATOM 666 CA THR C 50 40.044 10.344 0.192 1.00 1.84 C ATOM 667 C THR C 50 41.023 11.414 0.680 1.00 1.58 C ATOM 668 O THR C 50 40.647 12.538 0.946 1.00 1.88 O ATOM 669 CB THR C 50 39.703 9.400 1.347 1.00 2.12 C ATOM 670 OG1 THR C 50 39.020 10.124 2.361 1.00 2.59 O ATOM 671 CG2 THR C 50 40.990 8.806 1.919 1.00 2.50 C ATOM 672 HA THR C 50 39.133 10.822 -0.168 1.00 0.00 H ATOM 673 HB THR C 50 39.065 8.594 0.983 1.00 0.00 H ATOM 674 HG1 THR C 50 38.799 9.514 3.109 1.00 0.00 H ATOM 675 HG23 THR C 50 41.511 8.252 1.138 1.00 0.00 H ATOM 676 HG21 THR C 50 41.629 9.610 2.284 1.00 0.00 H ATOM 677 HG22 THR C 50 40.744 8.134 2.741 1.00 0.00 H ATOM 678 H THR C 50 41.361 8.822 -0.700 1.00 0.00 H ATOM 679 N GLY C 51 42.277 11.074 0.798 1.00 1.33 N ATOM 680 CA GLY C 51 43.279 12.072 1.267 1.00 1.21 C ATOM 681 C GLY C 51 43.840 11.638 2.623 1.00 1.21 C ATOM 682 O GLY C 51 43.812 12.381 3.584 1.00 1.91 O ATOM 683 HA3 GLY C 51 42.801 13.047 1.367 1.00 0.00 H ATOM 684 HA2 GLY C 51 44.091 12.139 0.543 1.00 0.00 H ATOM 685 H GLY C 51 42.577 10.106 0.565 1.00 0.00 H ATOM 686 N GLN C 52 44.350 10.441 2.707 1.00 0.89 N ATOM 687 CA GLN C 52 44.915 9.959 3.999 1.00 0.94 C ATOM 688 C GLN C 52 46.344 9.466 3.774 1.00 0.76 C ATOM 689 O GLN C 52 46.794 9.329 2.654 1.00 0.81 O ATOM 690 CB GLN C 52 44.058 8.810 4.536 1.00 1.20 C ATOM 691 CG GLN C 52 42.768 9.372 5.137 1.00 1.54 C ATOM 692 CD GLN C 52 42.335 8.501 6.318 1.00 2.20 C ATOM 693 OE1 GLN C 52 42.372 8.934 7.453 1.00 2.74 O ATOM 694 NE2 GLN C 52 41.923 7.283 6.098 1.00 2.88 N ATOM 695 HA GLN C 52 44.919 10.775 4.721 1.00 0.00 H ATOM 696 HB2 GLN C 52 43.813 8.128 3.722 1.00 0.00 H ATOM 697 HB3 GLN C 52 44.612 8.271 5.305 1.00 0.00 H ATOM 698 HG2 GLN C 52 42.941 10.392 5.481 1.00 0.00 H ATOM 699 HG3 GLN C 52 41.984 9.374 4.379 1.00 0.00 H ATOM 700 HE22 GLN C 52 41.891 6.912 5.127 1.00 0.00 H ATOM 701 HE21 GLN C 52 41.626 6.683 6.894 1.00 0.00 H ATOM 702 H GLN C 52 44.363 9.822 1.871 1.00 0.00 H ATOM 703 N THR C 53 47.063 9.197 4.829 1.00 0.68 N ATOM 704 CA THR C 53 48.462 8.713 4.667 1.00 0.57 C ATOM 705 C THR C 53 48.626 7.370 5.378 1.00 0.46 C ATOM 706 O THR C 53 47.994 7.103 6.380 1.00 0.57 O ATOM 707 CB THR C 53 49.434 9.732 5.272 1.00 0.71 C ATOM 708 OG1 THR C 53 49.536 10.857 4.410 1.00 0.95 O ATOM 709 CG2 THR C 53 50.812 9.088 5.440 1.00 0.71 C ATOM 710 HA THR C 53 48.679 8.591 3.606 1.00 0.00 H ATOM 711 HB THR C 53 49.065 10.053 6.246 1.00 0.00 H ATOM 712 HG1 THR C 53 50.164 11.515 4.801 1.00 0.00 H ATOM 713 HG23 THR C 53 50.730 8.226 6.102 1.00 0.00 H ATOM 714 HG21 THR C 53 51.183 8.767 4.467 1.00 0.00 H ATOM 715 HG22 THR C 53 51.501 9.814 5.871 1.00 0.00 H ATOM 716 H THR C 53 46.660 9.320 5.780 1.00 0.00 H ATOM 717 N GLY C 54 49.478 6.525 4.867 1.00 0.36 N ATOM 718 CA GLY C 54 49.690 5.202 5.513 1.00 0.40 C ATOM 719 C GLY C 54 50.820 4.457 4.801 1.00 0.34 C ATOM 720 O GLY C 54 50.823 4.314 3.594 1.00 0.35 O ATOM 721 HA3 GLY C 54 48.773 4.616 5.450 1.00 0.00 H ATOM 722 HA2 GLY C 54 49.955 5.348 6.560 1.00 0.00 H ATOM 723 H GLY C 54 50.009 6.776 4.009 1.00 0.00 H ATOM 724 N TYR C 55 51.776 3.975 5.543 1.00 0.34 N ATOM 725 CA TYR C 55 52.898 3.230 4.922 1.00 0.33 C ATOM 726 C TYR C 55 52.343 2.156 3.990 1.00 0.29 C ATOM 727 O TYR C 55 51.149 1.942 3.909 1.00 0.29 O ATOM 728 CB TYR C 55 53.736 2.574 6.017 1.00 0.39 C ATOM 729 CG TYR C 55 54.792 3.544 6.484 1.00 0.47 C ATOM 730 CD1 TYR C 55 54.416 4.713 7.153 1.00 1.27 C ATOM 731 CD2 TYR C 55 56.146 3.277 6.249 1.00 1.40 C ATOM 732 CE1 TYR C 55 55.391 5.616 7.587 1.00 1.39 C ATOM 733 CE2 TYR C 55 57.123 4.181 6.682 1.00 1.61 C ATOM 734 CZ TYR C 55 56.745 5.351 7.352 1.00 1.08 C ATOM 735 OH TYR C 55 57.708 6.243 7.780 1.00 1.43 O ATOM 736 HA TYR C 55 53.521 3.918 4.350 1.00 0.00 H ATOM 737 HB3 TYR C 55 54.214 1.677 5.623 1.00 0.00 H ATOM 738 HB2 TYR C 55 53.094 2.303 6.855 1.00 0.00 H ATOM 739 HD2 TYR C 55 56.439 2.365 5.729 1.00 0.00 H ATOM 740 HE2 TYR C 55 58.177 3.974 6.498 1.00 0.00 H ATOM 741 HE1 TYR C 55 55.097 6.527 8.109 1.00 0.00 H ATOM 742 HD1 TYR C 55 53.362 4.920 7.336 1.00 0.00 H ATOM 743 HH TYR C 55 57.270 7.008 8.231 1.00 0.00 H ATOM 744 H TYR C 55 51.752 4.113 6.574 1.00 0.00 H ATOM 745 N ILE C 56 53.204 1.481 3.285 1.00 0.28 N ATOM 746 CA ILE C 56 52.742 0.420 2.352 1.00 0.25 C ATOM 747 C ILE C 56 53.902 -0.542 2.084 1.00 0.23 C ATOM 748 O ILE C 56 55.040 -0.124 2.005 1.00 0.24 O ATOM 749 CB ILE C 56 52.298 1.064 1.037 1.00 0.27 C ATOM 750 CG1 ILE C 56 53.356 2.073 0.583 1.00 0.35 C ATOM 751 CG2 ILE C 56 50.966 1.788 1.244 1.00 0.34 C ATOM 752 CD1 ILE C 56 53.769 1.767 -0.857 1.00 0.88 C ATOM 753 HA ILE C 56 51.905 -0.124 2.789 1.00 0.00 H ATOM 754 HB ILE C 56 52.178 0.291 0.278 1.00 0.00 H ATOM 755 HG12 ILE C 56 52.944 3.081 0.637 1.00 0.00 H ATOM 756 HG13 ILE C 56 54.228 2.003 1.234 1.00 0.00 H ATOM 757 HD11 ILE C 56 54.182 0.759 -0.909 1.00 0.00 H ATOM 758 HD12 ILE C 56 52.897 1.838 -1.507 1.00 0.00 H ATOM 759 HD13 ILE C 56 54.522 2.486 -1.178 1.00 0.00 H ATOM 760 HG21 ILE C 56 50.212 1.072 1.570 1.00 0.00 H ATOM 761 HG22 ILE C 56 51.088 2.560 2.003 1.00 0.00 H ATOM 762 HG23 ILE C 56 50.653 2.245 0.305 1.00 0.00 H ATOM 763 H ILE C 56 54.220 1.685 3.375 1.00 0.00 H ATOM 764 N PRO C 57 53.582 -1.802 1.946 1.00 0.21 N ATOM 765 CA PRO C 57 54.588 -2.844 1.677 1.00 0.21 C ATOM 766 C PRO C 57 55.060 -2.756 0.221 1.00 0.20 C ATOM 767 O PRO C 57 54.275 -2.813 -0.704 1.00 0.21 O ATOM 768 CB PRO C 57 53.842 -4.148 1.966 1.00 0.21 C ATOM 769 CG PRO C 57 52.335 -3.826 1.850 1.00 0.22 C ATOM 770 CD PRO C 57 52.195 -2.303 2.038 1.00 0.22 C ATOM 771 HA PRO C 57 55.490 -2.752 2.282 1.00 0.00 H ATOM 772 HD3 PRO C 57 51.574 -1.871 1.253 1.00 0.00 H ATOM 773 HD2 PRO C 57 51.763 -2.071 3.011 1.00 0.00 H ATOM 774 HG3 PRO C 57 51.777 -4.354 2.623 1.00 0.00 H ATOM 775 HG2 PRO C 57 51.962 -4.120 0.869 1.00 0.00 H ATOM 776 HB2 PRO C 57 54.121 -4.911 1.240 1.00 0.00 H ATOM 777 HB3 PRO C 57 54.076 -4.501 2.970 1.00 0.00 H ATOM 778 N SER C 58 56.341 -2.588 0.023 1.00 0.22 N ATOM 779 CA SER C 58 56.891 -2.455 -1.360 1.00 0.23 C ATOM 780 C SER C 58 56.627 -3.714 -2.192 1.00 0.24 C ATOM 781 O SER C 58 56.547 -3.654 -3.403 1.00 0.27 O ATOM 782 CB SER C 58 58.399 -2.223 -1.277 1.00 0.29 C ATOM 783 OG SER C 58 59.071 -3.474 -1.345 1.00 0.67 O ATOM 784 HA SER C 58 56.396 -1.613 -1.844 1.00 0.00 H ATOM 785 HB2 SER C 58 58.641 -1.730 -0.335 1.00 0.00 H ATOM 786 HB3 SER C 58 58.717 -1.593 -2.108 1.00 0.00 H ATOM 787 HG SER C 58 60.048 -3.326 -1.291 1.00 0.00 H ATOM 788 H SER C 58 56.986 -2.546 0.838 1.00 0.00 H ATOM 789 N ASN C 59 56.511 -4.854 -1.572 1.00 0.27 N ATOM 790 CA ASN C 59 56.281 -6.096 -2.355 1.00 0.32 C ATOM 791 C ASN C 59 54.856 -6.113 -2.920 1.00 0.31 C ATOM 792 O ASN C 59 54.579 -6.791 -3.887 1.00 0.38 O ATOM 793 CB ASN C 59 56.491 -7.301 -1.442 1.00 0.37 C ATOM 794 CG ASN C 59 55.375 -7.349 -0.403 1.00 0.34 C ATOM 795 OD1 ASN C 59 54.796 -6.334 -0.079 1.00 0.35 O ATOM 796 ND2 ASN C 59 55.047 -8.491 0.134 1.00 0.39 N ATOM 797 HA ASN C 59 56.983 -6.135 -3.188 1.00 0.00 H ATOM 798 HB2 ASN C 59 56.475 -8.215 -2.036 1.00 0.00 H ATOM 799 HB3 ASN C 59 57.454 -7.213 -0.939 1.00 0.00 H ATOM 800 HD22 ASN C 59 55.546 -9.360 -0.146 1.00 0.00 H ATOM 801 HD21 ASN C 59 54.287 -8.533 0.842 1.00 0.00 H ATOM 802 H ASN C 59 56.579 -4.895 -0.535 1.00 0.00 H ATOM 803 N TYR C 60 53.952 -5.372 -2.335 1.00 0.28 N ATOM 804 CA TYR C 60 52.553 -5.360 -2.857 1.00 0.29 C ATOM 805 C TYR C 60 52.363 -4.156 -3.781 1.00 0.28 C ATOM 806 O TYR C 60 51.289 -3.935 -4.309 1.00 0.35 O ATOM 807 CB TYR C 60 51.567 -5.257 -1.691 1.00 0.28 C ATOM 808 CG TYR C 60 51.112 -6.636 -1.279 1.00 0.28 C ATOM 809 CD1 TYR C 60 52.057 -7.612 -0.945 1.00 1.10 C ATOM 810 CD2 TYR C 60 49.744 -6.939 -1.225 1.00 1.19 C ATOM 811 CE1 TYR C 60 51.638 -8.889 -0.557 1.00 1.10 C ATOM 812 CE2 TYR C 60 49.325 -8.218 -0.837 1.00 1.22 C ATOM 813 CZ TYR C 60 50.272 -9.193 -0.503 1.00 0.38 C ATOM 814 OH TYR C 60 49.860 -10.452 -0.120 1.00 0.45 O ATOM 815 HA TYR C 60 52.370 -6.282 -3.409 1.00 0.00 H ATOM 816 HB3 TYR C 60 50.703 -4.668 -1.999 1.00 0.00 H ATOM 817 HB2 TYR C 60 52.055 -4.770 -0.847 1.00 0.00 H ATOM 818 HD2 TYR C 60 49.007 -6.179 -1.485 1.00 0.00 H ATOM 819 HE2 TYR C 60 48.262 -8.454 -0.795 1.00 0.00 H ATOM 820 HE1 TYR C 60 52.375 -9.648 -0.296 1.00 0.00 H ATOM 821 HD1 TYR C 60 53.121 -7.377 -0.987 1.00 0.00 H ATOM 822 HH TYR C 60 50.652 -11.011 0.079 1.00 0.00 H ATOM 823 H TYR C 60 54.206 -4.793 -1.509 1.00 0.00 H ATOM 824 N VAL C 61 53.396 -3.377 -3.980 1.00 0.24 N ATOM 825 CA VAL C 61 53.278 -2.188 -4.870 1.00 0.25 C ATOM 826 C VAL C 61 54.385 -2.222 -5.920 1.00 0.33 C ATOM 827 O VAL C 61 55.326 -2.985 -5.827 1.00 0.50 O ATOM 828 CB VAL C 61 53.403 -0.907 -4.044 1.00 0.24 C ATOM 829 CG1 VAL C 61 54.688 -0.946 -3.218 1.00 0.49 C ATOM 830 CG2 VAL C 61 53.446 0.306 -4.969 1.00 0.47 C ATOM 831 HA VAL C 61 52.306 -2.207 -5.363 1.00 0.00 H ATOM 832 HB VAL C 61 52.541 -0.832 -3.381 1.00 0.00 H ATOM 833 HG11 VAL C 61 54.662 -1.806 -2.549 1.00 0.00 H ATOM 834 HG12 VAL C 61 55.545 -1.030 -3.886 1.00 0.00 H ATOM 835 HG13 VAL C 61 54.770 -0.030 -2.632 1.00 0.00 H ATOM 836 HG21 VAL C 61 54.304 0.223 -5.636 1.00 0.00 H ATOM 837 HG22 VAL C 61 52.529 0.345 -5.558 1.00 0.00 H ATOM 838 HG23 VAL C 61 53.535 1.214 -4.372 1.00 0.00 H ATOM 839 H VAL C 61 54.302 -3.589 -3.515 1.00 0.00 H ATOM 840 N ALA C 62 54.275 -1.396 -6.918 1.00 0.33 N ATOM 841 CA ALA C 62 55.314 -1.366 -7.986 1.00 0.42 C ATOM 842 C ALA C 62 55.375 0.037 -8.598 1.00 0.45 C ATOM 843 O ALA C 62 54.388 0.744 -8.622 1.00 0.51 O ATOM 844 CB ALA C 62 54.956 -2.382 -9.073 1.00 0.59 C ATOM 845 HA ALA C 62 56.284 -1.618 -7.558 1.00 0.00 H ATOM 846 HB1 ALA C 62 54.912 -3.379 -8.636 1.00 0.00 H ATOM 847 HB2 ALA C 62 53.986 -2.128 -9.501 1.00 0.00 H ATOM 848 HB3 ALA C 62 55.716 -2.360 -9.854 1.00 0.00 H ATOM 849 H ALA C 62 53.459 -0.754 -6.971 1.00 0.00 H ATOM 850 N PRO C 63 56.539 0.396 -9.077 1.00 0.54 N ATOM 851 CA PRO C 63 56.770 1.711 -9.701 1.00 0.64 C ATOM 852 C PRO C 63 56.218 1.730 -11.129 1.00 0.73 C ATOM 853 O PRO C 63 56.679 1.010 -11.992 1.00 0.90 O ATOM 854 CB PRO C 63 58.296 1.843 -9.704 1.00 0.77 C ATOM 855 CG PRO C 63 58.858 0.404 -9.618 1.00 0.79 C ATOM 856 CD PRO C 63 57.732 -0.476 -9.042 1.00 0.64 C ATOM 857 HA PRO C 63 56.277 2.528 -9.175 1.00 0.00 H ATOM 858 HD3 PRO C 63 57.581 -1.363 -9.657 1.00 0.00 H ATOM 859 HD2 PRO C 63 57.961 -0.778 -8.020 1.00 0.00 H ATOM 860 HG3 PRO C 63 59.728 0.379 -8.962 1.00 0.00 H ATOM 861 HG2 PRO C 63 59.142 0.051 -10.610 1.00 0.00 H ATOM 862 HB2 PRO C 63 58.631 2.325 -10.622 1.00 0.00 H ATOM 863 HB3 PRO C 63 58.626 2.429 -8.846 1.00 0.00 H ATOM 864 N SER C 64 55.234 2.549 -11.384 1.00 0.89 N ATOM 865 CA SER C 64 54.656 2.612 -12.756 1.00 1.05 C ATOM 866 C SER C 64 55.018 3.952 -13.401 1.00 1.74 C ATOM 867 O SER C 64 54.875 4.965 -12.736 1.00 2.40 O ATOM 868 CB SER C 64 53.135 2.481 -12.673 1.00 1.89 C ATOM 869 OG SER C 64 52.566 2.815 -13.932 1.00 2.50 O ATOM 870 HA SER C 64 55.059 1.798 -13.359 1.00 0.00 H ATOM 871 OXT SER C 64 55.431 3.942 -14.548 1.00 2.39 O ATOM 872 HB2 SER C 64 52.752 3.157 -11.909 1.00 0.00 H ATOM 873 HB3 SER C 64 52.871 1.456 -12.414 1.00 0.00 H ATOM 874 HG SER C 64 51.581 2.731 -13.880 1.00 0.00 H ATOM 875 H SER C 64 54.854 3.157 -10.631 1.00 0.00 H TER 876 SER C 64 HETATM 877 C ACE A 1 57.985 3.924 11.537 1.00 0.18 C HETATM 878 O ACE A 1 58.632 4.326 12.483 1.00 -0.40 O HETATM 879 CH3 ACE A 1 57.792 4.807 10.297 1.00 0.03 C HETATM 880 H1 ACE A 1 57.182 4.270 9.556 1.00 0.05 H HETATM 881 H2 ACE A 1 58.773 5.046 9.861 1.00 0.05 H HETATM 882 H3 ACE A 1 57.283 5.738 10.586 1.00 0.05 H HETATM 883 N11 ACE A 1 57.416 2.741 11.496 1.00 -0.24 N HETATM 884 C10 ACE A 1 57.564 1.831 12.663 1.00 0.12 C HETATM 885 C8 ACE A 1 58.549 0.749 12.331 1.00 0.12 C HETATM 886 S7 ACE A 1 59.864 1.112 11.251 1.00 0.02 S HETATM 887 C3 ACE A 1 60.416 -0.519 11.435 1.00 0.05 C HETATM 888 C2 ACE A 1 59.581 -1.181 12.275 1.00 0.08 C HETATM 889 C1 ACE A 1 59.697 -2.522 12.676 1.00 0.19 C HETATM 890 O1 ACE A 1 60.463 -2.826 13.568 1.00 -0.40 O HETATM 891 N1 ACE A 1 58.949 -3.399 12.036 1.00 -0.28 N HETATM 892 C2 ACE A 1 58.010 -2.997 10.940 1.00 0.03 C HETATM 893 C3 ACE A 1 58.297 -3.868 9.715 1.00 -0.01 C HETATM 894 C4 ACE A 1 58.190 -5.342 10.117 1.00 0.05 C HETATM 895 C ACE A 1 58.373 -6.224 8.876 1.00 0.18 C HETATM 896 O1 ACE A 1 58.910 -5.783 7.879 1.00 -0.40 O HETATM 897 N ACE A 1 57.917 -7.448 8.976 1.00 -0.25 N HETATM 898 CA ACE A 1 58.014 -8.423 7.877 1.00 0.13 C HETATM 899 C ACE A 1 56.931 -8.155 6.828 1.00 0.20 C HETATM 900 O ACE A 1 55.806 -7.832 7.153 1.00 -0.39 O HETATM 901 N ACE A 1 57.261 -8.286 5.573 1.00 -0.26 N HETATM 902 CA ACE A 1 56.249 -8.039 4.508 1.00 0.13 C HETATM 903 C ACE A 1 55.245 -9.196 4.479 1.00 0.21 C HETATM 904 O ACE A 1 55.526 -10.269 4.975 1.00 -0.39 O HETATM 905 N ACE A 1 54.102 -8.938 3.897 1.00 -0.25 N HETATM 906 CA ACE A 1 53.027 -9.939 3.782 1.00 0.13 C HETATM 907 C ACE A 1 53.344 -10.938 2.663 1.00 0.21 C HETATM 908 O ACE A 1 54.234 -10.713 1.867 1.00 -0.39 O HETATM 909 N ACE A 1 52.602 -12.015 2.642 1.00 -0.25 N HETATM 910 CA ACE A 1 52.775 -13.078 1.637 1.00 0.13 C HETATM 911 C ACE A 1 52.140 -12.670 0.303 1.00 0.20 C HETATM 912 O ACE A 1 50.951 -12.816 0.101 1.00 -0.39 O HETATM 913 N ACE A 1 52.927 -12.165 -0.611 1.00 -0.26 N HETATM 914 CA ACE A 1 52.373 -11.756 -1.933 1.00 0.13 C HETATM 915 C ACE A 1 51.391 -12.826 -2.426 1.00 0.21 C HETATM 916 O ACE A 1 51.523 -13.986 -2.092 1.00 -0.39 O HETATM 917 N ACE A 1 50.425 -12.393 -3.195 1.00 -0.25 N HETATM 918 CA ACE A 1 49.383 -13.279 -3.744 1.00 0.13 C HETATM 919 C ACE A 1 49.934 -14.091 -4.920 1.00 0.20 C HETATM 920 O ACE A 1 49.729 -15.286 -5.003 1.00 -0.39 O HETATM 921 N ACE A 1 50.632 -13.487 -5.842 1.00 -0.30 N HETATM 922 H79 ACE A 1 50.997 -14.007 -6.614 1.00 0.18 H HETATM 923 H80 ACE A 1 50.802 -12.504 -5.776 1.00 0.18 H HETATM 924 CB ACE A 1 48.297 -12.302 -4.211 1.00 -0.01 C HETATM 925 CG ACE A 1 49.000 -10.948 -4.432 1.00 -0.03 C HETATM 926 CD ACE A 1 50.287 -10.981 -3.595 1.00 0.04 C HETATM 927 H77 ACE A 1 51.151 -10.660 -4.196 1.00 0.05 H HETATM 928 H78 ACE A 1 50.194 -10.333 -2.711 1.00 0.05 H HETATM 929 H75 ACE A 1 48.351 -10.124 -4.099 1.00 0.03 H HETATM 930 H76 ACE A 1 49.243 -10.816 -5.497 1.00 0.03 H HETATM 931 H73 ACE A 1 47.516 -12.205 -3.442 1.00 0.03 H HETATM 932 H74 ACE A 1 47.846 -12.655 -5.150 1.00 0.03 H HETATM 933 H72 ACE A 1 48.995 -13.961 -2.973 1.00 0.08 H HETATM 934 CB ACE A 1 53.520 -11.590 -2.931 1.00 -0.01 C HETATM 935 CG ACE A 1 53.956 -10.120 -2.955 1.00 -0.04 C HETATM 936 CD1 ACE A 1 55.153 -9.952 -3.884 1.00 -0.06 C HETATM 937 H66 ACE A 1 55.461 -8.896 -3.897 1.00 0.02 H HETATM 938 H67 ACE A 1 54.875 -10.266 -4.901 1.00 0.02 H HETATM 939 H68 ACE A 1 55.987 -10.573 -3.524 1.00 0.02 H HETATM 940 CD2 ACE A 1 52.816 -9.260 -3.482 1.00 -0.06 C HETATM 941 H69 ACE A 1 51.941 -9.368 -2.824 1.00 0.02 H HETATM 942 H70 ACE A 1 52.552 -9.585 -4.499 1.00 0.02 H HETATM 943 H71 ACE A 1 53.131 -8.206 -3.503 1.00 0.02 H HETATM 944 H65 ACE A 1 54.226 -9.799 -1.938 1.00 0.03 H HETATM 945 H63 ACE A 1 53.182 -11.890 -3.934 1.00 0.03 H HETATM 946 H64 ACE A 1 54.368 -12.221 -2.626 1.00 0.03 H HETATM 947 H62 ACE A 1 51.843 -10.798 -1.827 1.00 0.08 H HETATM 948 H61 ACE A 1 53.903 -12.053 -0.423 1.00 0.19 H HETATM 949 CB ACE A 1 52.036 -14.272 2.250 1.00 -0.01 C HETATM 950 CG ACE A 1 51.023 -13.686 3.263 1.00 -0.03 C HETATM 951 CD ACE A 1 51.524 -12.274 3.618 1.00 0.04 C HETATM 952 H59 ACE A 1 50.716 -11.535 3.512 1.00 0.05 H HETATM 953 H60 ACE A 1 51.914 -12.246 4.646 1.00 0.05 H HETATM 954 H57 ACE A 1 50.983 -14.313 4.166 1.00 0.03 H HETATM 955 H58 ACE A 1 50.022 -13.631 2.810 1.00 0.03 H HETATM 956 H55 ACE A 1 52.747 -14.936 2.764 1.00 0.03 H HETATM 957 H56 ACE A 1 51.508 -14.835 1.467 1.00 0.03 H HETATM 958 H54 ACE A 1 53.840 -13.309 1.484 1.00 0.08 H HETATM 959 CB ACE A 1 51.792 -9.102 3.439 1.00 -0.01 C HETATM 960 CG ACE A 1 52.317 -7.781 2.828 1.00 -0.03 C HETATM 961 CD ACE A 1 53.776 -7.627 3.298 1.00 0.04 C HETATM 962 H52 ACE A 1 54.439 -7.410 2.448 1.00 0.05 H HETATM 963 H53 ACE A 1 53.863 -6.824 4.045 1.00 0.05 H HETATM 964 H50 ACE A 1 51.713 -6.933 3.182 1.00 0.03 H HETATM 965 H51 ACE A 1 52.275 -7.828 1.730 1.00 0.03 H HETATM 966 H48 ACE A 1 51.208 -8.895 4.348 1.00 0.03 H HETATM 967 H49 ACE A 1 51.162 -9.634 2.711 1.00 0.03 H HETATM 968 H47 ACE A 1 52.886 -10.479 4.730 1.00 0.08 H HETATM 969 CB ACE A 1 56.949 -7.939 3.151 1.00 -0.01 C HETATM 970 CG ACE A 1 57.748 -6.637 3.083 1.00 -0.04 C HETATM 971 CD1 ACE A 1 59.058 -6.881 2.333 1.00 -0.06 C HETATM 972 H41 ACE A 1 59.633 -5.944 2.284 1.00 0.02 H HETATM 973 H42 ACE A 1 58.837 -7.229 1.313 1.00 0.02 H HETATM 974 H43 ACE A 1 59.647 -7.645 2.862 1.00 0.02 H HETATM 975 CD2 ACE A 1 56.929 -5.575 2.346 1.00 -0.06 C HETATM 976 H44 ACE A 1 55.986 -5.399 2.885 1.00 0.02 H HETATM 977 H45 ACE A 1 56.708 -5.924 1.327 1.00 0.02 H HETATM 978 H46 ACE A 1 57.503 -4.638 2.296 1.00 0.02 H HETATM 979 H40 ACE A 1 57.968 -6.288 4.103 1.00 0.03 H HETATM 980 H38 ACE A 1 56.196 -7.949 2.349 1.00 0.03 H HETATM 981 H39 ACE A 1 57.630 -8.794 3.026 1.00 0.03 H HETATM 982 H37 ACE A 1 55.719 -7.098 4.717 1.00 0.08 H HETATM 983 H36 ACE A 1 58.193 -8.552 5.326 1.00 0.19 H HETATM 984 CB ACE A 1 57.780 -9.768 8.569 1.00 -0.01 C HETATM 985 CG ACE A 1 57.010 -9.458 9.875 1.00 -0.03 C HETATM 986 CD ACE A 1 57.261 -7.972 10.192 1.00 0.04 C HETATM 987 H34 ACE A 1 56.312 -7.448 10.380 1.00 0.05 H HETATM 988 H35 ACE A 1 57.919 -7.865 11.067 1.00 0.05 H HETATM 989 H32 ACE A 1 57.384 -10.089 10.695 1.00 0.03 H HETATM 990 H33 ACE A 1 55.934 -9.639 9.733 1.00 0.03 H HETATM 991 H30 ACE A 1 58.742 -10.250 8.799 1.00 0.03 H HETATM 992 H31 ACE A 1 57.184 -10.430 7.923 1.00 0.03 H HETATM 993 H29 ACE A 1 59.006 -8.389 7.403 1.00 0.08 H HETATM 994 C5 ACE A 1 59.293 -5.648 11.134 1.00 -0.01 C HETATM 995 C6 ACE A 1 59.029 -4.838 12.405 1.00 0.03 C HETATM 996 H27 ACE A 1 58.080 -5.159 12.859 1.00 0.05 H HETATM 997 H28 ACE A 1 59.849 -4.993 13.121 1.00 0.05 H HETATM 998 H25 ACE A 1 60.271 -5.369 10.714 1.00 0.03 H HETATM 999 H26 ACE A 1 59.289 -6.722 11.372 1.00 0.03 H HETATM 1000 H24 ACE A 1 57.205 -5.536 10.566 1.00 0.05 H HETATM 1001 H22 ACE A 1 59.311 -3.660 9.343 1.00 0.03 H HETATM 1002 H23 ACE A 1 57.564 -3.647 8.925 1.00 0.03 H HETATM 1003 H20 ACE A 1 58.165 -1.938 10.687 1.00 0.05 H HETATM 1004 H21 ACE A 1 56.971 -3.147 11.267 1.00 0.05 H HETATM 1005 N9 ACE A 1 58.521 -0.485 12.793 1.00 -0.32 N HETATM 1006 C4 ACE A 1 61.643 -1.011 10.726 1.00 0.01 C HETATM 1007 C5 ACE A 1 61.348 -1.152 9.232 1.00 -0.05 C HETATM 1008 H5 ACE A 1 62.248 -1.513 8.713 1.00 0.03 H HETATM 1009 H6 ACE A 1 61.056 -0.174 8.822 1.00 0.03 H HETATM 1010 H7 ACE A 1 60.528 -1.871 9.086 1.00 0.03 H HETATM 1011 C6 ACE A 1 62.783 -0.011 10.929 1.00 -0.05 C HETATM 1012 H8 ACE A 1 62.995 0.090 12.004 1.00 0.03 H HETATM 1013 H9 ACE A 1 62.490 0.967 10.519 1.00 0.03 H HETATM 1014 H10 ACE A 1 63.684 -0.371 10.410 1.00 0.03 H HETATM 1015 H4 ACE A 1 61.936 -1.989 11.136 1.00 0.05 H HETATM 1016 C15 ACE A 1 56.211 1.219 12.995 1.00 0.02 C HETATM 1017 C14 ACE A 1 55.702 0.484 11.789 1.00 -0.03 C HETATM 1018 C13 ACE A 1 55.911 1.003 10.500 1.00 -0.02 C HETATM 1019 C12 ACE A 1 56.634 2.322 10.285 1.00 0.07 C HETATM 1020 H12 ACE A 1 57.325 2.213 9.436 1.00 0.07 H HETATM 1021 H13 ACE A 1 55.891 3.100 10.056 1.00 0.07 H HETATM 1022 C19 ACE A 1 55.433 0.300 9.386 1.00 -0.06 C HETATM 1023 C18 ACE A 1 54.753 -0.911 9.555 1.00 -0.08 C HETATM 1024 C17 ACE A 1 54.546 -1.424 10.839 1.00 -0.08 C HETATM 1025 C16 ACE A 1 55.020 -0.728 11.954 1.00 -0.07 C HETATM 1026 H16 ACE A 1 54.859 -1.127 12.949 1.00 0.05 H HETATM 1027 H17 ACE A 1 54.018 -2.362 10.970 1.00 0.05 H HETATM 1028 H18 ACE A 1 54.386 -1.452 8.690 1.00 0.05 H HETATM 1029 H19 ACE A 1 55.591 0.696 8.389 1.00 0.05 H HETATM 1030 H14 ACE A 1 55.503 2.015 13.269 1.00 0.05 H HETATM 1031 H15 ACE A 1 56.319 0.519 13.836 1.00 0.05 H HETATM 1032 H11 ACE A 1 57.929 2.402 13.530 1.00 0.08 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 877 878 879 883 CONECT 878 877 CONECT 879 877 880 881 882 CONECT 880 879 CONECT 881 879 CONECT 882 879 CONECT 883 877 884 1019 CONECT 884 883 885 1016 1032 CONECT 885 884 886 1005 CONECT 886 885 887 CONECT 887 886 888 1006 CONECT 888 887 889 1005 CONECT 889 888 890 891 CONECT 890 889 CONECT 891 889 892 995 CONECT 892 891 893 1003 1004 CONECT 893 892 894 1001 1002 CONECT 894 893 895 994 1000 CONECT 895 894 896 897 CONECT 896 895 CONECT 897 895 898 986 CONECT 898 897 899 984 993 CONECT 899 898 900 901 CONECT 900 899 CONECT 901 899 902 983 CONECT 902 901 903 969 982 CONECT 903 902 904 905 CONECT 904 903 CONECT 905 903 906 961 CONECT 906 905 907 959 968 CONECT 907 906 908 909 CONECT 908 907 CONECT 909 907 910 951 CONECT 910 909 911 949 958 CONECT 911 910 912 913 CONECT 912 911 CONECT 913 911 914 948 CONECT 914 913 915 934 947 CONECT 915 914 916 917 CONECT 916 915 CONECT 917 915 918 926 CONECT 918 917 919 924 933 CONECT 919 918 920 921 CONECT 920 919 CONECT 921 919 922 923 CONECT 922 921 CONECT 923 921 CONECT 924 918 925 931 932 CONECT 925 924 926 929 930 CONECT 926 917 925 927 928 CONECT 927 926 CONECT 928 926 CONECT 929 925 CONECT 930 925 CONECT 931 924 CONECT 932 924 CONECT 933 918 CONECT 934 914 935 945 946 CONECT 935 934 936 940 944 CONECT 936 935 937 938 939 CONECT 937 936 CONECT 938 936 CONECT 939 936 CONECT 940 935 941 942 943 CONECT 941 940 CONECT 942 940 CONECT 943 940 CONECT 944 935 CONECT 945 934 CONECT 946 934 CONECT 947 914 CONECT 948 913 CONECT 949 910 950 956 957 CONECT 950 949 951 954 955 CONECT 951 909 950 952 953 CONECT 952 951 CONECT 953 951 CONECT 954 950 CONECT 955 950 CONECT 956 949 CONECT 957 949 CONECT 958 910 CONECT 959 906 960 966 967 CONECT 960 959 961 964 965 CONECT 961 905 960 962 963 CONECT 962 961 CONECT 963 961 CONECT 964 960 CONECT 965 960 CONECT 966 959 CONECT 967 959 CONECT 968 906 CONECT 969 902 970 980 981 CONECT 970 969 971 975 979 CONECT 971 970 972 973 974 CONECT 972 971 CONECT 973 971 CONECT 974 971 CONECT 975 970 976 977 978 CONECT 976 975 CONECT 977 975 CONECT 978 975 CONECT 979 970 CONECT 980 969 CONECT 981 969 CONECT 982 902 CONECT 983 901 CONECT 984 898 985 991 992 CONECT 985 984 986 989 990 CONECT 986 897 985 987 988 CONECT 987 986 CONECT 988 986 CONECT 989 985 CONECT 990 985 CONECT 991 984 CONECT 992 984 CONECT 993 898 CONECT 994 894 995 998 999 CONECT 995 891 994 996 997 CONECT 996 995 CONECT 997 995 CONECT 998 994 CONECT 999 994 CONECT 1000 894 CONECT 1001 893 CONECT 1002 893 CONECT 1003 892 CONECT 1004 892 CONECT 1005 885 888 CONECT 1006 887 1007 1011 1015 CONECT 1007 1006 1008 1009 1010 CONECT 1008 1007 CONECT 1009 1007 CONECT 1010 1007 CONECT 1011 1006 1012 1013 1014 CONECT 1012 1011 CONECT 1013 1011 CONECT 1014 1011 CONECT 1015 1006 CONECT 1016 884 1017 1030 1031 CONECT 1017 1016 1018 1025 CONECT 1018 1017 1019 1022 CONECT 1019 883 1018 1020 1021 CONECT 1020 1019 CONECT 1021 1019 CONECT 1022 1018 1023 1029 CONECT 1023 1022 1024 1028 CONECT 1024 1023 1025 1027 CONECT 1025 1017 1024 1026 CONECT 1026 1025 CONECT 1027 1024 CONECT 1028 1023 CONECT 1029 1022 CONECT 1030 1016 CONECT 1031 1016 CONECT 1032 884 MASTER 0 0 0 0 0 0 0 0 1031 1 160 5 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 1nlp
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%
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%
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
1fo0
RCSB PDB
PDBbind
8-mer
1fzj
RCSB PDB
PDBbind
8-mer
1fzm
RCSB PDB
PDBbind
8-mer
1g6r
RCSB PDB
PDBbind
8-mer
1g7q
RCSB PDB
PDBbind
8-mer
1leg
RCSB PDB
PDBbind
8-mer
1lek
RCSB PDB
PDBbind
8-mer
1nzl
RCSB PDB
PDBbind
8-mer
1nzv
RCSB PDB
PDBbind
8-mer
1obx
RCSB PDB
PDBbind
8-mer
1okx
RCSB PDB
PDBbind
8-mer
1p2g
RCSB PDB
PDBbind
8-mer
1pig
RCSB PDB
PDBbind
8-mer
1pz5
RCSB PDB
PDBbind
8-mer
1qja
RCSB PDB
PDBbind
8-mer
1qjb
RCSB PDB
PDBbind
8-mer
1qr3
RCSB PDB
PDBbind
8-mer
1sle
RCSB PDB
PDBbind
8-mer
1tps
RCSB PDB
PDBbind
8-mer
2c1n
RCSB PDB
PDBbind
8-mer
2clv
RCSB PDB
PDBbind
8-mer
2er0
RCSB PDB
PDBbind
8-mer
2er9
RCSB PDB
PDBbind
8-mer
2fo4
RCSB PDB
PDBbind
8-mer
2h6k
RCSB PDB
PDBbind
8-mer
2kbs
RCSB PDB
PDBbind
8-mer
2qbw
RCSB PDB
PDBbind
8-mer
2r03
RCSB PDB
PDBbind
8-mer
2r9b
RCSB PDB
PDBbind
8-mer
2rly
RCSB PDB
PDBbind
8-mer
2rt5
RCSB PDB
PDBbind
8-mer
2v88
RCSB PDB
PDBbind
8-mer
2w16
RCSB PDB
PDBbind
8-mer
2w3o
RCSB PDB
PDBbind
8-mer
2ynn
RCSB PDB
PDBbind
8-mer
2zpk
RCSB PDB
PDBbind
8-mer
3agm
RCSB PDB
PDBbind
8-mer
3av9
RCSB PDB
PDBbind
8-mer
3ava
RCSB PDB
PDBbind
8-mer
3avb
RCSB PDB
PDBbind
8-mer
3avf
RCSB PDB
PDBbind
8-mer
3avg
RCSB PDB
PDBbind
8-mer
3avh
RCSB PDB
PDBbind
8-mer
3avi
RCSB PDB
PDBbind
8-mer
3avj
RCSB PDB
PDBbind
8-mer
3avk
RCSB PDB
PDBbind
8-mer
3avl
RCSB PDB
PDBbind
8-mer
3avm
RCSB PDB
PDBbind
8-mer
3avn
RCSB PDB
PDBbind
8-mer
3drf
RCSB PDB
PDBbind
8-mer
3ds9
RCSB PDB
PDBbind
8-mer
3eyu
RCSB PDB
PDBbind
8-mer
3h85
RCSB PDB
PDBbind
8-mer
3i91
RCSB PDB
PDBbind
8-mer
3jvk
RCSB PDB
PDBbind
8-mer
3kze
RCSB PDB
PDBbind
8-mer
3muk
RCSB PDB
PDBbind
8-mer
3n5e
RCSB PDB
PDBbind
8-mer
3nf3
RCSB PDB
PDBbind
8-mer
3omc
RCSB PDB
PDBbind
8-mer
3omg
RCSB PDB
PDBbind
8-mer
3p9l
RCSB PDB
PDBbind
8-mer
3p9m
RCSB PDB
PDBbind
8-mer
3pab
RCSB PDB
PDBbind
8-mer
3qg6
RCSB PDB
PDBbind
8-mer
3rdv
RCSB PDB
PDBbind
8-mer
3rwh
RCSB PDB
PDBbind
8-mer
3rwj
RCSB PDB
PDBbind
8-mer
3unn
RCSB PDB
PDBbind
8-mer
3uqp
RCSB PDB
PDBbind
8-mer
3uri
RCSB PDB
PDBbind
8-mer
3uyr
RCSB PDB
PDBbind
8-mer
3zev
RCSB PDB
PDBbind
8-mer
3zvy
RCSB PDB
PDBbind
8-mer
3zyr
RCSB PDB
PDBbind
8-mer
4aa1
RCSB PDB
PDBbind
8-mer
4aph
RCSB PDB
PDBbind
8-mer
4apr
RCSB PDB
PDBbind
8-mer
4dv9
RCSB PDB
PDBbind
8-mer
4e67
RCSB PDB
PDBbind
8-mer
4eoy
RCSB PDB
PDBbind
8-mer
4ep2
RCSB PDB
PDBbind
8-mer
4eqj
RCSB PDB
PDBbind
8-mer
4ezr
RCSB PDB
PDBbind
8-mer
4fmo
RCSB PDB
PDBbind
8-mer
4fn5
RCSB PDB
PDBbind
8-mer
4gpk
RCSB PDB
PDBbind
8-mer
4gvc
RCSB PDB
PDBbind
8-mer
4gvd
RCSB PDB
PDBbind
8-mer
4gvu
RCSB PDB
PDBbind
8-mer
4h36
RCSB PDB
PDBbind
8-mer
4h75
RCSB PDB
PDBbind
8-mer
4ii9
RCSB PDB
PDBbind
8-mer
4jiz
RCSB PDB
PDBbind
8-mer
4lkl
RCSB PDB
PDBbind
8-mer
4lkm
RCSB PDB
PDBbind
8-mer
4mji
RCSB PDB
PDBbind
8-mer
4nxq
RCSB PDB
PDBbind
8-mer
4nxr
RCSB PDB
PDBbind
8-mer
4o2f
RCSB PDB
PDBbind
8-mer
4rxh
RCSB PDB
PDBbind
8-mer
4y7r
RCSB PDB
PDBbind
8-mer
4ysi
RCSB PDB
PDBbind
8-mer
5d7e
RCSB PDB
PDBbind
8-mer
5e2q
RCSB PDB
PDBbind
8-mer
5elq
RCSB PDB
PDBbind
8-mer
5em9
RCSB PDB
PDBbind
8-mer
5ema
RCSB PDB
PDBbind
8-mer
5emb
RCSB PDB
PDBbind
8-mer
5fjx
RCSB PDB
PDBbind
8-mer
5fpi
RCSB PDB
PDBbind
8-mer
5gmv
RCSB PDB
PDBbind
8-mer
5hjb
RCSB PDB
PDBbind
8-mer
5i25
RCSB PDB
PDBbind
8-mer
5iok
RCSB PDB
PDBbind
8-mer
5iql
RCSB PDB
PDBbind
8-mer
5jjm
RCSB PDB
PDBbind
8-mer
5mgx
RCSB PDB
PDBbind
8-mer
5n70
RCSB PDB
PDBbind
8-mer
5svi
RCSB PDB
PDBbind
8-mer
5sxm
RCSB PDB
PDBbind
8-mer
5t6p
RCSB PDB
PDBbind
8-mer
5t78
RCSB PDB
PDBbind
8-mer
5teg
RCSB PDB
PDBbind
8-mer
5tkj
RCSB PDB
PDBbind
8-mer
5tkk
RCSB PDB
PDBbind
8-mer
5vwi
RCSB PDB
PDBbind
8-mer
5vwk
RCSB PDB
PDBbind
8-mer
5wou
RCSB PDB
PDBbind
8-mer
5wtt
RCSB PDB
PDBbind
8-mer
5xjm
RCSB PDB
PDBbind
8-mer
5xn3
RCSB PDB
PDBbind
8-mer
5yba
RCSB PDB
PDBbind
8-mer
6cdm
RCSB PDB
PDBbind
8-mer
6cdo
RCSB PDB
PDBbind
8-mer
6cdp
RCSB PDB
PDBbind
8-mer
6e86
RCSB PDB
PDBbind
8-mer
6eww
RCSB PDB
PDBbind
8-mer
6fau
RCSB PDB
PDBbind
8-mer
6fav
RCSB PDB
PDBbind
8-mer
6faw
RCSB PDB
PDBbind
8-mer
6fbw
RCSB PDB
PDBbind
8-mer
6fby
RCSB PDB
PDBbind
8-mer
6fel
RCSB PDB
PDBbind
8-mer
6fi4
RCSB PDB
PDBbind
8-mer
6fi5
RCSB PDB
PDBbind
8-mer
6fmp
RCSB PDB
PDBbind
8-mer
6fx1
RCSB PDB
PDBbind
8-mer
6hpg
RCSB PDB
PDBbind
8-mer
6min
RCSB PDB
PDBbind
8-mer
6miq
RCSB PDB
PDBbind
8-mer
6q3q
RCSB PDB
PDBbind
8-mer
6r0x
RCSB PDB
PDBbind
8-mer
6qk8
RCSB PDB
PDBbind
8-mer
6q4q
RCSB PDB
PDBbind
8-mer
6mtv
RCSB PDB
PDBbind
8-mer
6mtu
RCSB PDB
PDBbind
8-mer
6ms1
RCSB PDB
PDBbind
8-mer
6mqe
RCSB PDB
PDBbind
8-mer
6mqc
RCSB PDB
PDBbind
8-mer
6jax
RCSB PDB
PDBbind
8-mer
6hmt
RCSB PDB
PDBbind
8-mer
6hhp
RCSB PDB
PDBbind
8-mer
6dtn
RCSB PDB
PDBbind
8-mer
6dql
RCSB PDB
PDBbind
8-mer
6do1
RCSB PDB
PDBbind
8-mer
Entry Information
PDB ID
1nlp
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
c-src tyrosine kinase
Ligand Name
8-mer
EC.Number
E.C.2.7.1.112
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=11uM
Release Year
1997
Protein/NA Sequence
Check fasta file
Primary Reference
Chem.Biol. v3 pp. 661-70, 1996
Ligand Properties
Formula
C
5
6
H
8
0
N
1
0
O
9
S
Molecular Weight
1069.360
Exact Mass
1068.580
No. of atoms
156
No. of bonds
163
Polar Surface Area
264.28
LOGP Value
4.51 (
Computed with XLOGP3
)
5.39 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 24
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 8
Canonical SMILES
CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCN(CC1)C(=O)c1nc(sc1C(C)C)[C@@H]1Cc2ccccc2CN1C(=O)C)C
InChI String
InChI=1S/C56H80N10O9S/c1-32(2)28-39(53(72)62-22-10-16-41(62)48(57)68)58-50(70)43-18-12-24-64(43)55(74)44-19-13-25-65(44)54(73)40(29-33(3)4)59-49(69)42-17-11-23-63(42)52(71)36-20-26-61(27-21-36)56(75)46-47(34(5)6)76-51(60-46)45-30-37-14-8-9-15-38(37)31-66(45)35(7)67/h8-9,14-15,32-34,36,39-45H,10-13,16-31H2,1-7H3,(H2,57,68)(H,58,70)(H,59,69)/t39-,40-,41-,42-,43-,44-,45-/m0/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
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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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