Browse entries in the PDBbind-CN Database
HEADER 1KNE_COMPLEX COMPND 1KNE_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 52 GLU TYR ALA VAL GLU LYS ILE ILE ASP ARG ARG VAL ARG SEQRES 2 A 52 LYS GLY MET VAL GLU TYR TYR LEU LYS TRP LYS GLY TYR SEQRES 3 A 52 PRO GLU THR GLU ASN THR TRP GLU PRO GLU ASN ASN LEU SEQRES 4 A 52 ASP CYS GLN ASP LEU ILE GLN GLN TYR GLU ALA SER ARG HET GLN A 124 110 ATOM 1 N GLU A 23 -4.484 25.091 6.300 1.00 23.79 N ATOM 2 CA GLU A 23 -5.192 25.068 7.610 1.00 24.79 C ATOM 3 C GLU A 23 -4.794 26.227 8.540 1.00 23.43 C ATOM 4 O GLU A 23 -5.618 26.626 9.359 1.00 24.46 O ATOM 5 CB GLU A 23 -4.976 23.707 8.319 1.00 25.51 C ATOM 6 CG GLU A 23 -3.462 23.352 8.626 1.00 29.84 C ATOM 7 CD GLU A 23 -3.333 22.160 9.548 1.00 33.25 C ATOM 8 OE1 GLU A 23 -2.188 21.810 9.911 1.00 34.79 O ATOM 9 OE2 GLU A 23 -4.381 21.573 9.911 1.00 36.25 O ATOM 10 HA GLU A 23 -6.251 25.201 7.389 1.00 0.00 H ATOM 11 HB2 GLU A 23 -5.519 23.726 9.264 1.00 0.00 H ATOM 12 HB3 GLU A 23 -5.386 22.923 7.682 1.00 0.00 H ATOM 13 HG2 GLU A 23 -2.956 23.127 7.687 1.00 0.00 H ATOM 14 HG3 GLU A 23 -2.987 24.213 9.096 1.00 0.00 H ATOM 15 HN3 GLU A 23 -3.459 25.026 6.460 1.00 0.00 H ATOM 16 HN2 GLU A 23 -4.703 25.979 5.805 1.00 0.00 H ATOM 17 HN1 GLU A 23 -4.798 24.285 5.723 1.00 0.00 H ATOM 18 N TYR A 24 -3.578 26.758 8.432 1.00 19.84 N ATOM 19 CA TYR A 24 -3.190 27.898 9.271 1.00 17.77 C ATOM 20 C TYR A 24 -2.637 29.078 8.490 1.00 16.33 C ATOM 21 O TYR A 24 -1.822 28.877 7.587 1.00 14.04 O ATOM 22 CB TYR A 24 -2.144 27.500 10.335 1.00 17.10 C ATOM 23 CG TYR A 24 -2.650 26.551 11.384 1.00 18.50 C ATOM 24 CD1 TYR A 24 -2.285 25.208 11.368 1.00 18.26 C ATOM 25 CD2 TYR A 24 -3.484 27.001 12.405 1.00 18.24 C ATOM 26 CE1 TYR A 24 -2.733 24.339 12.348 1.00 20.67 C ATOM 27 CE2 TYR A 24 -3.941 26.144 13.387 1.00 19.87 C ATOM 28 CZ TYR A 24 -3.561 24.810 13.356 1.00 21.93 C ATOM 29 OH TYR A 24 -4.004 23.944 14.335 1.00 23.63 O ATOM 30 HA TYR A 24 -4.121 28.207 9.746 1.00 0.00 H ATOM 31 HB3 TYR A 24 -1.803 28.408 10.833 1.00 0.00 H ATOM 32 HB2 TYR A 24 -1.303 27.028 9.826 1.00 0.00 H ATOM 33 HD2 TYR A 24 -3.782 28.049 12.429 1.00 0.00 H ATOM 34 HE2 TYR A 24 -4.594 26.512 14.179 1.00 0.00 H ATOM 35 HE1 TYR A 24 -2.437 23.290 12.328 1.00 0.00 H ATOM 36 HD1 TYR A 24 -1.638 24.836 10.574 1.00 0.00 H ATOM 37 HH TYR A 24 -3.641 23.039 14.162 1.00 0.00 H ATOM 38 H TYR A 24 -2.900 26.363 7.750 1.00 0.00 H ATOM 39 N ALA A 25 -3.059 30.286 8.843 1.00 14.89 N ATOM 40 CA ALA A 25 -2.580 31.478 8.157 1.00 12.54 C ATOM 41 C ALA A 25 -1.087 31.704 8.335 1.00 11.32 C ATOM 42 O ALA A 25 -0.609 31.682 9.468 1.00 10.15 O ATOM 43 CB ALA A 25 -3.350 32.713 8.648 1.00 11.89 C ATOM 44 HA ALA A 25 -2.758 31.321 7.093 1.00 0.00 H ATOM 45 HB1 ALA A 25 -4.412 32.583 8.442 1.00 0.00 H ATOM 46 HB2 ALA A 25 -3.199 32.831 9.721 1.00 0.00 H ATOM 47 HB3 ALA A 25 -2.984 33.598 8.128 1.00 0.00 H ATOM 48 H ALA A 25 -3.742 30.383 9.621 1.00 0.00 H ATOM 49 N VAL A 26 -0.379 31.913 7.230 1.00 9.65 N ATOM 50 CA VAL A 26 1.054 32.156 7.252 1.00 8.53 C ATOM 51 C VAL A 26 1.390 33.635 7.233 1.00 9.65 C ATOM 52 O VAL A 26 0.872 34.361 6.382 1.00 7.75 O ATOM 53 CB VAL A 26 1.770 31.506 6.036 1.00 6.47 C ATOM 54 CG1 VAL A 26 3.268 31.785 6.115 1.00 4.12 C ATOM 55 CG2 VAL A 26 1.511 30.005 6.007 1.00 5.65 C ATOM 56 HA VAL A 26 1.403 31.709 8.183 1.00 0.00 H ATOM 57 HB VAL A 26 1.375 31.939 5.117 1.00 0.00 H ATOM 58 HG11 VAL A 26 3.437 32.862 6.102 1.00 0.00 H ATOM 59 HG12 VAL A 26 3.666 31.364 7.038 1.00 0.00 H ATOM 60 HG13 VAL A 26 3.767 31.328 5.261 1.00 0.00 H ATOM 61 HG21 VAL A 26 1.889 29.555 6.925 1.00 0.00 H ATOM 62 HG22 VAL A 26 0.439 29.824 5.927 1.00 0.00 H ATOM 63 HG23 VAL A 26 2.020 29.566 5.149 1.00 0.00 H ATOM 64 H VAL A 26 -0.870 31.902 6.313 1.00 0.00 H ATOM 65 N GLU A 27 2.231 34.071 8.160 1.00 10.20 N ATOM 66 CA GLU A 27 2.618 35.469 8.219 1.00 12.11 C ATOM 67 C GLU A 27 3.732 35.805 7.237 1.00 12.06 C ATOM 68 O GLU A 27 3.619 36.791 6.508 1.00 11.14 O ATOM 69 CB GLU A 27 3.066 35.827 9.647 1.00 13.18 C ATOM 70 CG GLU A 27 3.468 37.355 9.835 1.00 15.19 C ATOM 71 CD GLU A 27 3.969 37.652 11.238 1.00 17.18 C ATOM 72 OE1 GLU A 27 3.218 37.422 12.215 1.00 14.18 O ATOM 73 OE2 GLU A 27 5.124 38.110 11.360 1.00 20.88 O ATOM 74 HA GLU A 27 1.744 36.058 7.939 1.00 0.00 H ATOM 75 HB2 GLU A 27 2.247 35.601 10.330 1.00 0.00 H ATOM 76 HB3 GLU A 27 3.929 35.211 9.900 1.00 0.00 H ATOM 77 HG2 GLU A 27 4.255 37.601 9.122 1.00 0.00 H ATOM 78 HG3 GLU A 27 2.594 37.975 9.636 1.00 0.00 H ATOM 79 H GLU A 27 2.619 33.402 8.855 1.00 0.00 H ATOM 80 N LYS A 28 4.780 34.988 7.209 1.00 12.45 N ATOM 81 CA LYS A 28 5.889 35.226 6.300 1.00 13.43 C ATOM 82 C LYS A 28 6.881 34.082 6.230 1.00 12.52 C ATOM 83 O LYS A 28 6.928 33.262 7.149 1.00 11.93 O ATOM 84 CB LYS A 28 6.628 36.521 6.715 1.00 16.15 C ATOM 85 CG LYS A 28 7.025 36.539 8.259 1.00 22.56 C ATOM 86 CD LYS A 28 7.765 37.890 8.671 1.00 29.35 C ATOM 87 CE LYS A 28 9.341 37.796 8.522 1.00 34.00 C ATOM 88 NZ LYS A 28 9.885 36.892 9.579 1.00 35.29 N ATOM 89 HA LYS A 28 5.456 35.322 5.305 1.00 0.00 H ATOM 90 HB2 LYS A 28 7.537 36.609 6.120 1.00 0.00 H ATOM 91 HB3 LYS A 28 5.979 37.373 6.512 1.00 0.00 H ATOM 92 HG2 LYS A 28 6.119 36.438 8.857 1.00 0.00 H ATOM 93 HG3 LYS A 28 7.689 35.698 8.462 1.00 0.00 H ATOM 94 HD2 LYS A 28 7.402 38.695 8.033 1.00 0.00 H ATOM 95 HD3 LYS A 28 7.526 38.116 9.710 1.00 0.00 H ATOM 96 HE2 LYS A 28 9.777 38.789 8.632 1.00 0.00 H ATOM 97 HE3 LYS A 28 9.591 37.398 7.538 1.00 0.00 H ATOM 98 HZ1 LYS A 28 9.646 37.274 10.516 1.00 0.00 H ATOM 99 HZ2 LYS A 28 9.468 35.945 9.472 1.00 0.00 H ATOM 100 HZ3 LYS A 28 10.919 36.830 9.482 1.00 0.00 H ATOM 101 H LYS A 28 4.807 34.167 7.847 1.00 0.00 H ATOM 102 N ILE A 29 7.654 34.032 5.152 1.00 10.96 N ATOM 103 CA ILE A 29 8.675 33.017 4.992 1.00 10.97 C ATOM 104 C ILE A 29 10.019 33.536 5.495 1.00 11.81 C ATOM 105 O ILE A 29 10.507 34.528 4.965 1.00 14.67 O ATOM 106 CB ILE A 29 8.775 32.588 3.509 1.00 10.06 C ATOM 107 CG1 ILE A 29 7.426 32.003 3.046 1.00 8.07 C ATOM 108 CG2 ILE A 29 9.851 31.521 3.333 1.00 9.56 C ATOM 109 CD1 ILE A 29 7.289 31.910 1.529 1.00 8.43 C ATOM 110 HA ILE A 29 8.400 32.144 5.585 1.00 0.00 H ATOM 111 HB ILE A 29 9.031 33.465 2.915 1.00 0.00 H ATOM 112 HG12 ILE A 29 7.323 31.002 3.464 1.00 0.00 H ATOM 113 HG13 ILE A 29 6.626 32.638 3.426 1.00 0.00 H ATOM 114 HD11 ILE A 29 7.378 32.906 1.096 1.00 0.00 H ATOM 115 HD12 ILE A 29 8.076 31.268 1.133 1.00 0.00 H ATOM 116 HD13 ILE A 29 6.315 31.490 1.279 1.00 0.00 H ATOM 117 HG21 ILE A 29 10.813 31.921 3.652 1.00 0.00 H ATOM 118 HG22 ILE A 29 9.600 30.650 3.938 1.00 0.00 H ATOM 119 HG23 ILE A 29 9.906 31.232 2.283 1.00 0.00 H ATOM 120 H ILE A 29 7.523 34.741 4.402 1.00 0.00 H ATOM 121 N ILE A 30 10.584 32.901 6.517 1.00 12.16 N ATOM 122 CA ILE A 30 11.850 33.343 7.104 1.00 12.34 C ATOM 123 C ILE A 30 13.099 32.781 6.449 1.00 14.68 C ATOM 124 O ILE A 30 14.148 33.429 6.465 1.00 14.82 O ATOM 125 CB ILE A 30 11.929 32.964 8.605 1.00 13.03 C ATOM 126 CG1 ILE A 30 10.818 33.682 9.385 1.00 13.20 C ATOM 127 CG2 ILE A 30 13.310 33.328 9.172 1.00 8.53 C ATOM 128 CD1 ILE A 30 10.745 33.283 10.836 1.00 17.32 C ATOM 129 HA ILE A 30 11.840 34.421 6.944 1.00 0.00 H ATOM 130 HB ILE A 30 11.788 31.888 8.709 1.00 0.00 H ATOM 131 HG12 ILE A 30 10.997 34.756 9.331 1.00 0.00 H ATOM 132 HG13 ILE A 30 9.862 33.451 8.915 1.00 0.00 H ATOM 133 HD11 ILE A 30 10.554 32.212 10.908 1.00 0.00 H ATOM 134 HD12 ILE A 30 11.691 33.518 11.324 1.00 0.00 H ATOM 135 HD13 ILE A 30 9.938 33.831 11.322 1.00 0.00 H ATOM 136 HG21 ILE A 30 14.081 32.785 8.625 1.00 0.00 H ATOM 137 HG22 ILE A 30 13.474 34.400 9.065 1.00 0.00 H ATOM 138 HG23 ILE A 30 13.351 33.056 10.227 1.00 0.00 H ATOM 139 H ILE A 30 10.111 32.063 6.912 1.00 0.00 H ATOM 140 N ASP A 31 12.991 31.588 5.891 1.00 15.31 N ATOM 141 CA ASP A 31 14.149 30.970 5.294 1.00 13.71 C ATOM 142 C ASP A 31 13.783 29.783 4.425 1.00 12.96 C ATOM 143 O ASP A 31 12.634 29.346 4.463 1.00 12.87 O ATOM 144 CB ASP A 31 15.102 30.539 6.422 1.00 13.96 C ATOM 145 CG ASP A 31 16.516 30.310 5.944 1.00 15.90 C ATOM 146 OD1 ASP A 31 16.766 30.385 4.724 1.00 16.57 O ATOM 147 OD2 ASP A 31 17.385 30.047 6.800 1.00 17.50 O ATOM 148 HA ASP A 31 14.634 31.694 4.639 1.00 0.00 H ATOM 149 HB2 ASP A 31 15.114 31.319 7.184 1.00 0.00 H ATOM 150 HB3 ASP A 31 14.728 29.613 6.858 1.00 0.00 H ATOM 151 H ASP A 31 12.074 31.097 5.882 1.00 0.00 H ATOM 152 N ARG A 32 14.748 29.272 3.672 1.00 13.68 N ATOM 153 CA ARG A 32 14.525 28.153 2.774 1.00 15.12 C ATOM 154 C ARG A 32 15.656 27.129 2.767 1.00 14.39 C ATOM 155 O ARG A 32 16.817 27.499 2.960 1.00 13.85 O ATOM 156 CB ARG A 32 14.321 28.683 1.338 1.00 16.62 C ATOM 157 CG ARG A 32 14.379 27.559 0.214 1.00 20.88 C ATOM 158 CD ARG A 32 14.177 28.190 -1.230 1.00 26.31 C ATOM 159 NE ARG A 32 14.460 27.225 -2.288 1.00 29.62 N ATOM 160 CZ ARG A 32 15.642 26.643 -2.469 1.00 31.65 C ATOM 161 NH1 ARG A 32 16.656 26.928 -1.662 1.00 33.74 N ATOM 162 NH2 ARG A 32 15.809 25.771 -3.454 1.00 31.69 N ATOM 163 HA ARG A 32 13.638 27.638 3.142 1.00 0.00 H ATOM 164 HB2 ARG A 32 13.346 29.168 1.287 1.00 0.00 H ATOM 165 HB3 ARG A 32 15.101 29.416 1.130 1.00 0.00 H ATOM 166 HG2 ARG A 32 15.349 27.063 0.255 1.00 0.00 H ATOM 167 HG3 ARG A 32 13.591 26.829 0.398 1.00 0.00 H ATOM 168 HD2 ARG A 32 14.848 29.042 -1.340 1.00 0.00 H ATOM 169 HD3 ARG A 32 13.145 28.527 -1.327 1.00 0.00 H ATOM 170 HE ARG A 32 13.689 26.977 -2.941 1.00 0.00 H ATOM 171 HH12 ARG A 32 17.579 26.471 -1.806 1.00 0.00 H ATOM 172 HH11 ARG A 32 16.527 27.608 -0.886 1.00 0.00 H ATOM 173 HH22 ARG A 32 16.734 25.316 -3.595 1.00 0.00 H ATOM 174 HH21 ARG A 32 15.015 25.542 -4.086 1.00 0.00 H ATOM 175 H ARG A 32 15.700 29.688 3.727 1.00 0.00 H ATOM 176 N ARG A 33 15.320 25.866 2.543 1.00 11.89 N ATOM 177 CA ARG A 33 16.328 24.823 2.498 1.00 11.30 C ATOM 178 C ARG A 33 15.882 23.607 1.729 1.00 11.44 C ATOM 179 O ARG A 33 14.689 23.439 1.459 1.00 10.47 O ATOM 180 CB ARG A 33 16.718 24.356 3.921 1.00 10.56 C ATOM 181 CG ARG A 33 15.595 23.489 4.659 1.00 9.85 C ATOM 182 CD ARG A 33 16.054 23.026 6.124 1.00 9.11 C ATOM 183 NE ARG A 33 15.033 22.202 6.777 1.00 10.14 N ATOM 184 CZ ARG A 33 15.085 21.785 8.046 1.00 10.64 C ATOM 185 NH1 ARG A 33 16.115 22.115 8.816 1.00 4.57 N ATOM 186 NH2 ARG A 33 14.105 21.034 8.544 1.00 6.63 N ATOM 187 HA ARG A 33 17.181 25.274 1.990 1.00 0.00 H ATOM 188 HB2 ARG A 33 17.622 23.752 3.847 1.00 0.00 H ATOM 189 HB3 ARG A 33 16.921 25.239 4.527 1.00 0.00 H ATOM 190 HG2 ARG A 33 14.689 24.089 4.748 1.00 0.00 H ATOM 191 HG3 ARG A 33 15.385 22.603 4.060 1.00 0.00 H ATOM 192 HD2 ARG A 33 16.237 23.911 6.733 1.00 0.00 H ATOM 193 HD3 ARG A 33 16.974 22.448 6.040 1.00 0.00 H ATOM 194 HE ARG A 33 14.207 21.921 6.211 1.00 0.00 H ATOM 195 HH12 ARG A 33 16.152 21.789 9.803 1.00 0.00 H ATOM 196 HH11 ARG A 33 16.885 22.700 8.432 1.00 0.00 H ATOM 197 HH22 ARG A 33 14.148 20.711 9.532 1.00 0.00 H ATOM 198 HH21 ARG A 33 13.296 20.770 7.945 1.00 0.00 H ATOM 199 H ARG A 33 14.320 25.619 2.398 1.00 0.00 H ATOM 200 N VAL A 34 16.841 22.768 1.390 1.00 12.88 N ATOM 201 CA VAL A 34 16.542 21.538 0.703 1.00 14.39 C ATOM 202 C VAL A 34 16.839 20.364 1.619 1.00 15.28 C ATOM 203 O VAL A 34 17.981 20.220 2.050 1.00 14.94 O ATOM 204 CB VAL A 34 17.375 21.405 -0.573 1.00 15.58 C ATOM 205 CG1 VAL A 34 16.913 20.197 -1.356 1.00 16.72 C ATOM 206 CG2 VAL A 34 17.261 22.671 -1.395 1.00 17.87 C ATOM 207 HA VAL A 34 15.487 21.545 0.429 1.00 0.00 H ATOM 208 HB VAL A 34 18.425 21.264 -0.316 1.00 0.00 H ATOM 209 HG11 VAL A 34 17.037 19.302 -0.747 1.00 0.00 H ATOM 210 HG12 VAL A 34 15.862 20.316 -1.619 1.00 0.00 H ATOM 211 HG13 VAL A 34 17.508 20.105 -2.264 1.00 0.00 H ATOM 212 HG21 VAL A 34 16.217 22.837 -1.661 1.00 0.00 H ATOM 213 HG22 VAL A 34 17.627 23.516 -0.812 1.00 0.00 H ATOM 214 HG23 VAL A 34 17.857 22.569 -2.302 1.00 0.00 H ATOM 215 H VAL A 34 17.828 22.998 1.622 1.00 0.00 H ATOM 216 N ARG A 35 15.827 19.576 1.953 1.00 16.27 N ATOM 217 CA ARG A 35 16.026 18.424 2.821 1.00 19.30 C ATOM 218 C ARG A 35 15.430 17.180 2.194 1.00 18.59 C ATOM 219 O ARG A 35 14.262 17.203 1.827 1.00 16.94 O ATOM 220 CB ARG A 35 15.397 18.667 4.209 1.00 21.32 C ATOM 221 CG ARG A 35 16.148 17.896 5.386 1.00 27.20 C ATOM 222 CD ARG A 35 15.463 18.163 6.801 1.00 33.43 C ATOM 223 NE ARG A 35 16.372 17.948 7.930 1.00 38.97 N ATOM 224 CZ ARG A 35 17.447 18.696 8.189 1.00 40.52 C ATOM 225 NH1 ARG A 35 17.758 19.714 7.394 1.00 39.47 N ATOM 226 NH2 ARG A 35 18.204 18.436 9.253 1.00 41.52 N ATOM 227 HA ARG A 35 17.099 18.278 2.947 1.00 0.00 H ATOM 228 HB2 ARG A 35 15.427 19.736 4.421 1.00 0.00 H ATOM 229 HB3 ARG A 35 14.360 18.333 4.182 1.00 0.00 H ATOM 230 HG2 ARG A 35 16.124 16.826 5.179 1.00 0.00 H ATOM 231 HG3 ARG A 35 17.183 18.234 5.425 1.00 0.00 H ATOM 232 HD2 ARG A 35 14.612 17.490 6.907 1.00 0.00 H ATOM 233 HD3 ARG A 35 15.114 19.195 6.828 1.00 0.00 H ATOM 234 HE ARG A 35 16.165 17.158 8.574 1.00 0.00 H ATOM 235 HH12 ARG A 35 18.596 20.296 7.597 1.00 0.00 H ATOM 236 HH11 ARG A 35 17.164 19.929 6.568 1.00 0.00 H ATOM 237 HH22 ARG A 35 19.041 19.021 9.451 1.00 0.00 H ATOM 238 HH21 ARG A 35 17.959 17.648 9.886 1.00 0.00 H ATOM 239 H ARG A 35 14.875 19.784 1.589 1.00 0.00 H ATOM 240 N LYS A 36 16.208 16.118 2.062 1.00 19.30 N ATOM 241 CA LYS A 36 15.679 14.945 1.406 1.00 21.53 C ATOM 242 C LYS A 36 15.142 15.260 0.015 1.00 20.13 C ATOM 243 O LYS A 36 14.026 14.857 -0.303 1.00 21.28 O ATOM 244 CB LYS A 36 14.568 14.289 2.261 1.00 22.05 C ATOM 245 CG LYS A 36 15.156 13.361 3.415 1.00 26.09 C ATOM 246 CD LYS A 36 14.007 12.667 4.272 1.00 31.27 C ATOM 247 CE LYS A 36 13.580 13.533 5.529 1.00 35.81 C ATOM 248 NZ LYS A 36 14.697 13.518 6.514 1.00 39.88 N ATOM 249 HA LYS A 36 16.507 14.245 1.296 1.00 0.00 H ATOM 250 HB2 LYS A 36 13.966 15.076 2.717 1.00 0.00 H ATOM 251 HB3 LYS A 36 13.938 13.682 1.611 1.00 0.00 H ATOM 252 HG2 LYS A 36 15.774 12.586 2.962 1.00 0.00 H ATOM 253 HG3 LYS A 36 15.769 13.971 4.078 1.00 0.00 H ATOM 254 HD2 LYS A 36 13.135 12.522 3.635 1.00 0.00 H ATOM 255 HD3 LYS A 36 14.367 11.699 4.620 1.00 0.00 H ATOM 256 HE2 LYS A 36 12.684 13.108 5.982 1.00 0.00 H ATOM 257 HE3 LYS A 36 13.377 14.558 5.218 1.00 0.00 H ATOM 258 HZ1 LYS A 36 14.888 12.538 6.805 1.00 0.00 H ATOM 259 HZ2 LYS A 36 15.549 13.923 6.076 1.00 0.00 H ATOM 260 HZ3 LYS A 36 14.432 14.083 7.346 1.00 0.00 H ATOM 261 H LYS A 36 17.183 16.128 2.424 1.00 0.00 H ATOM 262 N GLY A 37 15.926 15.982 -0.784 1.00 19.02 N ATOM 263 CA GLY A 37 15.517 16.335 -2.138 1.00 19.56 C ATOM 264 C GLY A 37 14.226 17.131 -2.195 1.00 20.29 C ATOM 265 O GLY A 37 13.699 17.421 -3.275 1.00 19.22 O ATOM 266 HA3 GLY A 37 15.381 15.416 -2.708 1.00 0.00 H ATOM 267 HA2 GLY A 37 16.309 16.929 -2.594 1.00 0.00 H ATOM 268 H GLY A 37 16.852 16.301 -0.434 1.00 0.00 H ATOM 269 N MET A 38 13.735 17.505 -1.017 1.00 20.01 N ATOM 270 CA MET A 38 12.498 18.256 -0.873 1.00 20.60 C ATOM 271 C MET A 38 12.712 19.693 -0.417 1.00 19.92 C ATOM 272 O MET A 38 13.418 19.915 0.568 1.00 19.27 O ATOM 273 CB MET A 38 11.590 17.520 0.137 1.00 25.69 C ATOM 274 CG MET A 38 10.232 18.245 0.514 1.00 32.75 C ATOM 275 SD MET A 38 8.885 18.039 -0.685 1.00 42.07 S ATOM 276 CE MET A 38 9.209 19.394 -1.870 1.00 40.02 C ATOM 277 HA MET A 38 12.033 18.313 -1.857 1.00 0.00 H ATOM 278 HB2 MET A 38 11.341 16.547 -0.286 1.00 0.00 H ATOM 279 HB3 MET A 38 12.159 17.380 1.056 1.00 0.00 H ATOM 280 HG2 MET A 38 10.435 19.311 0.613 1.00 0.00 H ATOM 281 HG3 MET A 38 9.894 17.850 1.472 1.00 0.00 H ATOM 282 HE1 MET A 38 9.170 20.349 -1.347 1.00 0.00 H ATOM 283 HE2 MET A 38 10.196 19.260 -2.312 1.00 0.00 H ATOM 284 HE3 MET A 38 8.453 19.377 -2.655 1.00 0.00 H ATOM 285 H MET A 38 14.261 17.248 -0.157 1.00 0.00 H ATOM 286 N VAL A 39 12.128 20.653 -1.122 1.00 17.40 N ATOM 287 CA VAL A 39 12.267 22.040 -0.720 1.00 15.04 C ATOM 288 C VAL A 39 11.411 22.381 0.488 1.00 12.56 C ATOM 289 O VAL A 39 10.233 22.009 0.508 1.00 11.07 O ATOM 290 CB VAL A 39 11.895 22.992 -1.861 1.00 15.23 C ATOM 291 CG1 VAL A 39 11.855 24.417 -1.339 1.00 15.00 C ATOM 292 CG2 VAL A 39 12.906 22.875 -2.995 1.00 15.31 C ATOM 293 HA VAL A 39 13.317 22.168 -0.456 1.00 0.00 H ATOM 294 HB VAL A 39 10.911 22.723 -2.246 1.00 0.00 H ATOM 295 HG11 VAL A 39 11.111 24.491 -0.546 1.00 0.00 H ATOM 296 HG12 VAL A 39 12.835 24.686 -0.946 1.00 0.00 H ATOM 297 HG13 VAL A 39 11.590 25.093 -2.152 1.00 0.00 H ATOM 298 HG21 VAL A 39 13.898 23.133 -2.624 1.00 0.00 H ATOM 299 HG22 VAL A 39 12.912 21.852 -3.371 1.00 0.00 H ATOM 300 HG23 VAL A 39 12.629 23.557 -3.799 1.00 0.00 H ATOM 301 H VAL A 39 11.569 20.411 -1.965 1.00 0.00 H ATOM 302 N GLU A 40 11.993 23.054 1.477 1.00 10.84 N ATOM 303 CA GLU A 40 11.254 23.428 2.684 1.00 10.47 C ATOM 304 C GLU A 40 11.337 24.891 3.044 1.00 9.59 C ATOM 305 O GLU A 40 12.385 25.516 2.850 1.00 6.51 O ATOM 306 CB GLU A 40 11.741 22.634 3.904 1.00 9.56 C ATOM 307 CG GLU A 40 11.544 21.067 3.800 1.00 11.61 C ATOM 308 CD GLU A 40 11.793 20.379 5.116 1.00 12.34 C ATOM 309 OE1 GLU A 40 12.767 20.755 5.818 1.00 11.49 O ATOM 310 OE2 GLU A 40 11.021 19.449 5.443 1.00 14.12 O ATOM 311 HA GLU A 40 10.218 23.196 2.437 1.00 0.00 H ATOM 312 HB2 GLU A 40 12.804 22.834 4.036 1.00 0.00 H ATOM 313 HB3 GLU A 40 11.195 22.987 4.779 1.00 0.00 H ATOM 314 HG2 GLU A 40 10.522 20.861 3.482 1.00 0.00 H ATOM 315 HG3 GLU A 40 12.240 20.673 3.059 1.00 0.00 H ATOM 316 H GLU A 40 12.995 23.320 1.391 1.00 0.00 H ATOM 317 N TYR A 41 10.250 25.414 3.593 1.00 8.86 N ATOM 318 CA TYR A 41 10.215 26.805 3.996 1.00 10.83 C ATOM 319 C TYR A 41 10.042 26.988 5.492 1.00 11.83 C ATOM 320 O TYR A 41 9.142 26.380 6.081 1.00 9.61 O ATOM 321 CB TYR A 41 9.088 27.556 3.242 1.00 10.00 C ATOM 322 CG TYR A 41 9.363 27.747 1.759 1.00 13.25 C ATOM 323 CD1 TYR A 41 10.391 28.583 1.321 1.00 13.83 C ATOM 324 CD2 TYR A 41 8.585 27.099 0.794 1.00 14.67 C ATOM 325 CE1 TYR A 41 10.642 28.774 -0.046 1.00 14.20 C ATOM 326 CE2 TYR A 41 8.825 27.282 -0.579 1.00 15.22 C ATOM 327 CZ TYR A 41 9.857 28.124 -0.989 1.00 15.30 C ATOM 328 OH TYR A 41 10.097 28.315 -2.336 1.00 14.74 O ATOM 329 HA TYR A 41 11.185 27.227 3.733 1.00 0.00 H ATOM 330 HB3 TYR A 41 8.964 28.538 3.698 1.00 0.00 H ATOM 331 HB2 TYR A 41 8.164 26.988 3.350 1.00 0.00 H ATOM 332 HD2 TYR A 41 7.777 26.440 1.113 1.00 0.00 H ATOM 333 HE2 TYR A 41 8.209 26.769 -1.317 1.00 0.00 H ATOM 334 HE1 TYR A 41 11.451 29.431 -0.367 1.00 0.00 H ATOM 335 HD1 TYR A 41 11.011 29.098 2.055 1.00 0.00 H ATOM 336 HH TYR A 41 10.859 28.937 -2.449 1.00 0.00 H ATOM 337 H TYR A 41 9.410 24.817 3.737 1.00 0.00 H ATOM 338 N TYR A 42 10.923 27.775 6.098 1.00 12.20 N ATOM 339 CA TYR A 42 10.811 28.048 7.520 1.00 14.79 C ATOM 340 C TYR A 42 9.863 29.209 7.713 1.00 14.68 C ATOM 341 O TYR A 42 10.247 30.340 7.458 1.00 16.08 O ATOM 342 CB TYR A 42 12.175 28.409 8.116 1.00 14.30 C ATOM 343 CG TYR A 42 12.172 28.451 9.625 1.00 16.57 C ATOM 344 CD1 TYR A 42 11.920 27.300 10.365 1.00 18.45 C ATOM 345 CD2 TYR A 42 12.454 29.627 10.315 1.00 18.31 C ATOM 346 CE1 TYR A 42 11.953 27.312 11.753 1.00 19.33 C ATOM 347 CE2 TYR A 42 12.489 29.651 11.716 1.00 19.79 C ATOM 348 CZ TYR A 42 12.238 28.487 12.423 1.00 19.32 C ATOM 349 OH TYR A 42 12.278 28.482 13.798 1.00 19.23 O ATOM 350 HA TYR A 42 10.439 27.157 8.025 1.00 0.00 H ATOM 351 HB3 TYR A 42 12.468 29.390 7.742 1.00 0.00 H ATOM 352 HB2 TYR A 42 12.903 27.666 7.791 1.00 0.00 H ATOM 353 HD2 TYR A 42 12.650 30.543 9.757 1.00 0.00 H ATOM 354 HE2 TYR A 42 12.712 30.578 12.244 1.00 0.00 H ATOM 355 HE1 TYR A 42 11.755 26.398 12.313 1.00 0.00 H ATOM 356 HD1 TYR A 42 11.692 26.370 9.844 1.00 0.00 H ATOM 357 HH TYR A 42 13.181 28.751 14.102 1.00 0.00 H ATOM 358 H TYR A 42 11.699 28.199 5.550 1.00 0.00 H ATOM 359 N LEU A 43 8.643 28.951 8.138 1.00 14.92 N ATOM 360 CA LEU A 43 7.728 30.049 8.259 1.00 16.44 C ATOM 361 C LEU A 43 7.195 30.371 9.625 1.00 17.27 C ATOM 362 O LEU A 43 7.260 29.552 10.555 1.00 16.80 O ATOM 363 CB LEU A 43 6.533 29.840 7.303 1.00 18.36 C ATOM 364 CG LEU A 43 6.174 28.402 6.871 1.00 15.63 C ATOM 365 CD1 LEU A 43 4.679 28.148 6.979 1.00 15.65 C ATOM 366 CD2 LEU A 43 6.612 28.218 5.447 1.00 18.42 C ATOM 367 HA LEU A 43 8.344 30.910 8.000 1.00 0.00 H ATOM 368 HB2 LEU A 43 5.653 30.258 7.792 1.00 0.00 H ATOM 369 HB3 LEU A 43 6.745 30.405 6.395 1.00 0.00 H ATOM 370 HG LEU A 43 6.679 27.695 7.529 1.00 0.00 H ATOM 371 HD21 LEU A 43 6.097 28.940 4.814 1.00 0.00 H ATOM 372 HD22 LEU A 43 7.689 28.374 5.376 1.00 0.00 H ATOM 373 HD23 LEU A 43 6.368 27.207 5.121 1.00 0.00 H ATOM 374 HD11 LEU A 43 4.361 28.289 8.012 1.00 0.00 H ATOM 375 HD12 LEU A 43 4.146 28.847 6.335 1.00 0.00 H ATOM 376 HD13 LEU A 43 4.462 27.126 6.667 1.00 0.00 H ATOM 377 H LEU A 43 8.352 27.982 8.378 1.00 0.00 H ATOM 378 N LYS A 44 6.692 31.590 9.741 1.00 15.96 N ATOM 379 CA LYS A 44 6.076 31.987 10.968 1.00 15.69 C ATOM 380 C LYS A 44 4.592 32.169 10.773 1.00 15.32 C ATOM 381 O LYS A 44 4.169 32.735 9.759 1.00 12.27 O ATOM 382 CB LYS A 44 6.707 33.254 11.557 1.00 18.39 C ATOM 383 CG LYS A 44 5.669 34.424 11.771 1.00 18.72 C ATOM 384 CD LYS A 44 6.372 35.661 12.441 1.00 20.12 C ATOM 385 CE LYS A 44 6.227 35.481 14.018 1.00 19.53 C ATOM 386 NZ LYS A 44 4.785 35.343 14.380 1.00 13.41 N ATOM 387 HA LYS A 44 6.245 31.187 11.689 1.00 0.00 H ATOM 388 HB2 LYS A 44 7.151 33.004 12.520 1.00 0.00 H ATOM 389 HB3 LYS A 44 7.486 33.601 10.878 1.00 0.00 H ATOM 390 HG2 LYS A 44 5.259 34.722 10.806 1.00 0.00 H ATOM 391 HG3 LYS A 44 4.862 34.076 12.416 1.00 0.00 H ATOM 392 HD2 LYS A 44 7.425 35.690 12.162 1.00 0.00 H ATOM 393 HD3 LYS A 44 5.888 36.585 12.123 1.00 0.00 H ATOM 394 HE2 LYS A 44 6.645 36.352 14.522 1.00 0.00 H ATOM 395 HE3 LYS A 44 6.766 34.587 14.332 1.00 0.00 H ATOM 396 HZ1 LYS A 44 4.271 36.196 14.082 1.00 0.00 H ATOM 397 HZ2 LYS A 44 4.386 34.511 13.900 1.00 0.00 H ATOM 398 HZ3 LYS A 44 4.697 35.226 15.410 1.00 0.00 H ATOM 399 H LYS A 44 6.745 32.255 8.943 1.00 0.00 H ATOM 400 N TRP A 45 3.816 31.659 11.716 1.00 14.62 N ATOM 401 CA TRP A 45 2.377 31.741 11.613 1.00 16.08 C ATOM 402 C TRP A 45 1.807 32.962 12.311 1.00 17.12 C ATOM 403 O TRP A 45 2.225 33.264 13.432 1.00 17.53 O ATOM 404 CB TRP A 45 1.742 30.441 12.179 1.00 15.78 C ATOM 405 CG TRP A 45 2.489 29.177 11.790 1.00 16.01 C ATOM 406 CD1 TRP A 45 3.578 28.622 12.430 1.00 14.59 C ATOM 407 CD2 TRP A 45 2.215 28.325 10.665 1.00 17.31 C ATOM 408 NE1 TRP A 45 3.990 27.483 11.771 1.00 13.80 N ATOM 409 CE2 TRP A 45 3.180 27.282 10.683 1.00 15.44 C ATOM 410 CE3 TRP A 45 1.255 28.347 9.634 1.00 17.98 C ATOM 411 CZ2 TRP A 45 3.207 26.269 9.721 1.00 15.61 C ATOM 412 CZ3 TRP A 45 1.283 27.327 8.670 1.00 18.24 C ATOM 413 CH2 TRP A 45 2.259 26.308 8.723 1.00 16.22 C ATOM 414 HA TRP A 45 2.128 31.846 10.557 1.00 0.00 H ATOM 415 HB2 TRP A 45 1.726 30.511 13.267 1.00 0.00 H ATOM 416 HB3 TRP A 45 0.721 30.366 11.806 1.00 0.00 H ATOM 417 HE1 TRP A 45 4.785 26.875 12.053 1.00 0.00 H ATOM 418 HD1 TRP A 45 4.046 29.026 13.328 1.00 0.00 H ATOM 419 HZ2 TRP A 45 3.953 25.475 9.759 1.00 0.00 H ATOM 420 HH2 TRP A 45 2.262 25.534 7.956 1.00 0.00 H ATOM 421 HZ3 TRP A 45 0.542 27.322 7.871 1.00 0.00 H ATOM 422 HE3 TRP A 45 0.507 29.139 9.586 1.00 0.00 H ATOM 423 H TRP A 45 4.247 31.194 12.540 1.00 0.00 H ATOM 424 N LYS A 46 0.902 33.678 11.658 1.00 17.56 N ATOM 425 CA LYS A 46 0.330 34.838 12.310 1.00 19.83 C ATOM 426 C LYS A 46 -0.448 34.453 13.550 1.00 16.50 C ATOM 427 O LYS A 46 -1.123 33.419 13.539 1.00 15.38 O ATOM 428 CB LYS A 46 -0.577 35.643 11.339 1.00 22.54 C ATOM 429 CG LYS A 46 -1.772 34.809 10.706 1.00 28.92 C ATOM 430 CD LYS A 46 -2.640 35.725 9.726 1.00 35.61 C ATOM 431 CE LYS A 46 -3.842 36.445 10.488 1.00 38.04 C ATOM 432 NZ LYS A 46 -4.913 35.475 10.910 1.00 40.76 N ATOM 433 HA LYS A 46 1.162 35.474 12.613 1.00 0.00 H ATOM 434 HB2 LYS A 46 -1.002 36.483 11.888 1.00 0.00 H ATOM 435 HB3 LYS A 46 0.044 36.019 10.526 1.00 0.00 H ATOM 436 HG2 LYS A 46 -1.364 33.969 10.144 1.00 0.00 H ATOM 437 HG3 LYS A 46 -2.411 34.434 11.506 1.00 0.00 H ATOM 438 HD2 LYS A 46 -1.993 36.486 9.290 1.00 0.00 H ATOM 439 HD3 LYS A 46 -3.050 35.101 8.932 1.00 0.00 H ATOM 440 HE2 LYS A 46 -4.283 37.188 9.824 1.00 0.00 H ATOM 441 HE3 LYS A 46 -3.448 36.941 11.375 1.00 0.00 H ATOM 442 HZ1 LYS A 46 -5.301 35.002 10.069 1.00 0.00 H ATOM 443 HZ2 LYS A 46 -4.503 34.765 11.551 1.00 0.00 H ATOM 444 HZ3 LYS A 46 -5.672 35.990 11.401 1.00 0.00 H ATOM 445 H LYS A 46 0.609 33.412 10.696 1.00 0.00 H ATOM 446 N GLY A 47 -0.328 35.252 14.603 1.00 15.66 N ATOM 447 CA GLY A 47 -1.041 34.960 15.834 1.00 16.22 C ATOM 448 C GLY A 47 -0.308 34.004 16.757 1.00 16.09 C ATOM 449 O GLY A 47 -0.742 33.797 17.886 1.00 17.99 O ATOM 450 HA3 GLY A 47 -2.004 34.519 15.577 1.00 0.00 H ATOM 451 HA2 GLY A 47 -1.203 35.897 16.368 1.00 0.00 H ATOM 452 H GLY A 47 0.281 36.093 14.546 1.00 0.00 H ATOM 453 N TYR A 48 0.787 33.410 16.281 1.00 14.70 N ATOM 454 CA TYR A 48 1.569 32.487 17.095 1.00 13.39 C ATOM 455 C TYR A 48 2.957 33.009 17.401 1.00 14.90 C ATOM 456 O TYR A 48 3.489 33.796 16.625 1.00 16.37 O ATOM 457 CB TYR A 48 1.682 31.118 16.409 1.00 12.62 C ATOM 458 CG TYR A 48 0.361 30.400 16.265 1.00 12.94 C ATOM 459 CD1 TYR A 48 -0.640 30.892 15.423 1.00 12.38 C ATOM 460 CD2 TYR A 48 0.094 29.241 17.000 1.00 12.35 C ATOM 461 CE1 TYR A 48 -1.875 30.246 15.324 1.00 12.02 C ATOM 462 CE2 TYR A 48 -1.134 28.592 16.908 1.00 11.03 C ATOM 463 CZ TYR A 48 -2.108 29.100 16.074 1.00 12.30 C ATOM 464 OH TYR A 48 -3.325 28.474 15.990 1.00 12.14 O ATOM 465 HA TYR A 48 1.035 32.386 18.040 1.00 0.00 H ATOM 466 HB3 TYR A 48 2.352 30.492 16.998 1.00 0.00 H ATOM 467 HB2 TYR A 48 2.104 31.265 15.415 1.00 0.00 H ATOM 468 HD2 TYR A 48 0.863 28.837 17.659 1.00 0.00 H ATOM 469 HE2 TYR A 48 -1.324 27.690 17.490 1.00 0.00 H ATOM 470 HE1 TYR A 48 -2.649 30.638 14.664 1.00 0.00 H ATOM 471 HD1 TYR A 48 -0.455 31.791 14.836 1.00 0.00 H ATOM 472 HH TYR A 48 -3.903 28.963 15.352 1.00 0.00 H ATOM 473 H TYR A 48 1.090 33.610 15.306 1.00 0.00 H ATOM 474 N PRO A 49 3.566 32.576 18.515 1.00 16.51 N ATOM 475 CA PRO A 49 4.906 33.067 18.845 1.00 16.97 C ATOM 476 C PRO A 49 5.997 32.519 17.933 1.00 18.42 C ATOM 477 O PRO A 49 5.794 31.475 17.293 1.00 16.77 O ATOM 478 CB PRO A 49 5.089 32.615 20.309 1.00 16.19 C ATOM 479 CG PRO A 49 3.671 32.504 20.804 1.00 16.01 C ATOM 480 CD PRO A 49 2.995 31.839 19.653 1.00 15.57 C ATOM 481 HA PRO A 49 4.994 34.145 18.709 1.00 0.00 H ATOM 482 HD3 PRO A 49 3.241 30.778 19.605 1.00 0.00 H ATOM 483 HD2 PRO A 49 1.913 31.958 19.703 1.00 0.00 H ATOM 484 HG3 PRO A 49 3.242 33.486 21.003 1.00 0.00 H ATOM 485 HG2 PRO A 49 3.612 31.894 21.705 1.00 0.00 H ATOM 486 HB2 PRO A 49 5.600 31.654 20.362 1.00 0.00 H ATOM 487 HB3 PRO A 49 5.648 33.355 20.882 1.00 0.00 H ATOM 488 N GLU A 50 7.123 33.223 17.852 1.00 19.51 N ATOM 489 CA GLU A 50 8.233 32.758 17.030 1.00 21.06 C ATOM 490 C GLU A 50 8.640 31.336 17.387 1.00 20.55 C ATOM 491 O GLU A 50 9.098 30.605 16.509 1.00 18.83 O ATOM 492 CB GLU A 50 9.452 33.686 17.200 1.00 24.81 C ATOM 493 CG GLU A 50 9.381 35.033 16.355 1.00 31.70 C ATOM 494 CD GLU A 50 10.387 35.044 15.215 1.00 36.51 C ATOM 495 OE1 GLU A 50 11.615 35.017 15.504 1.00 40.03 O ATOM 496 OE2 GLU A 50 9.954 35.070 14.032 1.00 35.24 O ATOM 497 HA GLU A 50 7.895 32.773 15.994 1.00 0.00 H ATOM 498 HB2 GLU A 50 9.535 33.950 18.254 1.00 0.00 H ATOM 499 HB3 GLU A 50 10.343 33.138 16.893 1.00 0.00 H ATOM 500 HG2 GLU A 50 8.378 35.136 15.941 1.00 0.00 H ATOM 501 HG3 GLU A 50 9.588 35.875 17.016 1.00 0.00 H ATOM 502 H GLU A 50 7.212 34.114 18.381 1.00 0.00 H ATOM 503 N THR A 51 8.479 30.960 18.655 1.00 19.55 N ATOM 504 CA THR A 51 8.839 29.617 19.096 1.00 18.71 C ATOM 505 C THR A 51 8.052 28.555 18.367 1.00 17.20 C ATOM 506 O THR A 51 8.439 27.395 18.415 1.00 16.02 O ATOM 507 CB THR A 51 8.582 29.399 20.608 1.00 19.45 C ATOM 508 OG1 THR A 51 7.201 29.651 20.901 1.00 19.72 O ATOM 509 CG2 THR A 51 9.464 30.308 21.446 1.00 19.78 C ATOM 510 HA THR A 51 9.904 29.530 18.879 1.00 0.00 H ATOM 511 HB THR A 51 8.826 28.366 20.856 1.00 0.00 H ATOM 512 HG1 THR A 51 7.039 29.511 21.868 1.00 0.00 H ATOM 513 HG23 THR A 51 10.511 30.109 21.216 1.00 0.00 H ATOM 514 HG21 THR A 51 9.232 31.348 21.218 1.00 0.00 H ATOM 515 HG22 THR A 51 9.280 30.117 22.503 1.00 0.00 H ATOM 516 H THR A 51 8.090 31.636 19.343 1.00 0.00 H ATOM 517 N GLU A 52 6.964 28.964 17.723 1.00 14.47 N ATOM 518 CA GLU A 52 6.118 28.045 16.988 1.00 14.06 C ATOM 519 C GLU A 52 6.513 27.910 15.529 1.00 13.81 C ATOM 520 O GLU A 52 5.901 27.123 14.802 1.00 13.28 O ATOM 521 CB GLU A 52 4.644 28.480 17.066 1.00 13.72 C ATOM 522 CG GLU A 52 3.985 28.309 18.506 1.00 17.09 C ATOM 523 CD GLU A 52 4.079 26.886 19.018 1.00 19.78 C ATOM 524 OE1 GLU A 52 4.142 25.957 18.188 1.00 20.77 O ATOM 525 OE2 GLU A 52 4.073 26.696 20.249 1.00 22.68 O ATOM 526 HA GLU A 52 6.252 27.073 17.462 1.00 0.00 H ATOM 527 HB2 GLU A 52 4.583 29.531 16.785 1.00 0.00 H ATOM 528 HB3 GLU A 52 4.073 27.882 16.356 1.00 0.00 H ATOM 529 HG2 GLU A 52 4.498 28.968 19.207 1.00 0.00 H ATOM 530 HG3 GLU A 52 2.934 28.591 18.446 1.00 0.00 H ATOM 531 H GLU A 52 6.712 29.973 17.747 1.00 0.00 H ATOM 532 N ASN A 53 7.511 28.672 15.102 1.00 12.94 N ATOM 533 CA ASN A 53 7.938 28.573 13.728 1.00 13.55 C ATOM 534 C ASN A 53 8.290 27.153 13.355 1.00 13.55 C ATOM 535 O ASN A 53 8.871 26.446 14.170 1.00 15.15 O ATOM 536 CB ASN A 53 9.145 29.483 13.467 1.00 12.60 C ATOM 537 CG ASN A 53 8.803 30.944 13.610 1.00 12.10 C ATOM 538 OD1 ASN A 53 7.641 31.309 13.777 1.00 11.25 O ATOM 539 ND2 ASN A 53 9.813 31.789 13.540 1.00 11.94 N ATOM 540 HA ASN A 53 7.101 28.895 13.109 1.00 0.00 H ATOM 541 HB2 ASN A 53 9.931 29.236 14.180 1.00 0.00 H ATOM 542 HB3 ASN A 53 9.506 29.305 12.454 1.00 0.00 H ATOM 543 HD22 ASN A 53 10.780 31.433 13.398 1.00 0.00 H ATOM 544 HD21 ASN A 53 9.643 32.811 13.627 1.00 0.00 H ATOM 545 H ASN A 53 7.981 29.334 15.752 1.00 0.00 H ATOM 546 N THR A 54 7.917 26.728 12.161 1.00 12.92 N ATOM 547 CA THR A 54 8.242 25.382 11.750 1.00 13.65 C ATOM 548 C THR A 54 8.632 25.281 10.301 1.00 13.75 C ATOM 549 O THR A 54 8.225 26.123 9.495 1.00 13.54 O ATOM 550 CB THR A 54 7.057 24.418 11.960 1.00 13.91 C ATOM 551 OG1 THR A 54 5.976 24.818 11.112 1.00 12.62 O ATOM 552 CG2 THR A 54 6.592 24.426 13.423 1.00 11.60 C ATOM 553 HA THR A 54 9.090 25.105 12.377 1.00 0.00 H ATOM 554 HB THR A 54 7.379 23.407 11.711 1.00 0.00 H ATOM 555 HG1 THR A 54 5.211 24.203 11.242 1.00 0.00 H ATOM 556 HG23 THR A 54 7.417 24.121 14.067 1.00 0.00 H ATOM 557 HG21 THR A 54 6.270 25.431 13.695 1.00 0.00 H ATOM 558 HG22 THR A 54 5.760 23.732 13.542 1.00 0.00 H ATOM 559 H THR A 54 7.393 27.358 11.521 1.00 0.00 H ATOM 560 N TRP A 55 9.435 24.276 9.991 1.00 13.00 N ATOM 561 CA TRP A 55 9.824 24.018 8.627 1.00 11.90 C ATOM 562 C TRP A 55 8.742 23.226 7.937 1.00 11.25 C ATOM 563 O TRP A 55 8.353 22.182 8.458 1.00 11.27 O ATOM 564 CB TRP A 55 11.115 23.187 8.574 1.00 11.73 C ATOM 565 CG TRP A 55 12.354 23.928 8.887 1.00 10.12 C ATOM 566 CD1 TRP A 55 13.041 23.921 10.065 1.00 9.99 C ATOM 567 CD2 TRP A 55 13.099 24.759 7.991 1.00 9.17 C ATOM 568 NE1 TRP A 55 14.170 24.694 9.956 1.00 10.22 N ATOM 569 CE2 TRP A 55 14.228 25.222 8.690 1.00 10.14 C ATOM 570 CE3 TRP A 55 12.914 25.160 6.660 1.00 10.46 C ATOM 571 CZ2 TRP A 55 15.184 26.065 8.103 1.00 10.41 C ATOM 572 CZ3 TRP A 55 13.864 25.999 6.074 1.00 10.55 C ATOM 573 CH2 TRP A 55 14.982 26.442 6.797 1.00 11.18 C ATOM 574 HA TRP A 55 9.983 24.978 8.136 1.00 0.00 H ATOM 575 HB2 TRP A 55 11.020 22.370 9.290 1.00 0.00 H ATOM 576 HB3 TRP A 55 11.212 22.778 7.568 1.00 0.00 H ATOM 577 HE1 TRP A 55 14.868 24.854 10.710 1.00 0.00 H ATOM 578 HD1 TRP A 55 12.738 23.381 10.962 1.00 0.00 H ATOM 579 HZ2 TRP A 55 16.054 26.408 8.662 1.00 0.00 H ATOM 580 HH2 TRP A 55 15.705 27.099 6.313 1.00 0.00 H ATOM 581 HZ3 TRP A 55 13.735 26.315 5.039 1.00 0.00 H ATOM 582 HE3 TRP A 55 12.046 24.823 6.094 1.00 0.00 H ATOM 583 H TRP A 55 9.793 23.659 10.748 1.00 0.00 H ATOM 584 N GLU A 56 8.248 23.713 6.810 1.00 11.26 N ATOM 585 CA GLU A 56 7.218 23.003 6.064 1.00 10.44 C ATOM 586 C GLU A 56 7.641 22.777 4.626 1.00 10.77 C ATOM 587 O GLU A 56 8.212 23.687 4.025 1.00 12.26 O ATOM 588 CB GLU A 56 5.898 23.800 6.053 1.00 8.78 C ATOM 589 CG GLU A 56 5.281 24.144 7.479 1.00 11.96 C ATOM 590 CD GLU A 56 4.970 22.902 8.288 1.00 14.62 C ATOM 591 OE1 GLU A 56 4.703 21.845 7.672 1.00 13.80 O ATOM 592 OE2 GLU A 56 4.973 22.989 9.536 1.00 12.76 O ATOM 593 HA GLU A 56 7.072 22.044 6.561 1.00 0.00 H ATOM 594 HB2 GLU A 56 6.080 24.740 5.532 1.00 0.00 H ATOM 595 HB3 GLU A 56 5.160 23.217 5.502 1.00 0.00 H ATOM 596 HG2 GLU A 56 5.996 24.753 8.032 1.00 0.00 H ATOM 597 HG3 GLU A 56 4.360 24.708 7.335 1.00 0.00 H ATOM 598 H GLU A 56 8.603 24.622 6.449 1.00 0.00 H ATOM 599 N PRO A 57 7.400 21.583 4.071 1.00 10.97 N ATOM 600 CA PRO A 57 7.783 21.324 2.679 1.00 9.71 C ATOM 601 C PRO A 57 6.939 22.214 1.778 1.00 9.34 C ATOM 602 O PRO A 57 5.792 22.490 2.134 1.00 9.71 O ATOM 603 CB PRO A 57 7.458 19.838 2.502 1.00 9.93 C ATOM 604 CG PRO A 57 6.287 19.647 3.414 1.00 9.63 C ATOM 605 CD PRO A 57 6.715 20.417 4.655 1.00 10.15 C ATOM 606 HA PRO A 57 8.824 21.536 2.435 1.00 0.00 H ATOM 607 HD3 PRO A 57 5.854 20.720 5.250 1.00 0.00 H ATOM 608 HD2 PRO A 57 7.392 19.828 5.273 1.00 0.00 H ATOM 609 HG3 PRO A 57 6.129 18.592 3.638 1.00 0.00 H ATOM 610 HG2 PRO A 57 5.378 20.066 2.983 1.00 0.00 H ATOM 611 HB2 PRO A 57 7.193 19.614 1.469 1.00 0.00 H ATOM 612 HB3 PRO A 57 8.298 19.213 2.804 1.00 0.00 H ATOM 613 N GLU A 58 7.477 22.659 0.648 1.00 9.87 N ATOM 614 CA GLU A 58 6.727 23.543 -0.241 1.00 11.07 C ATOM 615 C GLU A 58 5.313 23.068 -0.577 1.00 10.60 C ATOM 616 O GLU A 58 4.428 23.911 -0.720 1.00 6.43 O ATOM 617 CB GLU A 58 7.531 23.788 -1.532 1.00 14.59 C ATOM 618 CG GLU A 58 7.637 22.532 -2.503 1.00 20.58 C ATOM 619 CD GLU A 58 8.482 22.845 -3.728 1.00 24.39 C ATOM 620 OE1 GLU A 58 8.303 23.948 -4.300 1.00 26.31 O ATOM 621 OE2 GLU A 58 9.313 21.992 -4.122 1.00 28.05 O ATOM 622 HA GLU A 58 6.591 24.473 0.311 1.00 0.00 H ATOM 623 HB2 GLU A 58 7.054 24.601 -2.080 1.00 0.00 H ATOM 624 HB3 GLU A 58 8.541 24.085 -1.251 1.00 0.00 H ATOM 625 HG2 GLU A 58 8.091 21.702 -1.961 1.00 0.00 H ATOM 626 HG3 GLU A 58 6.635 22.248 -2.826 1.00 0.00 H ATOM 627 H GLU A 58 8.444 22.375 0.393 1.00 0.00 H ATOM 628 N ASN A 59 5.109 21.753 -0.687 1.00 11.81 N ATOM 629 CA ASN A 59 3.792 21.191 -0.993 1.00 12.32 C ATOM 630 C ASN A 59 2.743 21.480 0.077 1.00 13.10 C ATOM 631 O ASN A 59 1.553 21.323 -0.195 1.00 14.06 O ATOM 632 CB ASN A 59 3.888 19.655 -1.207 1.00 14.51 C ATOM 633 CG ASN A 59 4.558 18.944 -0.046 1.00 13.82 C ATOM 634 OD1 ASN A 59 5.755 19.109 0.191 1.00 13.96 O ATOM 635 ND2 ASN A 59 3.786 18.149 0.687 1.00 13.96 N ATOM 636 HA ASN A 59 3.467 21.684 -1.909 1.00 0.00 H ATOM 637 HB2 ASN A 59 2.881 19.255 -1.327 1.00 0.00 H ATOM 638 HB3 ASN A 59 4.464 19.464 -2.113 1.00 0.00 H ATOM 639 HD22 ASN A 59 2.779 18.039 0.450 1.00 0.00 H ATOM 640 HD21 ASN A 59 4.188 17.636 1.497 1.00 0.00 H ATOM 641 H ASN A 59 5.912 21.107 -0.551 1.00 0.00 H ATOM 642 N ASN A 60 3.178 21.874 1.272 1.00 12.23 N ATOM 643 CA ASN A 60 2.252 22.203 2.353 1.00 11.41 C ATOM 644 C ASN A 60 1.778 23.642 2.300 1.00 12.32 C ATOM 645 O ASN A 60 0.816 24.000 2.988 1.00 12.71 O ATOM 646 CB ASN A 60 2.907 21.958 3.719 1.00 11.36 C ATOM 647 CG ASN A 60 2.687 20.538 4.231 1.00 14.75 C ATOM 648 OD1 ASN A 60 2.182 19.668 3.512 1.00 13.34 O ATOM 649 ND2 ASN A 60 3.071 20.299 5.483 1.00 13.41 N ATOM 650 HA ASN A 60 1.388 21.551 2.220 1.00 0.00 H ATOM 651 HB2 ASN A 60 3.979 22.134 3.629 1.00 0.00 H ATOM 652 HB3 ASN A 60 2.484 22.658 4.439 1.00 0.00 H ATOM 653 HD22 ASN A 60 3.492 21.061 6.052 1.00 0.00 H ATOM 654 HD21 ASN A 60 2.950 19.350 5.892 1.00 0.00 H ATOM 655 H ASN A 60 4.202 21.949 1.440 1.00 0.00 H ATOM 656 N LEU A 61 2.437 24.464 1.496 1.00 11.92 N ATOM 657 CA LEU A 61 2.042 25.862 1.420 1.00 14.13 C ATOM 658 C LEU A 61 1.044 26.216 0.347 1.00 14.01 C ATOM 659 O LEU A 61 1.047 25.629 -0.728 1.00 14.19 O ATOM 660 CB LEU A 61 3.273 26.780 1.243 1.00 11.90 C ATOM 661 CG LEU A 61 4.155 27.031 2.482 1.00 14.36 C ATOM 662 CD1 LEU A 61 4.723 25.707 3.013 1.00 11.51 C ATOM 663 CD2 LEU A 61 5.270 28.005 2.097 1.00 13.98 C ATOM 664 HA LEU A 61 1.541 26.025 2.374 1.00 0.00 H ATOM 665 HB2 LEU A 61 3.906 26.334 0.476 1.00 0.00 H ATOM 666 HB3 LEU A 61 2.912 27.748 0.897 1.00 0.00 H ATOM 667 HG LEU A 61 3.560 27.470 3.283 1.00 0.00 H ATOM 668 HD21 LEU A 61 5.869 27.572 1.296 1.00 0.00 H ATOM 669 HD22 LEU A 61 4.830 28.943 1.757 1.00 0.00 H ATOM 670 HD23 LEU A 61 5.903 28.192 2.965 1.00 0.00 H ATOM 671 HD11 LEU A 61 3.902 25.046 3.290 1.00 0.00 H ATOM 672 HD12 LEU A 61 5.326 25.235 2.237 1.00 0.00 H ATOM 673 HD13 LEU A 61 5.343 25.904 3.888 1.00 0.00 H ATOM 674 H LEU A 61 3.231 24.112 0.924 1.00 0.00 H ATOM 675 N ASP A 62 0.190 27.171 0.677 1.00 15.87 N ATOM 676 CA ASP A 62 -0.788 27.727 -0.241 1.00 13.95 C ATOM 677 C ASP A 62 -0.662 29.241 -0.170 1.00 12.70 C ATOM 678 O ASP A 62 -1.562 29.917 0.325 1.00 11.28 O ATOM 679 CB ASP A 62 -2.210 27.299 0.138 1.00 17.29 C ATOM 680 CG ASP A 62 -3.252 27.750 -0.882 1.00 18.85 C ATOM 681 OD1 ASP A 62 -4.454 27.538 -0.624 1.00 21.07 O ATOM 682 OD2 ASP A 62 -2.874 28.309 -1.935 1.00 18.21 O ATOM 683 HA ASP A 62 -0.601 27.363 -1.251 1.00 0.00 H ATOM 684 HB2 ASP A 62 -2.240 26.212 0.210 1.00 0.00 H ATOM 685 HB3 ASP A 62 -2.459 27.733 1.106 1.00 0.00 H ATOM 686 H ASP A 62 0.221 27.544 1.647 1.00 0.00 H ATOM 687 N CYS A 63 0.495 29.740 -0.588 1.00 12.44 N ATOM 688 CA CYS A 63 0.766 31.166 -0.590 1.00 16.51 C ATOM 689 C CYS A 63 1.816 31.551 -1.606 1.00 17.02 C ATOM 690 O CYS A 63 2.926 31.938 -1.233 1.00 19.56 O ATOM 691 CB CYS A 63 1.184 31.631 0.822 1.00 19.42 C ATOM 692 SG CYS A 63 2.290 30.506 1.721 1.00 23.23 S ATOM 693 HA CYS A 63 -0.156 31.671 -0.878 1.00 0.00 H ATOM 694 HB2 CYS A 63 0.279 31.758 1.416 1.00 0.00 H ATOM 695 HB3 CYS A 63 1.690 32.592 0.723 1.00 0.00 H ATOM 696 HG CYS A 63 1.669 29.284 1.881 1.00 0.00 H ATOM 697 H CYS A 63 1.232 29.088 -0.925 1.00 0.00 H ATOM 698 N GLN A 64 1.461 31.436 -2.878 1.00 18.01 N ATOM 699 CA GLN A 64 2.384 31.747 -3.958 1.00 19.08 C ATOM 700 C GLN A 64 2.923 33.176 -3.916 1.00 17.79 C ATOM 701 O GLN A 64 4.045 33.406 -4.378 1.00 15.51 O ATOM 702 CB GLN A 64 1.705 31.470 -5.318 1.00 20.49 C ATOM 703 CG GLN A 64 2.752 31.274 -6.501 1.00 22.82 C ATOM 704 CD GLN A 64 3.849 30.293 -6.123 1.00 21.86 C ATOM 705 OE1 GLN A 64 3.573 29.167 -5.688 1.00 21.18 O ATOM 706 NE2 GLN A 64 5.102 30.715 -6.284 1.00 20.43 N ATOM 707 HA GLN A 64 3.249 31.097 -3.826 1.00 0.00 H ATOM 708 HB2 GLN A 64 1.105 30.564 -5.230 1.00 0.00 H ATOM 709 HB3 GLN A 64 1.057 32.312 -5.562 1.00 0.00 H ATOM 710 HG2 GLN A 64 2.227 30.897 -7.379 1.00 0.00 H ATOM 711 HG3 GLN A 64 3.205 32.237 -6.736 1.00 0.00 H ATOM 712 HE22 GLN A 64 5.286 31.670 -6.653 1.00 0.00 H ATOM 713 HE21 GLN A 64 5.897 30.090 -6.041 1.00 0.00 H ATOM 714 H GLN A 64 0.499 31.116 -3.109 1.00 0.00 H ATOM 715 N ASP A 65 2.135 34.109 -3.384 1.00 17.02 N ATOM 716 CA ASP A 65 2.579 35.488 -3.260 1.00 18.62 C ATOM 717 C ASP A 65 3.812 35.603 -2.374 1.00 17.06 C ATOM 718 O ASP A 65 4.808 36.214 -2.786 1.00 13.39 O ATOM 719 CB ASP A 65 1.461 36.371 -2.669 1.00 26.12 C ATOM 720 CG ASP A 65 0.291 36.543 -3.613 1.00 32.07 C ATOM 721 OD1 ASP A 65 -0.339 35.528 -3.997 1.00 37.40 O ATOM 722 OD2 ASP A 65 -0.007 37.701 -3.974 1.00 35.40 O ATOM 723 HA ASP A 65 2.831 35.831 -4.264 1.00 0.00 H ATOM 724 HB2 ASP A 65 1.102 35.910 -1.749 1.00 0.00 H ATOM 725 HB3 ASP A 65 1.875 37.354 -2.444 1.00 0.00 H ATOM 726 H ASP A 65 1.185 33.846 -3.051 1.00 0.00 H ATOM 727 N LEU A 66 3.749 35.035 -1.171 1.00 14.70 N ATOM 728 CA LEU A 66 4.907 35.092 -0.286 1.00 13.69 C ATOM 729 C LEU A 66 6.082 34.347 -0.882 1.00 12.28 C ATOM 730 O LEU A 66 7.209 34.843 -0.805 1.00 11.21 O ATOM 731 CB LEU A 66 4.573 34.501 1.097 1.00 11.91 C ATOM 732 CG LEU A 66 3.437 35.189 1.858 1.00 12.20 C ATOM 733 CD1 LEU A 66 3.185 34.432 3.162 1.00 13.49 C ATOM 734 CD2 LEU A 66 3.816 36.646 2.141 1.00 10.53 C ATOM 735 HA LEU A 66 5.176 36.142 -0.168 1.00 0.00 H ATOM 736 HB2 LEU A 66 4.297 33.456 0.957 1.00 0.00 H ATOM 737 HB3 LEU A 66 5.471 34.559 1.712 1.00 0.00 H ATOM 738 HG LEU A 66 2.525 35.182 1.260 1.00 0.00 H ATOM 739 HD21 LEU A 66 4.724 36.673 2.743 1.00 0.00 H ATOM 740 HD22 LEU A 66 3.987 37.165 1.198 1.00 0.00 H ATOM 741 HD23 LEU A 66 3.005 37.132 2.683 1.00 0.00 H ATOM 742 HD11 LEU A 66 2.907 33.403 2.935 1.00 0.00 H ATOM 743 HD12 LEU A 66 4.092 34.440 3.766 1.00 0.00 H ATOM 744 HD13 LEU A 66 2.377 34.915 3.711 1.00 0.00 H ATOM 745 H LEU A 66 2.879 34.554 -0.865 1.00 0.00 H ATOM 746 N ILE A 67 5.818 33.179 -1.468 1.00 11.61 N ATOM 747 CA ILE A 67 6.883 32.399 -2.089 1.00 11.44 C ATOM 748 C ILE A 67 7.509 33.153 -3.238 1.00 12.04 C ATOM 749 O ILE A 67 8.720 33.368 -3.223 1.00 10.97 O ATOM 750 CB ILE A 67 6.378 31.041 -2.619 1.00 10.82 C ATOM 751 CG1 ILE A 67 5.977 30.126 -1.441 1.00 9.86 C ATOM 752 CG2 ILE A 67 7.477 30.365 -3.427 1.00 12.11 C ATOM 753 CD1 ILE A 67 5.281 28.860 -1.862 1.00 6.50 C ATOM 754 HA ILE A 67 7.623 32.222 -1.308 1.00 0.00 H ATOM 755 HB ILE A 67 5.508 31.213 -3.253 1.00 0.00 H ATOM 756 HG12 ILE A 67 6.880 29.856 -0.893 1.00 0.00 H ATOM 757 HG13 ILE A 67 5.309 30.684 -0.785 1.00 0.00 H ATOM 758 HD11 ILE A 67 4.368 29.111 -2.402 1.00 0.00 H ATOM 759 HD12 ILE A 67 5.940 28.283 -2.510 1.00 0.00 H ATOM 760 HD13 ILE A 67 5.032 28.272 -0.978 1.00 0.00 H ATOM 761 HG21 ILE A 67 7.752 31.002 -4.268 1.00 0.00 H ATOM 762 HG22 ILE A 67 8.347 30.204 -2.791 1.00 0.00 H ATOM 763 HG23 ILE A 67 7.115 29.406 -3.799 1.00 0.00 H ATOM 764 H ILE A 67 4.842 32.820 -1.483 1.00 0.00 H ATOM 765 N GLN A 68 6.697 33.552 -4.213 1.00 13.55 N ATOM 766 CA GLN A 68 7.217 34.313 -5.341 1.00 16.83 C ATOM 767 C GLN A 68 7.968 35.541 -4.857 1.00 16.16 C ATOM 768 O GLN A 68 9.013 35.884 -5.414 1.00 16.71 O ATOM 769 CB GLN A 68 6.072 34.729 -6.286 1.00 18.58 C ATOM 770 CG GLN A 68 6.540 34.848 -7.805 1.00 23.42 C ATOM 771 CD GLN A 68 5.391 35.135 -8.772 1.00 23.84 C ATOM 772 OE1 GLN A 68 4.429 34.364 -8.869 1.00 23.52 O ATOM 773 NE2 GLN A 68 5.490 36.251 -9.491 1.00 21.97 N ATOM 774 HA GLN A 68 7.910 33.676 -5.891 1.00 0.00 H ATOM 775 HB2 GLN A 68 5.279 33.984 -6.223 1.00 0.00 H ATOM 776 HB3 GLN A 68 5.687 35.696 -5.963 1.00 0.00 H ATOM 777 HG2 GLN A 68 7.267 35.657 -7.881 1.00 0.00 H ATOM 778 HG3 GLN A 68 7.011 33.909 -8.096 1.00 0.00 H ATOM 779 HE22 GLN A 68 6.317 36.871 -9.377 1.00 0.00 H ATOM 780 HE21 GLN A 68 4.740 36.503 -10.166 1.00 0.00 H ATOM 781 H GLN A 68 5.684 33.319 -4.170 1.00 0.00 H ATOM 782 N GLN A 69 7.452 36.177 -3.811 1.00 15.70 N ATOM 783 CA GLN A 69 8.115 37.343 -3.248 1.00 15.47 C ATOM 784 C GLN A 69 9.428 36.989 -2.576 1.00 15.45 C ATOM 785 O GLN A 69 10.377 37.762 -2.667 1.00 16.81 O ATOM 786 CB GLN A 69 7.202 38.047 -2.237 1.00 13.16 C ATOM 787 CG GLN A 69 7.839 39.377 -1.649 1.00 11.80 C ATOM 788 CD GLN A 69 8.206 40.365 -2.740 1.00 12.78 C ATOM 789 OE1 GLN A 69 9.369 40.461 -3.151 1.00 12.43 O ATOM 790 NE2 GLN A 69 7.210 41.091 -3.231 1.00 8.95 N ATOM 791 HA GLN A 69 8.331 38.013 -4.080 1.00 0.00 H ATOM 792 HB2 GLN A 69 6.264 38.300 -2.732 1.00 0.00 H ATOM 793 HB3 GLN A 69 7.003 37.362 -1.412 1.00 0.00 H ATOM 794 HG2 GLN A 69 7.119 39.845 -0.978 1.00 0.00 H ATOM 795 HG3 GLN A 69 8.739 39.119 -1.091 1.00 0.00 H ATOM 796 HE22 GLN A 69 6.248 40.976 -2.854 1.00 0.00 H ATOM 797 HE21 GLN A 69 7.392 41.775 -3.993 1.00 0.00 H ATOM 798 H GLN A 69 6.564 35.837 -3.390 1.00 0.00 H ATOM 799 N TYR A 70 9.480 35.847 -1.904 1.00 16.37 N ATOM 800 CA TYR A 70 10.710 35.436 -1.253 1.00 17.25 C ATOM 801 C TYR A 70 11.771 35.050 -2.261 1.00 19.35 C ATOM 802 O TYR A 70 12.928 35.421 -2.081 1.00 18.41 O ATOM 803 CB TYR A 70 10.440 34.259 -0.296 1.00 17.01 C ATOM 804 CG TYR A 70 11.680 33.746 0.403 1.00 15.95 C ATOM 805 CD1 TYR A 70 12.529 32.831 -0.220 1.00 15.34 C ATOM 806 CD2 TYR A 70 12.024 34.203 1.680 1.00 16.63 C ATOM 807 CE1 TYR A 70 13.690 32.385 0.409 1.00 16.51 C ATOM 808 CE2 TYR A 70 13.188 33.762 2.318 1.00 16.31 C ATOM 809 CZ TYR A 70 14.013 32.854 1.672 1.00 17.14 C ATOM 810 OH TYR A 70 15.165 32.418 2.280 1.00 17.74 O ATOM 811 HA TYR A 70 11.082 36.287 -0.682 1.00 0.00 H ATOM 812 HB3 TYR A 70 10.005 33.441 -0.870 1.00 0.00 H ATOM 813 HB2 TYR A 70 9.729 34.588 0.462 1.00 0.00 H ATOM 814 HD2 TYR A 70 11.373 34.916 2.187 1.00 0.00 H ATOM 815 HE2 TYR A 70 13.444 34.128 3.312 1.00 0.00 H ATOM 816 HE1 TYR A 70 14.342 31.669 -0.091 1.00 0.00 H ATOM 817 HD1 TYR A 70 12.281 32.459 -1.214 1.00 0.00 H ATOM 818 HH TYR A 70 15.630 31.779 1.684 1.00 0.00 H ATOM 819 H TYR A 70 8.635 35.243 -1.843 1.00 0.00 H ATOM 820 N GLU A 71 11.378 34.325 -3.305 1.00 23.53 N ATOM 821 CA GLU A 71 12.319 33.906 -4.341 1.00 29.96 C ATOM 822 C GLU A 71 12.899 35.072 -5.142 1.00 33.60 C ATOM 823 O GLU A 71 13.842 34.866 -5.898 1.00 36.50 O ATOM 824 CB GLU A 71 11.651 32.905 -5.312 1.00 28.54 C ATOM 825 CG GLU A 71 11.289 31.472 -4.693 1.00 31.07 C ATOM 826 CD GLU A 71 12.480 30.761 -4.048 1.00 32.73 C ATOM 827 OE1 GLU A 71 13.641 31.012 -4.454 1.00 33.39 O ATOM 828 OE2 GLU A 71 12.247 29.931 -3.141 1.00 31.70 O ATOM 829 HA GLU A 71 13.146 33.429 -3.815 1.00 0.00 H ATOM 830 HB2 GLU A 71 10.728 33.356 -5.675 1.00 0.00 H ATOM 831 HB3 GLU A 71 12.330 32.746 -6.149 1.00 0.00 H ATOM 832 HG2 GLU A 71 10.518 31.609 -3.935 1.00 0.00 H ATOM 833 HG3 GLU A 71 10.902 30.840 -5.492 1.00 0.00 H ATOM 834 H GLU A 71 10.378 34.050 -3.385 1.00 0.00 H ATOM 835 N ALA A 72 12.333 36.264 -4.979 1.00 37.29 N ATOM 836 CA ALA A 72 12.806 37.451 -5.676 1.00 40.34 C ATOM 837 C ALA A 72 13.707 38.323 -4.803 1.00 43.08 C ATOM 838 O ALA A 72 14.466 39.130 -5.337 1.00 43.33 O ATOM 839 CB ALA A 72 11.609 38.269 -6.168 1.00 39.99 C ATOM 840 HA ALA A 72 13.406 37.115 -6.522 1.00 0.00 H ATOM 841 HB1 ALA A 72 11.011 37.663 -6.849 1.00 0.00 H ATOM 842 HB2 ALA A 72 11.000 38.568 -5.315 1.00 0.00 H ATOM 843 HB3 ALA A 72 11.967 39.157 -6.689 1.00 0.00 H ATOM 844 H ALA A 72 11.524 36.351 -4.331 1.00 0.00 H ATOM 845 N SER A 73 13.614 38.160 -3.487 1.00 45.50 N ATOM 846 CA SER A 73 14.416 38.935 -2.549 1.00 49.04 C ATOM 847 C SER A 73 15.868 38.490 -2.468 1.00 51.38 C ATOM 848 O SER A 73 16.621 39.022 -1.656 1.00 51.92 O ATOM 849 CB SER A 73 13.789 38.858 -1.146 1.00 49.43 C ATOM 850 OG SER A 73 12.417 39.203 -1.196 1.00 50.27 O ATOM 851 HA SER A 73 14.420 39.958 -2.925 1.00 0.00 H ATOM 852 HB2 SER A 73 14.309 39.549 -0.482 1.00 0.00 H ATOM 853 HB3 SER A 73 13.890 37.843 -0.763 1.00 0.00 H ATOM 854 HG SER A 73 11.942 38.575 -1.796 1.00 0.00 H ATOM 855 H SER A 73 12.946 37.455 -3.114 1.00 0.00 H ATOM 856 N ARG A 74 16.240 37.520 -3.294 1.00 54.75 N ATOM 857 CA ARG A 74 17.602 37.002 -3.342 1.00 57.94 C ATOM 858 C ARG A 74 18.432 37.589 -4.482 1.00 59.17 C ATOM 859 O ARG A 74 18.882 36.802 -5.341 1.00 59.80 O ATOM 860 CB ARG A 74 17.570 35.469 -3.478 1.00 60.55 C ATOM 861 CG ARG A 74 16.241 34.912 -4.172 1.00 63.82 C ATOM 862 CD ARG A 74 16.252 33.320 -4.308 1.00 66.30 C ATOM 863 NE ARG A 74 16.656 32.640 -3.079 1.00 67.90 N ATOM 864 CZ ARG A 74 16.844 31.326 -2.984 1.00 69.19 C ATOM 865 NH1 ARG A 74 16.661 30.551 -4.046 1.00 69.65 N ATOM 866 NH2 ARG A 74 17.219 30.787 -1.831 1.00 69.37 N ATOM 867 HA ARG A 74 18.081 37.300 -2.409 1.00 0.00 H ATOM 868 HB2 ARG A 74 18.427 35.158 -4.076 1.00 0.00 H ATOM 869 HB3 ARG A 74 17.647 35.033 -2.482 1.00 0.00 H ATOM 870 HG2 ARG A 74 15.381 35.207 -3.571 1.00 0.00 H ATOM 871 HG3 ARG A 74 16.155 35.349 -5.167 1.00 0.00 H ATOM 872 HD2 ARG A 74 16.947 33.045 -5.101 1.00 0.00 H ATOM 873 HD3 ARG A 74 15.249 32.988 -4.574 1.00 0.00 H ATOM 874 HE ARG A 74 16.806 33.218 -2.227 1.00 0.00 H ATOM 875 HH12 ARG A 74 16.808 29.524 -3.972 1.00 0.00 H ATOM 876 HH11 ARG A 74 16.371 30.971 -4.952 1.00 0.00 H ATOM 877 HH22 ARG A 74 17.365 29.760 -1.760 1.00 0.00 H ATOM 878 HH21 ARG A 74 17.367 31.392 -0.998 1.00 0.00 H ATOM 879 H ARG A 74 15.529 37.112 -3.934 1.00 0.00 H TER 880 ARG A 74 HETATM 881 O HOH 1 5.014 30.728 14.554 1.00 18.45 O HETATM 882 O HOH 2 -1.734 31.064 11.800 1.00 18.79 O HETATM 883 O HOH 3 -2.132 35.834 18.935 1.00 6.78 O HETATM 884 O HOH 4 7.916 35.166 20.687 1.00 26.44 O HETATM 885 O HOH 5 10.058 22.522 12.311 1.00 20.41 O HETATM 886 O HOH 6 2.845 24.976 -2.722 1.00 22.30 O HETATM 887 O HOH 7 14.538 40.879 -7.457 1.00 27.50 O HETATM 888 O HOH 8 4.588 25.207 15.792 1.00 31.51 O HETATM 889 O HOH 9 18.056 23.749 8.900 1.00 27.11 O HETATM 890 O HOH 10 19.358 23.941 1.043 1.00 33.97 O HETATM 891 O HOH 11 4.644 39.137 4.880 1.00 26.49 O HETATM 892 O HOH 12 -5.096 30.723 11.135 1.00 31.67 O HETATM 893 O HOH 13 2.946 36.814 16.541 1.00 18.74 O HETATM 894 O HOH 14 18.485 15.676 3.998 1.00 17.25 O HETATM 895 O HOH 15 7.487 31.948 -7.376 1.00 32.98 O HETATM 896 O HOH 16 13.271 20.404 11.473 1.00 34.80 O HETATM 897 O HOH 17 17.290 31.208 0.702 1.00 42.86 O HETATM 898 O HOH 18 -6.587 22.529 11.257 1.00 42.94 O HETATM 899 O HOH 19 16.063 21.061 11.869 1.00 32.38 O HETATM 900 O HOH 20 19.814 32.549 -1.383 1.00 46.63 O HETATM 901 O HOH 21 0.951 38.761 15.010 1.00 66.70 O HETATM 902 O HOH 22 5.257 37.456 -7.222 1.00 33.96 O HETATM 903 O HOH 23 17.096 37.607 -6.957 1.00 44.09 O HETATM 904 O HOH 24 -5.523 29.281 14.804 1.00 16.05 O HETATM 905 O HOH 25 12.636 37.425 9.169 1.00 28.29 O HETATM 906 O HOH 26 -4.006 24.721 3.547 1.00 54.11 O HETATM 907 O HOH 27 6.120 25.468 -3.931 1.00 44.51 O HETATM 908 O HOH 28 0.521 40.279 -4.782 1.00 49.03 O HETATM 909 O HOH 29 17.987 25.301 -4.886 1.00 44.43 O HETATM 910 O HOH 30 9.574 35.176 -7.884 1.00 45.50 O HETATM 911 O HOH 31 -5.797 29.724 0.408 1.00 60.77 O HETATM 912 O HOH 32 9.193 19.210 7.920 1.00 41.46 O HETATM 913 O HOH 33 13.465 13.041 9.224 1.00 46.36 O HETATM 914 O HOH 34 8.984 37.536 13.390 1.00 58.48 O HETATM 915 O HOH 35 -4.938 19.101 9.200 1.00 48.07 O HETATM 916 O HOH 36 15.890 35.190 -1.237 1.00 37.22 O HETATM 917 O HOH 37 3.286 17.413 3.565 1.00 33.81 O HETATM 918 O HOH 38 14.393 31.051 -7.221 1.00 34.01 O HETATM 919 O HOH 39 -4.229 28.562 -4.270 1.00 29.16 O HETATM 920 O HOH 40 10.925 21.867 -6.594 1.00 41.46 O HETATM 921 O HOH 41 18.678 31.993 -5.227 1.00 54.92 O HETATM 922 O HOH 42 -0.852 33.797 -6.132 1.00 48.70 O HETATM 923 O HOH 43 5.605 24.363 20.775 1.00 34.05 O HETATM 924 O HOH 44 19.169 27.017 4.500 1.00 32.96 O HETATM 925 O HOH 45 -7.214 28.838 -3.857 1.00 68.11 O HETATM 926 O HOH 46 10.758 26.324 16.527 1.00 49.68 O HETATM 927 O HOH 47 5.720 38.598 13.723 1.00 39.99 O HETATM 928 O HOH 48 18.651 41.276 -1.906 1.00 38.25 O HETATM 929 O HOH 49 1.014 24.295 18.862 1.00 43.17 O HETATM 930 O HOH 50 -9.679 27.064 -5.076 1.00 49.20 O HETATM 931 O HOH 51 11.294 13.136 7.368 1.00 22.41 O HETATM 932 O HOH 52 13.008 16.737 6.735 1.00 21.91 O HETATM 933 O HOH 53 18.976 20.552 5.320 1.00 30.19 O HETATM 934 O HOH 54 17.964 15.189 6.791 1.00 40.73 O HETATM 935 O HOH 55 19.224 24.934 6.812 1.00 18.56 O HETATM 936 O HOH 56 20.501 17.761 4.446 1.00 37.39 O HETATM 937 O HOH 57 12.499 24.104 14.354 1.00 35.86 O HETATM 938 O HOH 58 14.733 23.319 13.387 1.00 59.89 O HETATM 939 O HOH 59 16.856 28.744 10.206 1.00 32.49 O HETATM 940 O HOH 60 16.185 31.169 11.067 1.00 49.74 O HETATM 941 O HOH 61 14.347 30.750 14.736 1.00 41.36 O HETATM 942 O HOH 62 13.373 35.085 12.744 1.00 56.20 O HETATM 943 O HOH 63 20.898 22.316 16.383 1.00 45.59 O HETATM 944 O HOH 64 0.383 34.633 -0.329 1.00 18.97 O HETATM 945 O HOH 65 5.209 18.370 6.962 1.00 52.92 O HETATM 946 O HOH 66 4.718 21.318 11.806 1.00 40.53 O HETATM 947 O HOH 67 1.963 18.149 14.583 1.00 43.76 O HETATM 948 O HOH 68 2.201 15.694 12.967 1.00 32.52 O HETATM 949 O HOH 69 -4.847 33.778 -2.394 1.00 44.07 O HETATM 950 O HOH 70 -6.662 31.839 -1.943 1.00 38.97 O HETATM 951 O HOH 71 4.262 16.406 14.440 1.00 42.90 O HETATM 952 N GLN A 72 -0.512 33.836 2.606 1.00 0.24 N HETATM 953 CA GLN A 72 -1.850 33.184 2.712 1.00 0.07 C HETATM 954 CB GLN A 72 -2.266 32.594 1.353 1.00 0.02 C HETATM 955 CG GLN A 72 -3.781 32.116 1.299 1.00 0.04 C HETATM 956 CD GLN A 72 -4.745 33.283 1.279 1.00 0.17 C HETATM 957 NE2 GLN A 72 -5.544 33.414 2.339 1.00 -0.30 N HETATM 958 H9 GLN A 72 -6.201 34.167 2.380 1.00 0.18 H HETATM 959 H10 GLN A 72 -5.486 32.759 3.093 1.00 0.18 H HETATM 960 OE1 GLN A 72 -4.776 34.063 0.318 1.00 -0.40 O HETATM 961 H7 GLN A 72 -3.990 31.498 2.185 1.00 0.05 H HETATM 962 H8 GLN A 72 -3.932 31.516 0.390 1.00 0.05 H HETATM 963 H5 GLN A 72 -1.621 31.729 1.138 1.00 0.04 H HETATM 964 H6 GLN A 72 -2.117 33.363 0.581 1.00 0.04 H HETATM 965 C GLN A 72 -1.850 32.081 3.772 1.00 0.23 C HETATM 966 O GLN A 72 -1.649 32.399 4.943 1.00 -0.39 O HETATM 967 N GLN A 72 -2.040 30.819 3.381 1.00 -0.26 N HETATM 968 CA GLN A 72 -2.080 29.734 4.364 1.00 0.16 C HETATM 969 CB GLN A 72 -3.485 29.123 4.471 1.00 0.09 C HETATM 970 CG2 GLN A 72 -4.553 30.207 4.449 1.00 -0.03 C HETATM 971 H15 GLN A 72 -5.548 29.744 4.527 1.00 0.03 H HETATM 972 H16 GLN A 72 -4.484 30.771 3.507 1.00 0.03 H HETATM 973 H17 GLN A 72 -4.400 30.890 5.297 1.00 0.03 H HETATM 974 OG1 GLN A 72 -3.698 28.235 3.366 1.00 -0.39 O HETATM 975 H14 GLN A 72 -3.034 27.556 3.374 1.00 0.21 H HETATM 976 H13 GLN A 72 -3.562 28.561 5.413 1.00 0.06 H HETATM 977 C GLN A 72 -1.138 28.559 4.127 1.00 0.21 C HETATM 978 O GLN A 72 -0.471 28.495 3.089 1.00 -0.39 O HETATM 979 N GLN A 72 -1.117 27.632 5.082 1.00 -0.26 N HETATM 980 CA GLN A 72 -0.287 26.444 4.977 1.00 0.13 C HETATM 981 CB GLN A 72 1.172 26.825 5.093 1.00 -0.02 C HETATM 982 H20 GLN A 72 1.794 25.922 5.013 1.00 0.03 H HETATM 983 H21 GLN A 72 1.349 27.307 6.066 1.00 0.03 H HETATM 984 H22 GLN A 72 1.434 27.524 4.285 1.00 0.03 H HETATM 985 C GLN A 72 -0.612 25.329 5.970 1.00 0.20 C HETATM 986 O GLN A 72 -1.080 25.603 7.076 1.00 -0.39 O HETATM 987 N GLN A 72 -0.373 24.091 5.548 1.00 -0.26 N HETATM 988 CA GLN A 72 -0.588 22.923 6.381 1.00 0.13 C HETATM 989 CB GLN A 72 -0.568 21.642 5.510 1.00 -0.01 C HETATM 990 CG GLN A 72 -0.972 20.298 6.276 1.00 -0.02 C HETATM 991 CD GLN A 72 -0.913 19.026 5.310 1.00 0.06 C HETATM 992 NE GLN A 72 -1.546 17.839 5.889 1.00 -0.27 N HETATM 993 CZ GLN A 72 -2.861 17.703 6.072 1.00 0.29 C HETATM 994 NH2 GLN A 72 -3.355 16.591 6.598 1.00 -0.28 N HETATM 995 H34 GLN A 72 -2.722 15.826 6.873 1.00 0.26 H HETATM 996 H35 GLN A 72 -4.372 16.492 6.732 1.00 0.26 H HETATM 997 NH1 GLN A 72 -3.687 18.679 5.723 1.00 -0.28 N HETATM 998 H32 GLN A 72 -4.701 18.571 5.866 1.00 0.26 H HETATM 999 H33 GLN A 72 -3.315 19.546 5.309 1.00 0.26 H HETATM 1000 H31 GLN A 72 -0.937 17.059 6.173 1.00 0.26 H HETATM 1001 H29 GLN A 72 0.141 18.794 5.100 1.00 0.07 H HETATM 1002 H30 GLN A 72 -1.428 19.275 4.370 1.00 0.07 H HETATM 1003 H27 GLN A 72 -1.996 20.403 6.665 1.00 0.03 H HETATM 1004 H28 GLN A 72 -0.276 20.142 7.113 1.00 0.03 H HETATM 1005 H25 GLN A 72 0.450 21.515 5.112 1.00 0.03 H HETATM 1006 H26 GLN A 72 -1.272 21.785 4.677 1.00 0.03 H HETATM 1007 C GLN A 72 0.499 22.816 7.445 1.00 0.20 C HETATM 1008 O GLN A 72 1.668 23.028 7.115 1.00 -0.39 O HETATM 1009 N GLN A 72 0.134 22.521 8.687 1.00 -0.26 N HETATM 1010 CA GLN A 72 1.126 22.388 9.750 1.00 0.13 C HETATM 1011 CB GLN A 72 0.708 23.188 11.003 1.00 -0.01 C HETATM 1012 CG GLN A 72 1.818 23.175 12.149 1.00 -0.04 C HETATM 1013 CD GLN A 72 1.384 23.980 13.458 1.00 -0.01 C HETATM 1014 CE GLN A 72 0.902 25.465 13.148 1.00 -0.03 C HETATM 1015 NZ GLN A 72 0.500 26.182 14.415 1.00 0.24 N HETATM 1016 CM1 GLN A 72 1.746 26.174 15.256 1.00 -0.04 C HETATM 1017 H46 GLN A 72 1.547 26.681 16.211 1.00 0.08 H HETATM 1018 H47 GLN A 72 2.552 26.700 14.723 1.00 0.08 H HETATM 1019 H48 GLN A 72 2.051 25.135 15.449 1.00 0.08 H HETATM 1020 CM2 GLN A 72 0.068 27.534 13.946 1.00 -0.04 C HETATM 1021 H49 GLN A 72 -0.846 27.438 13.342 1.00 0.08 H HETATM 1022 H50 GLN A 72 0.865 27.982 13.335 1.00 0.08 H HETATM 1023 H51 GLN A 72 -0.133 28.177 14.816 1.00 0.08 H HETATM 1024 CM3 GLN A 72 -0.613 25.352 14.975 1.00 -0.04 C HETATM 1025 H52 GLN A 72 -0.217 24.377 15.296 1.00 0.08 H HETATM 1026 H53 GLN A 72 -1.381 25.199 14.203 1.00 0.08 H HETATM 1027 H54 GLN A 72 -1.058 25.870 15.838 1.00 0.08 H HETATM 1028 H44 GLN A 72 0.039 25.428 12.467 1.00 0.08 H HETATM 1029 H45 GLN A 72 1.724 26.017 12.668 1.00 0.08 H HETATM 1030 H42 GLN A 72 2.245 24.027 14.141 1.00 0.03 H HETATM 1031 H43 GLN A 72 0.559 23.439 13.944 1.00 0.03 H HETATM 1032 H40 GLN A 72 2.737 23.628 11.750 1.00 0.03 H HETATM 1033 H41 GLN A 72 2.016 22.131 12.431 1.00 0.03 H HETATM 1034 H38 GLN A 72 -0.217 22.750 11.406 1.00 0.03 H HETATM 1035 H39 GLN A 72 0.522 24.231 10.707 1.00 0.03 H HETATM 1036 C GLN A 72 1.334 20.929 10.149 1.00 0.20 C HETATM 1037 O GLN A 72 0.378 20.296 10.602 1.00 -0.39 O HETATM 1038 N GLN A 72 2.551 20.414 9.996 1.00 -0.26 N HETATM 1039 CA GLN A 72 2.849 19.019 10.337 1.00 0.14 C HETATM 1040 CB GLN A 72 3.967 18.477 9.420 1.00 0.08 C HETATM 1041 OG GLN A 72 5.111 19.319 9.445 1.00 -0.39 O HETATM 1042 H60 GLN A 72 5.779 18.960 8.873 1.00 0.21 H HETATM 1043 H58 GLN A 72 3.588 18.419 8.389 1.00 0.06 H HETATM 1044 H59 GLN A 72 4.255 17.472 9.762 1.00 0.06 H HETATM 1045 C GLN A 72 3.231 18.760 11.793 1.00 0.13 C HETATM 1046 O GLN A 72 3.118 19.693 12.621 1.00 -0.37 O HETATM 1047 H57 GLN A 72 3.595 17.782 12.105 1.00 0.14 H HETATM 1048 H56 GLN A 72 1.934 18.442 10.138 1.00 0.08 H HETATM 1049 H55 GLN A 72 3.283 20.994 9.639 1.00 0.19 H HETATM 1050 H37 GLN A 72 2.081 22.789 9.378 1.00 0.08 H HETATM 1051 H36 GLN A 72 -0.835 22.388 8.898 1.00 0.19 H HETATM 1052 H24 GLN A 72 -1.567 23.011 6.874 1.00 0.08 H HETATM 1053 H23 GLN A 72 -0.031 23.960 4.618 1.00 0.19 H HETATM 1054 H19 GLN A 72 -0.449 26.031 3.971 1.00 0.08 H HETATM 1055 H18 GLN A 72 -1.688 27.756 5.894 1.00 0.19 H HETATM 1056 H12 GLN A 72 -1.816 30.181 5.333 1.00 0.08 H HETATM 1057 H11 GLN A 72 -2.156 30.613 2.409 1.00 0.19 H HETATM 1058 H4 GLN A 72 -2.585 33.948 3.004 1.00 0.11 H HETATM 1059 H1 GLN A 72 -0.544 34.556 1.901 1.00 0.20 H HETATM 1060 H2 GLN A 72 0.178 33.147 2.351 1.00 0.20 H HETATM 1061 H3 GLN A 72 -0.266 34.245 3.494 1.00 0.20 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 952 953 1059 1060 1061 CONECT 953 952 954 965 1058 CONECT 954 953 955 963 964 CONECT 955 954 956 961 962 CONECT 956 955 957 960 CONECT 957 956 958 959 CONECT 958 957 CONECT 959 957 CONECT 960 956 CONECT 961 955 CONECT 962 955 CONECT 963 954 CONECT 964 954 CONECT 965 953 966 967 CONECT 966 965 CONECT 967 965 968 1057 CONECT 968 967 969 977 1056 CONECT 969 968 970 974 976 CONECT 970 969 971 972 973 CONECT 971 970 CONECT 972 970 CONECT 973 970 CONECT 974 969 975 CONECT 975 974 CONECT 976 969 CONECT 977 968 978 979 CONECT 978 977 CONECT 979 977 980 1055 CONECT 980 979 981 985 1054 CONECT 981 980 982 983 984 CONECT 982 981 CONECT 983 981 CONECT 984 981 CONECT 985 980 986 987 CONECT 986 985 CONECT 987 985 988 1053 CONECT 988 987 989 1007 1052 CONECT 989 988 990 1005 1006 CONECT 990 989 991 1003 1004 CONECT 991 990 992 1001 1002 CONECT 992 991 993 1000 CONECT 993 992 994 997 CONECT 994 993 995 996 CONECT 995 994 CONECT 996 994 CONECT 997 993 998 999 CONECT 998 997 CONECT 999 997 CONECT 1000 992 CONECT 1001 991 CONECT 1002 991 CONECT 1003 990 CONECT 1004 990 CONECT 1005 989 CONECT 1006 989 CONECT 1007 988 1008 1009 CONECT 1008 1007 CONECT 1009 1007 1010 1051 CONECT 1010 1009 1011 1036 1050 CONECT 1011 1010 1012 1034 1035 CONECT 1012 1011 1013 1032 1033 CONECT 1013 1012 1014 1030 1031 CONECT 1014 1013 1015 1028 1029 CONECT 1015 1014 1016 1020 1024 CONECT 1016 1015 1017 1018 1019 CONECT 1017 1016 CONECT 1018 1016 CONECT 1019 1016 CONECT 1020 1015 1021 1022 1023 CONECT 1021 1020 CONECT 1022 1020 CONECT 1023 1020 CONECT 1024 1015 1025 1026 1027 CONECT 1025 1024 CONECT 1026 1024 CONECT 1027 1024 CONECT 1028 1014 CONECT 1029 1014 CONECT 1030 1013 CONECT 1031 1013 CONECT 1032 1012 CONECT 1033 1012 CONECT 1034 1011 CONECT 1035 1011 CONECT 1036 1010 1037 1038 CONECT 1037 1036 CONECT 1038 1036 1039 1049 CONECT 1039 1038 1040 1045 1048 CONECT 1040 1039 1041 1043 1044 CONECT 1041 1040 1042 CONECT 1042 1041 CONECT 1043 1040 CONECT 1044 1040 CONECT 1045 1039 1046 1047 CONECT 1046 1045 CONECT 1047 1045 CONECT 1048 1039 CONECT 1049 1038 CONECT 1050 1010 CONECT 1051 1009 CONECT 1052 988 CONECT 1053 987 CONECT 1054 980 CONECT 1055 979 CONECT 1056 968 CONECT 1057 967 CONECT 1058 953 CONECT 1059 952 CONECT 1060 952 CONECT 1061 952 MASTER 0 0 0 0 0 0 0 0 1060 1 114 4 END
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Related entries of code: 1kne
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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RCSB PDB
PDBbind
69aa, >1KNA_1|Chain... *
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RCSB PDB
PDBbind
69aa, >6ASZ_1|Chain... at 98%
6at0
RCSB PDB
PDBbind
69aa, >6AT0_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
1a37
RCSB PDB
PDBbind
15-mer
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RCSB PDB
PDBbind
15-mer
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PDBbind
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RCSB PDB
PDBbind
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1jyc
RCSB PDB
PDBbind
15-mer
1kc5
RCSB PDB
PDBbind
15-mer
1kcs
RCSB PDB
PDBbind
15-mer
1klg
RCSB PDB
PDBbind
15-mer
1klu
RCSB PDB
PDBbind
15-mer
1kna
RCSB PDB
PDBbind
15-mer
1om9
RCSB PDB
PDBbind
15-mer
1t08
RCSB PDB
PDBbind
15-mer
1t79
RCSB PDB
PDBbind
15-mer
1t7f
RCSB PDB
PDBbind
15-mer
1t7r
RCSB PDB
PDBbind
15-mer
1tet
RCSB PDB
PDBbind
15-mer
1w70
RCSB PDB
PDBbind
15-mer
1xhm
RCSB PDB
PDBbind
15-mer
2aq9
RCSB PDB
PDBbind
15-mer
2auc
RCSB PDB
PDBbind
15-mer
2bba
RCSB PDB
PDBbind
15-mer
2co0
RCSB PDB
PDBbind
15-mer
2d1x
RCSB PDB
PDBbind
15-mer
2f6j
RCSB PDB
PDBbind
15-mer
2fsa
RCSB PDB
PDBbind
15-mer
2fuu
RCSB PDB
PDBbind
15-mer
2jk9
RCSB PDB
PDBbind
15-mer
2k00
RCSB PDB
PDBbind
15-mer
2ksp
RCSB PDB
PDBbind
15-mer
2kwn
RCSB PDB
PDBbind
15-mer
2l11
RCSB PDB
PDBbind
15-mer
2l12
RCSB PDB
PDBbind
15-mer
2l1b
RCSB PDB
PDBbind
15-mer
2lbm
RCSB PDB
PDBbind
15-mer
2lgf
RCSB PDB
PDBbind
15-mer
2ltx
RCSB PDB
PDBbind
15-mer
2lty
RCSB PDB
PDBbind
15-mer
2ltz
RCSB PDB
PDBbind
15-mer
2m41
RCSB PDB
PDBbind
15-mer
2mwo
RCSB PDB
PDBbind
15-mer
2mwy
RCSB PDB
PDBbind
15-mer
2n9e
RCSB PDB
PDBbind
15-mer
2pmc
RCSB PDB
PDBbind
15-mer
2rnw
RCSB PDB
PDBbind
15-mer
2rny
RCSB PDB
PDBbind
15-mer
2vwf
RCSB PDB
PDBbind
15-mer
2w0p
RCSB PDB
PDBbind
15-mer
2xxn
RCSB PDB
PDBbind
15-mer
2z5s
RCSB PDB
PDBbind
15-mer
2z5t
RCSB PDB
PDBbind
15-mer
3b95
RCSB PDB
PDBbind
15-mer
3btr
RCSB PDB
PDBbind
15-mer
3bu6
RCSB PDB
PDBbind
15-mer
3cfs
RCSB PDB
PDBbind
15-mer
3dab
RCSB PDB
PDBbind
15-mer
3fdt
RCSB PDB
PDBbind
15-mer
3ghe
RCSB PDB
PDBbind
15-mer
3gv6
RCSB PDB
PDBbind
15-mer
3h1z
RCSB PDB
PDBbind
15-mer
3h91
RCSB PDB
PDBbind
15-mer
3hqh
RCSB PDB
PDBbind
15-mer
3jpx
RCSB PDB
PDBbind
15-mer
3l3q
RCSB PDB
PDBbind
15-mer
3l6f
RCSB PDB
PDBbind
15-mer
3m17
RCSB PDB
PDBbind
15-mer
3o6l
RCSB PDB
PDBbind
15-mer
3ql9
RCSB PDB
PDBbind
15-mer
3qlc
RCSB PDB
PDBbind
15-mer
3qo2
RCSB PDB
PDBbind
15-mer
3qxd
RCSB PDB
PDBbind
15-mer
3r93
RCSB PDB
PDBbind
15-mer
3uig
RCSB PDB
PDBbind
15-mer
3uih
RCSB PDB
PDBbind
15-mer
3uij
RCSB PDB
PDBbind
15-mer
3wp0
RCSB PDB
PDBbind
15-mer
3wsy
RCSB PDB
PDBbind
15-mer
4b4n
RCSB PDB
PDBbind
15-mer
4bxu
RCSB PDB
PDBbind
15-mer
4cy1
RCSB PDB
PDBbind
15-mer
4dma
RCSB PDB
PDBbind
15-mer
4dx9
RCSB PDB
PDBbind
15-mer
4ezo
RCSB PDB
PDBbind
15-mer
4ft2
RCSB PDB
PDBbind
15-mer
4gnf
RCSB PDB
PDBbind
15-mer
4gng
RCSB PDB
PDBbind
15-mer
4hfz
RCSB PDB
PDBbind
15-mer
4iur
RCSB PDB
PDBbind
15-mer
4iut
RCSB PDB
PDBbind
15-mer
4iuu
RCSB PDB
PDBbind
15-mer
4iuv
RCSB PDB
PDBbind
15-mer
4j8s
RCSB PDB
PDBbind
15-mer
4k0u
RCSB PDB
PDBbind
15-mer
4n3w
RCSB PDB
PDBbind
15-mer
4n5t
RCSB PDB
PDBbind
15-mer
4nb3
RCSB PDB
PDBbind
15-mer
4nmx
RCSB PDB
PDBbind
15-mer
4nw2
RCSB PDB
PDBbind
15-mer
4o36
RCSB PDB
PDBbind
15-mer
4o37
RCSB PDB
PDBbind
15-mer
4o3u
RCSB PDB
PDBbind
15-mer
4o42
RCSB PDB
PDBbind
15-mer
4o45
RCSB PDB
PDBbind
15-mer
4os1
RCSB PDB
PDBbind
15-mer
4os4
RCSB PDB
PDBbind
15-mer
4os5
RCSB PDB
PDBbind
15-mer
4os7
RCSB PDB
PDBbind
15-mer
4psx
RCSB PDB
PDBbind
15-mer
4r1e
RCSB PDB
PDBbind
15-mer
4r3s
RCSB PDB
PDBbind
15-mer
4rrv
RCSB PDB
PDBbind
15-mer
4u0a
RCSB PDB
PDBbind
15-mer
4u0b
RCSB PDB
PDBbind
15-mer
4u6x
RCSB PDB
PDBbind
15-mer
4u6y
RCSB PDB
PDBbind
15-mer
4xyn
RCSB PDB
PDBbind
15-mer
5cfa
RCSB PDB
PDBbind
15-mer
5cin
RCSB PDB
PDBbind
15-mer
5cqx
RCSB PDB
PDBbind
15-mer
5dif
RCSB PDB
PDBbind
15-mer
5epp
RCSB PDB
PDBbind
15-mer
5etf
RCSB PDB
PDBbind
15-mer
5fb0
RCSB PDB
PDBbind
15-mer
5fb1
RCSB PDB
PDBbind
15-mer
5h5q
RCSB PDB
PDBbind
15-mer
5h5r
RCSB PDB
PDBbind
15-mer
5ix1
RCSB PDB
PDBbind
15-mer
5izu
RCSB PDB
PDBbind
15-mer
5j19
RCSB PDB
PDBbind
15-mer
5j9k
RCSB PDB
PDBbind
15-mer
5jlz
RCSB PDB
PDBbind
15-mer
5ksu
RCSB PDB
PDBbind
15-mer
5ksv
RCSB PDB
PDBbind
15-mer
5kzp
RCSB PDB
PDBbind
15-mer
5lax
RCSB PDB
PDBbind
15-mer
5mlo
RCSB PDB
PDBbind
15-mer
5o45
RCSB PDB
PDBbind
15-mer
5svz
RCSB PDB
PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
RCSB PDB
PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5ul6
RCSB PDB
PDBbind
15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
RCSB PDB
PDBbind
15-mer
5vb9
RCSB PDB
PDBbind
15-mer
5vzy
RCSB PDB
PDBbind
15-mer
5wir
RCSB PDB
PDBbind
15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
PDBbind
15-mer
5zuj
RCSB PDB
PDBbind
15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
1kne
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
heterochromatin protein 1
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
2.4(Å)
Affinity (Kd/Ki/IC50)
Kd=2.5uM
Release Year
2002
Protein/NA Sequence
Check fasta file
Primary Reference
Science v295 pp. 2080-3, 2002
Ligand Properties
Formula
C
3
0
H
6
0
N
1
1
O
9
Molecular Weight
718.866
Exact Mass
718.458
No. of atoms
110
No. of bonds
109
Polar Surface Area
339.77
LOGP Value
-3.21 (
Computed with XLOGP3
)
-4.06 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 32
No. of Nitrogen and Oxygen Atoms: 20
No. of Rings: 0
Canonical SMILES
OC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CCC(=O)N)[NH3+])C)CCC[NH+]=C(N)N)CCCC[N+](C)(C)C)C=O
InChI String
InChI=1S/C30H57N11O9/c1-17(36-29(50)24(18(2)44)40-26(47)20(31)11-12-23(32)45)25(46)38-22(10-8-13-35-30(33)34)28(49)39-21(9-6-7-14-41(3,4)5)27(48)37-19(15-42)16-43/h15,17-22,24,43-44H,6-14,16,31H2,1-5H3,(H10-,32,33,34,35,36,37,38,39,40,45,46,47,48,49,50)/p+3/t17-,18+,19+,20-,21-,22-,24-/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):
P05205
P02299
Entrez Gene ID
NCBI Entrez Gene ID:
34119
318847
3771723
3771729
3771771
3771792
3771959
3772032
3772149
3772163
3772173
3772189
3772191
3772198
3772231
3772370
3772374
3772421
3772489
3772517
3772518
3772552
3772607
3772619
ASD
Information of known allosteric effects of PDB entries
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