Browse entries in the PDBbind-CN Database
HEADER 1IH0_COMPLEX COMPND 1IH0_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 71 GLY LYS SER GLU GLU GLU LEU SER ASP LEU PHE ARG MET SEQRES 2 A 71 PHE ASP LYS ASN ALA ASP GLY TYR ILE ASP LEU GLU GLU SEQRES 3 A 71 LEU LYS ILE MET LEU GLN ALA THR GLY GLU THR ILE THR SEQRES 4 A 71 GLU ASP ASP ILE GLU GLU LEU MET LYS ASP GLY ASP LYS SEQRES 5 A 71 ASN ASN ASP GLY ARG ILE ASP TYR ASP GLU PHE LEU GLU SEQRES 6 A 71 PHE MET LYS GLY VAL GLU HET CA A 1 1 HET CA A 2 1 HET EMD A 74 56 ATOM 1 N GLY A 91 58.030 11.018 17.931 1.00 0.00 N ATOM 2 CA GLY A 91 57.550 9.980 18.840 1.00 0.00 C ATOM 3 C GLY A 91 57.047 8.770 18.061 1.00 0.00 C ATOM 4 O GLY A 91 57.810 8.101 17.365 1.00 0.00 O ATOM 5 HA3 GLY A 91 56.735 10.381 19.443 1.00 0.00 H ATOM 6 HA2 GLY A 91 58.366 9.671 19.493 1.00 0.00 H ATOM 7 HN3 GLY A 91 57.253 11.318 17.308 1.00 0.00 H ATOM 8 HN2 GLY A 91 58.810 10.640 17.356 1.00 0.00 H ATOM 9 HN1 GLY A 91 58.367 11.832 18.483 1.00 0.00 H ATOM 10 N LYS A 92 55.750 8.498 18.186 1.00 0.00 N ATOM 11 CA LYS A 92 55.147 7.365 17.487 1.00 0.00 C ATOM 12 C LYS A 92 55.695 6.050 18.031 1.00 0.00 C ATOM 13 O LYS A 92 54.952 5.223 18.560 1.00 0.00 O ATOM 14 CB LYS A 92 55.440 7.444 15.987 1.00 0.00 C ATOM 15 CG LYS A 92 54.771 8.690 15.400 1.00 0.00 C ATOM 16 CD LYS A 92 54.853 8.644 13.873 1.00 0.00 C ATOM 17 CE LYS A 92 53.526 8.135 13.305 1.00 0.00 C ATOM 18 NZ LYS A 92 52.563 9.268 13.197 1.00 0.00 N ATOM 19 HA LYS A 92 54.070 7.405 17.649 1.00 0.00 H ATOM 20 HB2 LYS A 92 56.517 7.501 15.830 1.00 0.00 H ATOM 21 HB3 LYS A 92 55.049 6.555 15.493 1.00 0.00 H ATOM 22 HG2 LYS A 92 53.726 8.720 15.707 1.00 0.00 H ATOM 23 HG3 LYS A 92 55.281 9.582 15.764 1.00 0.00 H ATOM 24 HD2 LYS A 92 55.053 9.645 13.489 1.00 0.00 H ATOM 25 HD3 LYS A 92 55.658 7.974 13.572 1.00 0.00 H ATOM 26 HE2 LYS A 92 53.116 7.372 13.967 1.00 0.00 H ATOM 27 HE3 LYS A 92 53.694 7.706 12.317 1.00 0.00 H ATOM 28 HZ1 LYS A 92 52.403 9.676 14.140 1.00 0.00 H ATOM 29 HZ2 LYS A 92 52.955 9.995 12.565 1.00 0.00 H ATOM 30 HZ3 LYS A 92 51.662 8.920 12.811 1.00 0.00 H ATOM 31 H LYS A 92 55.156 9.101 18.791 1.00 0.00 H ATOM 32 N SER A 93 57.005 5.866 17.892 1.00 0.00 N ATOM 33 CA SER A 93 57.648 4.647 18.372 1.00 0.00 C ATOM 34 C SER A 93 57.389 3.492 17.409 1.00 0.00 C ATOM 35 O SER A 93 56.790 3.671 16.349 1.00 0.00 O ATOM 36 CB SER A 93 57.116 4.270 19.754 1.00 0.00 C ATOM 37 OG SER A 93 56.868 5.454 20.500 1.00 0.00 O ATOM 38 HA SER A 93 58.720 4.835 18.434 1.00 0.00 H ATOM 39 HB2 SER A 93 57.854 3.659 20.274 1.00 0.00 H ATOM 40 HB3 SER A 93 56.189 3.706 19.647 1.00 0.00 H ATOM 41 HG SER A 93 56.198 6.007 20.026 1.00 0.00 H ATOM 42 H SER A 93 57.580 6.602 17.434 1.00 0.00 H ATOM 43 N GLU A 94 57.849 2.304 17.793 1.00 0.00 N ATOM 44 CA GLU A 94 57.663 1.120 16.959 1.00 0.00 C ATOM 45 C GLU A 94 56.178 0.814 16.788 1.00 0.00 C ATOM 46 O GLU A 94 55.788 0.014 15.937 1.00 0.00 O ATOM 47 CB GLU A 94 58.348 -0.094 17.591 1.00 0.00 C ATOM 48 CG GLU A 94 59.859 0.142 17.647 1.00 0.00 C ATOM 49 CD GLU A 94 60.296 0.297 19.100 1.00 0.00 C ATOM 50 OE1 GLU A 94 60.202 -0.674 19.833 1.00 0.00 O ATOM 51 OE2 GLU A 94 60.718 1.384 19.458 1.00 0.00 O ATOM 52 HA GLU A 94 58.108 1.324 15.985 1.00 0.00 H ATOM 53 HB2 GLU A 94 57.966 -0.242 18.601 1.00 0.00 H ATOM 54 HB3 GLU A 94 58.141 -0.981 16.992 1.00 0.00 H ATOM 55 HG2 GLU A 94 60.376 -0.707 17.200 1.00 0.00 H ATOM 56 HG3 GLU A 94 60.106 1.048 17.094 1.00 0.00 H ATOM 57 H GLU A 94 58.349 2.217 18.701 1.00 0.00 H ATOM 58 N GLU A 95 55.354 1.458 17.610 1.00 0.00 N ATOM 59 CA GLU A 95 53.910 1.248 17.547 1.00 0.00 C ATOM 60 C GLU A 95 53.386 1.528 16.142 1.00 0.00 C ATOM 61 O GLU A 95 52.691 0.704 15.548 1.00 0.00 O ATOM 62 CB GLU A 95 53.193 2.169 18.537 1.00 0.00 C ATOM 63 CG GLU A 95 52.586 1.333 19.666 1.00 0.00 C ATOM 64 CD GLU A 95 51.374 2.058 20.242 1.00 0.00 C ATOM 65 OE1 GLU A 95 51.121 3.175 19.821 1.00 0.00 O ATOM 66 OE2 GLU A 95 50.716 1.485 21.095 1.00 0.00 O ATOM 67 HA GLU A 95 53.712 0.208 17.806 1.00 0.00 H ATOM 68 HB2 GLU A 95 53.906 2.880 18.954 1.00 0.00 H ATOM 69 HB3 GLU A 95 52.401 2.712 18.021 1.00 0.00 H ATOM 70 HG2 GLU A 95 52.278 0.363 19.275 1.00 0.00 H ATOM 71 HG3 GLU A 95 53.329 1.187 20.450 1.00 0.00 H ATOM 72 H GLU A 95 55.744 2.122 18.309 1.00 0.00 H ATOM 73 N GLU A 96 53.720 2.705 15.622 1.00 0.00 N ATOM 74 CA GLU A 96 53.271 3.093 14.287 1.00 0.00 C ATOM 75 C GLU A 96 54.076 2.370 13.210 1.00 0.00 C ATOM 76 O GLU A 96 53.554 2.037 12.146 1.00 0.00 O ATOM 77 CB GLU A 96 53.420 4.603 14.091 1.00 0.00 C ATOM 78 CG GLU A 96 52.035 5.253 14.075 1.00 0.00 C ATOM 79 CD GLU A 96 51.773 5.922 15.420 1.00 0.00 C ATOM 80 OE1 GLU A 96 52.410 5.535 16.386 1.00 0.00 O ATOM 81 OE2 GLU A 96 50.939 6.811 15.465 1.00 0.00 O ATOM 82 HA GLU A 96 52.221 2.814 14.197 1.00 0.00 H ATOM 83 HB2 GLU A 96 54.008 5.020 14.909 1.00 0.00 H ATOM 84 HB3 GLU A 96 53.925 4.799 13.145 1.00 0.00 H ATOM 85 HG2 GLU A 96 51.993 6.000 13.283 1.00 0.00 H ATOM 86 HG3 GLU A 96 51.277 4.491 13.894 1.00 0.00 H ATOM 87 H GLU A 96 54.310 3.360 16.174 1.00 0.00 H ATOM 88 N LEU A 97 55.355 2.137 13.492 1.00 0.00 N ATOM 89 CA LEU A 97 56.222 1.459 12.531 1.00 0.00 C ATOM 90 C LEU A 97 55.669 0.080 12.187 1.00 0.00 C ATOM 91 O LEU A 97 55.686 -0.340 11.030 1.00 0.00 O ATOM 92 CB LEU A 97 57.637 1.302 13.094 1.00 0.00 C ATOM 93 CG LEU A 97 58.141 2.646 13.630 1.00 0.00 C ATOM 94 CD1 LEU A 97 59.664 2.601 13.760 1.00 0.00 C ATOM 95 CD2 LEU A 97 57.751 3.771 12.666 1.00 0.00 C ATOM 96 HA LEU A 97 56.258 2.071 11.630 1.00 0.00 H ATOM 97 HB2 LEU A 97 57.625 0.572 13.903 1.00 0.00 H ATOM 98 HB3 LEU A 97 58.303 0.955 12.304 1.00 0.00 H ATOM 99 HG LEU A 97 57.691 2.834 14.605 1.00 0.00 H ATOM 100 HD21 LEU A 97 58.198 3.582 11.690 1.00 0.00 H ATOM 101 HD22 LEU A 97 56.666 3.806 12.570 1.00 0.00 H ATOM 102 HD23 LEU A 97 58.113 4.723 13.055 1.00 0.00 H ATOM 103 HD11 LEU A 97 59.945 1.805 14.449 1.00 0.00 H ATOM 104 HD12 LEU A 97 60.105 2.409 12.782 1.00 0.00 H ATOM 105 HD13 LEU A 97 60.023 3.557 14.141 1.00 0.00 H ATOM 106 H LEU A 97 55.743 2.441 14.408 1.00 0.00 H ATOM 107 N SER A 98 55.179 -0.622 13.204 1.00 0.00 N ATOM 108 CA SER A 98 54.624 -1.956 12.997 1.00 0.00 C ATOM 109 C SER A 98 53.524 -1.919 11.941 1.00 0.00 C ATOM 110 O SER A 98 53.518 -2.716 11.002 1.00 0.00 O ATOM 111 CB SER A 98 54.043 -2.504 14.300 1.00 0.00 C ATOM 112 OG SER A 98 55.062 -2.538 15.290 1.00 0.00 O ATOM 113 HA SER A 98 55.432 -2.605 12.659 1.00 0.00 H ATOM 114 HB2 SER A 98 53.662 -3.512 14.134 1.00 0.00 H ATOM 115 HB3 SER A 98 53.230 -1.860 14.636 1.00 0.00 H ATOM 116 HG SER A 98 55.406 -1.622 15.439 1.00 0.00 H ATOM 117 H SER A 98 55.191 -0.215 14.161 1.00 0.00 H ATOM 118 N ASP A 99 52.593 -0.984 12.106 1.00 0.00 N ATOM 119 CA ASP A 99 51.487 -0.849 11.162 1.00 0.00 C ATOM 120 C ASP A 99 52.010 -0.476 9.778 1.00 0.00 C ATOM 121 O ASP A 99 51.673 -1.111 8.779 1.00 0.00 O ATOM 122 CB ASP A 99 50.508 0.227 11.634 1.00 0.00 C ATOM 123 CG ASP A 99 49.484 -0.397 12.575 1.00 0.00 C ATOM 124 OD1 ASP A 99 49.729 -1.498 13.041 1.00 0.00 O ATOM 125 OD2 ASP A 99 48.468 0.234 12.817 1.00 0.00 O ATOM 126 HA ASP A 99 50.971 -1.808 11.108 1.00 0.00 H ATOM 127 HB2 ASP A 99 51.054 1.011 12.159 1.00 0.00 H ATOM 128 HB3 ASP A 99 49.996 0.657 10.773 1.00 0.00 H ATOM 129 H ASP A 99 52.653 -0.339 12.920 1.00 0.00 H ATOM 130 N LEU A 100 52.839 0.563 9.731 1.00 0.00 N ATOM 131 CA LEU A 100 53.406 1.014 8.464 1.00 0.00 C ATOM 132 C LEU A 100 53.848 -0.182 7.626 1.00 0.00 C ATOM 133 O LEU A 100 53.476 -0.310 6.459 1.00 0.00 O ATOM 134 CB LEU A 100 54.606 1.931 8.712 1.00 0.00 C ATOM 135 CG LEU A 100 54.119 3.372 8.873 1.00 0.00 C ATOM 136 CD1 LEU A 100 55.257 4.241 9.411 1.00 0.00 C ATOM 137 CD2 LEU A 100 53.666 3.911 7.515 1.00 0.00 C ATOM 138 HA LEU A 100 52.637 1.568 7.925 1.00 0.00 H ATOM 139 HB2 LEU A 100 55.122 1.618 9.619 1.00 0.00 H ATOM 140 HB3 LEU A 100 55.291 1.871 7.866 1.00 0.00 H ATOM 141 HG LEU A 100 53.283 3.396 9.572 1.00 0.00 H ATOM 142 HD21 LEU A 100 54.503 3.885 6.818 1.00 0.00 H ATOM 143 HD22 LEU A 100 52.854 3.293 7.133 1.00 0.00 H ATOM 144 HD23 LEU A 100 53.319 4.938 7.630 1.00 0.00 H ATOM 145 HD11 LEU A 100 55.580 3.857 10.379 1.00 0.00 H ATOM 146 HD12 LEU A 100 56.093 4.216 8.712 1.00 0.00 H ATOM 147 HD13 LEU A 100 54.907 5.267 9.524 1.00 0.00 H ATOM 148 H LEU A 100 53.087 1.061 10.610 1.00 0.00 H ATOM 149 N PHE A 101 54.640 -1.062 8.234 1.00 0.00 N ATOM 150 CA PHE A 101 55.117 -2.249 7.532 1.00 0.00 C ATOM 151 C PHE A 101 53.965 -2.905 6.779 1.00 0.00 C ATOM 152 O PHE A 101 54.029 -3.106 5.566 1.00 0.00 O ATOM 153 CB PHE A 101 55.707 -3.258 8.519 1.00 0.00 C ATOM 154 CG PHE A 101 56.570 -4.245 7.771 1.00 0.00 C ATOM 155 CD1 PHE A 101 55.998 -5.085 6.808 1.00 0.00 C ATOM 156 CD2 PHE A 101 57.942 -4.321 8.040 1.00 0.00 C ATOM 157 CE1 PHE A 101 56.798 -6.000 6.114 1.00 0.00 C ATOM 158 CE2 PHE A 101 58.742 -5.236 7.346 1.00 0.00 C ATOM 159 CZ PHE A 101 58.170 -6.076 6.383 1.00 0.00 C ATOM 160 HA PHE A 101 55.891 -1.942 6.829 1.00 0.00 H ATOM 161 HB2 PHE A 101 56.312 -2.733 9.258 1.00 0.00 H ATOM 162 HB3 PHE A 101 54.900 -3.789 9.023 1.00 0.00 H ATOM 163 HD2 PHE A 101 58.387 -3.667 8.790 1.00 0.00 H ATOM 164 HE2 PHE A 101 59.810 -5.295 7.555 1.00 0.00 H ATOM 165 HZ PHE A 101 58.793 -6.789 5.843 1.00 0.00 H ATOM 166 HE1 PHE A 101 56.353 -6.654 5.364 1.00 0.00 H ATOM 167 HD1 PHE A 101 54.930 -5.026 6.599 1.00 0.00 H ATOM 168 H PHE A 101 54.923 -0.902 9.222 1.00 0.00 H ATOM 169 N ARG A 102 52.901 -3.223 7.513 1.00 0.00 N ATOM 170 CA ARG A 102 51.727 -3.841 6.904 1.00 0.00 C ATOM 171 C ARG A 102 51.030 -2.825 6.012 1.00 0.00 C ATOM 172 O ARG A 102 50.485 -3.162 4.961 1.00 0.00 O ATOM 173 CB ARG A 102 50.749 -4.322 7.978 1.00 0.00 C ATOM 174 CG ARG A 102 49.460 -4.809 7.313 1.00 0.00 C ATOM 175 CD ARG A 102 48.411 -5.103 8.386 1.00 0.00 C ATOM 176 NE ARG A 102 48.490 -6.497 8.816 1.00 0.00 N ATOM 177 CZ ARG A 102 47.466 -7.087 9.425 1.00 0.00 C ATOM 178 NH1 ARG A 102 46.368 -6.418 9.653 1.00 0.00 N ATOM 179 NH2 ARG A 102 47.558 -8.335 9.796 1.00 0.00 N ATOM 180 HA ARG A 102 52.051 -4.699 6.315 1.00 0.00 H ATOM 181 HB2 ARG A 102 51.200 -5.140 8.540 1.00 0.00 H ATOM 182 HB3 ARG A 102 50.520 -3.500 8.656 1.00 0.00 H ATOM 183 HG2 ARG A 102 49.085 -4.038 6.640 1.00 0.00 H ATOM 184 HG3 ARG A 102 49.664 -5.717 6.746 1.00 0.00 H ATOM 185 HD2 ARG A 102 47.418 -4.909 7.979 1.00 0.00 H ATOM 186 HD3 ARG A 102 48.584 -4.453 9.244 1.00 0.00 H ATOM 187 HE ARG A 102 49.362 -7.037 8.643 1.00 0.00 H ATOM 188 HH12 ARG A 102 45.567 -6.880 10.129 1.00 0.00 H ATOM 189 HH11 ARG A 102 46.294 -5.423 9.358 1.00 0.00 H ATOM 190 HH22 ARG A 102 46.757 -8.796 10.272 1.00 0.00 H ATOM 191 HH21 ARG A 102 48.432 -8.868 9.615 1.00 0.00 H ATOM 192 H ARG A 102 52.906 -3.028 8.535 1.00 0.00 H ATOM 193 N MET A 103 51.070 -1.569 6.445 1.00 0.00 N ATOM 194 CA MET A 103 50.459 -0.487 5.687 1.00 0.00 C ATOM 195 C MET A 103 51.049 -0.444 4.283 1.00 0.00 C ATOM 196 O MET A 103 50.420 0.033 3.338 1.00 0.00 O ATOM 197 CB MET A 103 50.719 0.851 6.380 1.00 0.00 C ATOM 198 CG MET A 103 49.509 1.769 6.202 1.00 0.00 C ATOM 199 SD MET A 103 48.280 1.401 7.480 1.00 0.00 S ATOM 200 CE MET A 103 46.812 1.823 6.511 1.00 0.00 C ATOM 201 HA MET A 103 49.385 -0.663 5.629 1.00 0.00 H ATOM 202 HB2 MET A 103 50.892 0.681 7.443 1.00 0.00 H ATOM 203 HB3 MET A 103 51.599 1.322 5.941 1.00 0.00 H ATOM 204 HG2 MET A 103 49.070 1.606 5.218 1.00 0.00 H ATOM 205 HG3 MET A 103 49.825 2.808 6.290 1.00 0.00 H ATOM 206 HE1 MET A 103 46.867 2.868 6.207 1.00 0.00 H ATOM 207 HE2 MET A 103 46.767 1.188 5.626 1.00 0.00 H ATOM 208 HE3 MET A 103 45.920 1.667 7.118 1.00 0.00 H ATOM 209 H MET A 103 51.548 -1.355 7.344 1.00 0.00 H ATOM 210 N PHE A 104 52.271 -0.956 4.163 1.00 0.00 N ATOM 211 CA PHE A 104 52.958 -0.985 2.876 1.00 0.00 C ATOM 212 C PHE A 104 52.849 -2.374 2.254 1.00 0.00 C ATOM 213 O PHE A 104 52.818 -2.523 1.032 1.00 0.00 O ATOM 214 CB PHE A 104 54.435 -0.627 3.053 1.00 0.00 C ATOM 215 CG PHE A 104 54.921 0.121 1.836 1.00 0.00 C ATOM 216 CD1 PHE A 104 54.941 -0.512 0.587 1.00 0.00 C ATOM 217 CD2 PHE A 104 55.352 1.447 1.955 1.00 0.00 C ATOM 218 CE1 PHE A 104 55.391 0.183 -0.542 1.00 0.00 C ATOM 219 CE2 PHE A 104 55.801 2.142 0.826 1.00 0.00 C ATOM 220 CZ PHE A 104 55.821 1.510 -0.423 1.00 0.00 C ATOM 221 HA PHE A 104 52.487 -0.254 2.219 1.00 0.00 H ATOM 222 HB2 PHE A 104 54.554 0.000 3.937 1.00 0.00 H ATOM 223 HB3 PHE A 104 55.018 -1.540 3.176 1.00 0.00 H ATOM 224 HD2 PHE A 104 55.338 1.939 2.928 1.00 0.00 H ATOM 225 HE2 PHE A 104 56.135 3.175 0.919 1.00 0.00 H ATOM 226 HZ PHE A 104 56.171 2.051 -1.302 1.00 0.00 H ATOM 227 HE1 PHE A 104 55.407 -0.309 -1.514 1.00 0.00 H ATOM 228 HD1 PHE A 104 54.606 -1.545 0.494 1.00 0.00 H ATOM 229 H PHE A 104 52.746 -1.343 5.003 1.00 0.00 H ATOM 230 N ASP A 105 52.784 -3.389 3.111 1.00 0.00 N ATOM 231 CA ASP A 105 52.669 -4.765 2.639 1.00 0.00 C ATOM 232 C ASP A 105 51.259 -5.020 2.120 1.00 0.00 C ATOM 233 O ASP A 105 50.282 -4.916 2.863 1.00 0.00 O ATOM 234 CB ASP A 105 52.970 -5.750 3.770 1.00 0.00 C ATOM 235 CG ASP A 105 53.634 -6.997 3.196 1.00 0.00 C ATOM 236 OD1 ASP A 105 54.367 -6.863 2.230 1.00 0.00 O ATOM 237 OD2 ASP A 105 53.398 -8.069 3.730 1.00 0.00 O ATOM 238 HA ASP A 105 53.391 -4.911 1.836 1.00 0.00 H ATOM 239 HB2 ASP A 105 53.639 -5.281 4.492 1.00 0.00 H ATOM 240 HB3 ASP A 105 52.040 -6.029 4.266 1.00 0.00 H ATOM 241 H ASP A 105 52.816 -3.199 4.133 1.00 0.00 H ATOM 242 N LYS A 106 51.160 -5.345 0.836 1.00 0.00 N ATOM 243 CA LYS A 106 49.859 -5.601 0.227 1.00 0.00 C ATOM 244 C LYS A 106 49.726 -7.062 -0.190 1.00 0.00 C ATOM 245 O LYS A 106 48.729 -7.458 -0.794 1.00 0.00 O ATOM 246 CB LYS A 106 49.669 -4.719 -1.004 1.00 0.00 C ATOM 247 CG LYS A 106 48.934 -3.438 -0.608 1.00 0.00 C ATOM 248 CD LYS A 106 48.613 -2.631 -1.866 1.00 0.00 C ATOM 249 CE LYS A 106 47.992 -3.554 -2.918 1.00 0.00 C ATOM 250 NZ LYS A 106 47.209 -2.744 -3.893 1.00 0.00 N ATOM 251 HA LYS A 106 49.096 -5.371 0.971 1.00 0.00 H ATOM 252 HB2 LYS A 106 50.643 -4.464 -1.422 1.00 0.00 H ATOM 253 HB3 LYS A 106 49.084 -5.257 -1.750 1.00 0.00 H ATOM 254 HG2 LYS A 106 48.008 -3.693 -0.093 1.00 0.00 H ATOM 255 HG3 LYS A 106 49.565 -2.845 0.054 1.00 0.00 H ATOM 256 HD2 LYS A 106 47.910 -1.836 -1.619 1.00 0.00 H ATOM 257 HD3 LYS A 106 49.530 -2.193 -2.261 1.00 0.00 H ATOM 258 HE2 LYS A 106 47.332 -4.271 -2.429 1.00 0.00 H ATOM 259 HE3 LYS A 106 48.783 -4.090 -3.443 1.00 0.00 H ATOM 260 HZ1 LYS A 106 46.454 -2.234 -3.391 1.00 0.00 H ATOM 261 HZ2 LYS A 106 47.839 -2.061 -4.360 1.00 0.00 H ATOM 262 HZ3 LYS A 106 46.789 -3.373 -4.606 1.00 0.00 H ATOM 263 H LYS A 106 52.021 -5.418 0.257 1.00 0.00 H ATOM 264 N ASN A 107 50.737 -7.861 0.135 1.00 0.00 N ATOM 265 CA ASN A 107 50.709 -9.276 -0.219 1.00 0.00 C ATOM 266 C ASN A 107 50.712 -10.149 1.036 1.00 0.00 C ATOM 267 O ASN A 107 50.788 -11.375 0.953 1.00 0.00 O ATOM 268 CB ASN A 107 51.918 -9.638 -1.084 1.00 0.00 C ATOM 269 CG ASN A 107 53.202 -9.284 -0.343 1.00 0.00 C ATOM 270 OD1 ASN A 107 53.270 -9.393 0.881 1.00 0.00 O ATOM 271 ND2 ASN A 107 54.234 -8.861 -1.020 1.00 0.00 N ATOM 272 HA ASN A 107 49.793 -9.459 -0.781 1.00 0.00 H ATOM 273 HB2 ASN A 107 51.905 -10.707 -1.297 1.00 0.00 H ATOM 274 HB3 ASN A 107 51.874 -9.082 -2.020 1.00 0.00 H ATOM 275 HD22 ASN A 107 54.175 -8.769 -2.054 1.00 0.00 H ATOM 276 HD21 ASN A 107 55.115 -8.616 -0.525 1.00 0.00 H ATOM 277 H ASN A 107 51.556 -7.474 0.646 1.00 0.00 H ATOM 278 N ALA A 108 50.624 -9.505 2.198 1.00 0.00 N ATOM 279 CA ALA A 108 50.614 -10.234 3.466 1.00 0.00 C ATOM 280 C ALA A 108 51.697 -11.309 3.481 1.00 0.00 C ATOM 281 O ALA A 108 51.408 -12.499 3.604 1.00 0.00 O ATOM 282 CB ALA A 108 49.255 -10.899 3.690 1.00 0.00 C ATOM 283 HA ALA A 108 50.807 -9.516 4.263 1.00 0.00 H ATOM 284 HB1 ALA A 108 48.478 -10.135 3.714 1.00 0.00 H ATOM 285 HB2 ALA A 108 49.055 -11.598 2.877 1.00 0.00 H ATOM 286 HB3 ALA A 108 49.267 -11.437 4.638 1.00 0.00 H ATOM 287 H ALA A 108 50.561 -8.467 2.204 1.00 0.00 H ATOM 288 N ASP A 109 52.948 -10.877 3.353 1.00 0.00 N ATOM 289 CA ASP A 109 54.070 -11.815 3.351 1.00 0.00 C ATOM 290 C ASP A 109 55.128 -11.412 4.378 1.00 0.00 C ATOM 291 O ASP A 109 55.899 -12.247 4.852 1.00 0.00 O ATOM 292 CB ASP A 109 54.719 -11.867 1.966 1.00 0.00 C ATOM 293 CG ASP A 109 55.507 -10.584 1.723 1.00 0.00 C ATOM 294 OD1 ASP A 109 55.133 -9.567 2.286 1.00 0.00 O ATOM 295 OD2 ASP A 109 56.472 -10.637 0.980 1.00 0.00 O ATOM 296 HA ASP A 109 53.676 -12.797 3.612 1.00 0.00 H ATOM 297 HB2 ASP A 109 55.392 -12.723 1.912 1.00 0.00 H ATOM 298 HB3 ASP A 109 53.945 -11.967 1.205 1.00 0.00 H ATOM 299 H ASP A 109 53.131 -9.858 3.253 1.00 0.00 H ATOM 300 N GLY A 110 55.164 -10.124 4.713 1.00 0.00 N ATOM 301 CA GLY A 110 56.139 -9.628 5.680 1.00 0.00 C ATOM 302 C GLY A 110 57.360 -9.062 4.962 1.00 0.00 C ATOM 303 O GLY A 110 58.427 -8.898 5.553 1.00 0.00 O ATOM 304 HA3 GLY A 110 56.451 -10.447 6.328 1.00 0.00 H ATOM 305 HA2 GLY A 110 55.681 -8.844 6.282 1.00 0.00 H ATOM 306 H GLY A 110 54.489 -9.462 4.280 1.00 0.00 H ATOM 307 N TYR A 111 57.187 -8.768 3.676 1.00 0.00 N ATOM 308 CA TYR A 111 58.276 -8.221 2.873 1.00 0.00 C ATOM 309 C TYR A 111 57.720 -7.363 1.742 1.00 0.00 C ATOM 310 O TYR A 111 56.827 -7.783 1.007 1.00 0.00 O ATOM 311 CB TYR A 111 59.116 -9.348 2.269 1.00 0.00 C ATOM 312 CG TYR A 111 59.971 -9.977 3.343 1.00 0.00 C ATOM 313 CD1 TYR A 111 59.450 -11.000 4.144 1.00 0.00 C ATOM 314 CD2 TYR A 111 61.287 -9.540 3.535 1.00 0.00 C ATOM 315 CE1 TYR A 111 60.244 -11.587 5.136 1.00 0.00 C ATOM 316 CE2 TYR A 111 62.082 -10.126 4.528 1.00 0.00 C ATOM 317 CZ TYR A 111 61.560 -11.149 5.328 1.00 0.00 C ATOM 318 OH TYR A 111 62.344 -11.727 6.306 1.00 0.00 O ATOM 319 HA TYR A 111 58.901 -7.611 3.525 1.00 0.00 H ATOM 320 HB3 TYR A 111 59.757 -8.943 1.486 1.00 0.00 H ATOM 321 HB2 TYR A 111 58.456 -10.103 1.842 1.00 0.00 H ATOM 322 HD2 TYR A 111 61.693 -8.743 2.912 1.00 0.00 H ATOM 323 HE2 TYR A 111 63.107 -9.786 4.678 1.00 0.00 H ATOM 324 HE1 TYR A 111 59.838 -12.384 5.759 1.00 0.00 H ATOM 325 HD1 TYR A 111 58.425 -11.340 3.995 1.00 0.00 H ATOM 326 HH TYR A 111 61.823 -12.427 6.774 1.00 0.00 H ATOM 327 H TYR A 111 56.259 -8.931 3.235 1.00 0.00 H ATOM 328 N ILE A 112 58.261 -6.156 1.608 1.00 0.00 N ATOM 329 CA ILE A 112 57.814 -5.245 0.558 1.00 0.00 C ATOM 330 C ILE A 112 58.699 -5.387 -0.675 1.00 0.00 C ATOM 331 O ILE A 112 59.900 -5.634 -0.568 1.00 0.00 O ATOM 332 CB ILE A 112 57.864 -3.797 1.047 1.00 0.00 C ATOM 333 CG1 ILE A 112 56.812 -3.593 2.139 1.00 0.00 C ATOM 334 CG2 ILE A 112 57.575 -2.852 -0.120 1.00 0.00 C ATOM 335 CD1 ILE A 112 57.506 -3.260 3.460 1.00 0.00 C ATOM 336 HA ILE A 112 56.786 -5.502 0.301 1.00 0.00 H ATOM 337 HB ILE A 112 58.854 -3.584 1.449 1.00 0.00 H ATOM 338 HG12 ILE A 112 56.151 -2.773 1.859 1.00 0.00 H ATOM 339 HG13 ILE A 112 56.227 -4.505 2.255 1.00 0.00 H ATOM 340 HD11 ILE A 112 58.166 -4.081 3.739 1.00 0.00 H ATOM 341 HD12 ILE A 112 58.090 -2.347 3.342 1.00 0.00 H ATOM 342 HD13 ILE A 112 56.755 -3.115 4.237 1.00 0.00 H ATOM 343 HG21 ILE A 112 58.324 -2.998 -0.898 1.00 0.00 H ATOM 344 HG22 ILE A 112 56.585 -3.065 -0.522 1.00 0.00 H ATOM 345 HG23 ILE A 112 57.611 -1.821 0.232 1.00 0.00 H ATOM 346 H ILE A 112 59.013 -5.856 2.260 1.00 0.00 H ATOM 347 N ASP A 113 58.091 -5.232 -1.848 1.00 0.00 N ATOM 348 CA ASP A 113 58.834 -5.349 -3.101 1.00 0.00 C ATOM 349 C ASP A 113 58.527 -4.169 -4.017 1.00 0.00 C ATOM 350 O ASP A 113 57.593 -3.404 -3.778 1.00 0.00 O ATOM 351 CB ASP A 113 58.464 -6.646 -3.822 1.00 0.00 C ATOM 352 CG ASP A 113 56.948 -6.811 -3.830 1.00 0.00 C ATOM 353 OD1 ASP A 113 56.265 -5.843 -3.540 1.00 0.00 O ATOM 354 OD2 ASP A 113 56.492 -7.903 -4.127 1.00 0.00 O ATOM 355 HA ASP A 113 59.897 -5.355 -2.861 1.00 0.00 H ATOM 356 HB2 ASP A 113 58.831 -6.609 -4.848 1.00 0.00 H ATOM 357 HB3 ASP A 113 58.919 -7.491 -3.305 1.00 0.00 H ATOM 358 H ASP A 113 57.072 -5.025 -1.874 1.00 0.00 H ATOM 359 N LEU A 114 59.326 -4.033 -5.073 1.00 0.00 N ATOM 360 CA LEU A 114 59.133 -2.945 -6.026 1.00 0.00 C ATOM 361 C LEU A 114 57.771 -3.067 -6.702 1.00 0.00 C ATOM 362 O LEU A 114 57.063 -2.078 -6.888 1.00 0.00 O ATOM 363 CB LEU A 114 60.227 -2.969 -7.097 1.00 0.00 C ATOM 364 CG LEU A 114 60.681 -1.540 -7.400 1.00 0.00 C ATOM 365 CD1 LEU A 114 61.578 -1.037 -6.267 1.00 0.00 C ATOM 366 CD2 LEU A 114 61.466 -1.523 -8.713 1.00 0.00 C ATOM 367 HA LEU A 114 59.185 -2.004 -5.478 1.00 0.00 H ATOM 368 HB2 LEU A 114 61.075 -3.551 -6.736 1.00 0.00 H ATOM 369 HB3 LEU A 114 59.835 -3.426 -8.006 1.00 0.00 H ATOM 370 HG LEU A 114 59.808 -0.893 -7.487 1.00 0.00 H ATOM 371 HD21 LEU A 114 62.338 -2.171 -8.622 1.00 0.00 H ATOM 372 HD22 LEU A 114 60.828 -1.882 -9.521 1.00 0.00 H ATOM 373 HD23 LEU A 114 61.789 -0.505 -8.928 1.00 0.00 H ATOM 374 HD11 LEU A 114 61.020 -1.050 -5.331 1.00 0.00 H ATOM 375 HD12 LEU A 114 62.450 -1.685 -6.181 1.00 0.00 H ATOM 376 HD13 LEU A 114 61.900 -0.019 -6.485 1.00 0.00 H ATOM 377 H LEU A 114 60.099 -4.712 -5.221 1.00 0.00 H ATOM 378 N GLU A 115 57.410 -4.296 -7.065 1.00 0.00 N ATOM 379 CA GLU A 115 56.127 -4.541 -7.718 1.00 0.00 C ATOM 380 C GLU A 115 54.996 -3.896 -6.922 1.00 0.00 C ATOM 381 O GLU A 115 53.989 -3.465 -7.482 1.00 0.00 O ATOM 382 CB GLU A 115 55.861 -6.044 -7.835 1.00 0.00 C ATOM 383 CG GLU A 115 56.541 -6.590 -9.093 1.00 0.00 C ATOM 384 CD GLU A 115 55.958 -7.957 -9.435 1.00 0.00 C ATOM 385 OE1 GLU A 115 56.407 -8.932 -8.856 1.00 0.00 O ATOM 386 OE2 GLU A 115 55.071 -8.009 -10.272 1.00 0.00 O ATOM 387 HA GLU A 115 56.168 -4.103 -8.716 1.00 0.00 H ATOM 388 HB2 GLU A 115 56.260 -6.553 -6.957 1.00 0.00 H ATOM 389 HB3 GLU A 115 54.787 -6.219 -7.898 1.00 0.00 H ATOM 390 HG2 GLU A 115 56.372 -5.905 -9.924 1.00 0.00 H ATOM 391 HG3 GLU A 115 57.612 -6.686 -8.915 1.00 0.00 H ATOM 392 H GLU A 115 58.051 -5.094 -6.881 1.00 0.00 H ATOM 393 N GLU A 116 55.178 -3.835 -5.605 1.00 0.00 N ATOM 394 CA GLU A 116 54.169 -3.239 -4.732 1.00 0.00 C ATOM 395 C GLU A 116 54.398 -1.736 -4.606 1.00 0.00 C ATOM 396 O GLU A 116 53.458 -0.944 -4.663 1.00 0.00 O ATOM 397 CB GLU A 116 54.225 -3.866 -3.337 1.00 0.00 C ATOM 398 CG GLU A 116 53.534 -5.231 -3.361 1.00 0.00 C ATOM 399 CD GLU A 116 53.702 -5.907 -2.004 1.00 0.00 C ATOM 400 OE1 GLU A 116 54.726 -5.689 -1.378 1.00 0.00 O ATOM 401 OE2 GLU A 116 52.803 -6.632 -1.611 1.00 0.00 O ATOM 402 HA GLU A 116 53.191 -3.426 -5.174 1.00 0.00 H ATOM 403 HB2 GLU A 116 55.265 -3.991 -3.036 1.00 0.00 H ATOM 404 HB3 GLU A 116 53.718 -3.215 -2.625 1.00 0.00 H ATOM 405 HG2 GLU A 116 52.473 -5.098 -3.573 1.00 0.00 H ATOM 406 HG3 GLU A 116 53.983 -5.853 -4.136 1.00 0.00 H ATOM 407 H GLU A 116 56.052 -4.217 -5.191 1.00 0.00 H ATOM 408 N LEU A 117 55.660 -1.354 -4.433 1.00 0.00 N ATOM 409 CA LEU A 117 56.004 0.059 -4.299 1.00 0.00 C ATOM 410 C LEU A 117 55.234 0.890 -5.319 1.00 0.00 C ATOM 411 O LEU A 117 54.407 1.728 -4.961 1.00 0.00 O ATOM 412 CB LEU A 117 57.505 0.269 -4.514 1.00 0.00 C ATOM 413 CG LEU A 117 58.153 0.699 -3.197 1.00 0.00 C ATOM 414 CD1 LEU A 117 58.793 -0.515 -2.522 1.00 0.00 C ATOM 415 CD2 LEU A 117 59.229 1.751 -3.477 1.00 0.00 C ATOM 416 HA LEU A 117 55.736 0.378 -3.292 1.00 0.00 H ATOM 417 HB2 LEU A 117 57.957 -0.662 -4.855 1.00 0.00 H ATOM 418 HB3 LEU A 117 57.660 1.043 -5.265 1.00 0.00 H ATOM 419 HG LEU A 117 57.393 1.121 -2.540 1.00 0.00 H ATOM 420 HD21 LEU A 117 59.988 1.327 -4.134 1.00 0.00 H ATOM 421 HD22 LEU A 117 58.773 2.616 -3.958 1.00 0.00 H ATOM 422 HD23 LEU A 117 59.690 2.056 -2.538 1.00 0.00 H ATOM 423 HD11 LEU A 117 58.027 -1.264 -2.323 1.00 0.00 H ATOM 424 HD12 LEU A 117 59.553 -0.937 -3.180 1.00 0.00 H ATOM 425 HD13 LEU A 117 59.254 -0.206 -1.584 1.00 0.00 H ATOM 426 H LEU A 117 56.412 -2.071 -4.393 1.00 0.00 H ATOM 427 N LYS A 118 55.511 0.645 -6.597 1.00 0.00 N ATOM 428 CA LYS A 118 54.833 1.375 -7.665 1.00 0.00 C ATOM 429 C LYS A 118 53.339 1.469 -7.374 1.00 0.00 C ATOM 430 O LYS A 118 52.734 2.534 -7.493 1.00 0.00 O ATOM 431 CB LYS A 118 55.036 0.671 -9.008 1.00 0.00 C ATOM 432 CG LYS A 118 56.513 0.735 -9.401 1.00 0.00 C ATOM 433 CD LYS A 118 56.958 -0.630 -9.928 1.00 0.00 C ATOM 434 CE LYS A 118 58.017 -0.436 -11.015 1.00 0.00 C ATOM 435 NZ LYS A 118 57.645 -1.235 -12.217 1.00 0.00 N ATOM 436 HA LYS A 118 55.260 2.377 -7.714 1.00 0.00 H ATOM 437 HB2 LYS A 118 54.728 -0.371 -8.922 1.00 0.00 H ATOM 438 HB3 LYS A 118 54.435 1.165 -9.772 1.00 0.00 H ATOM 439 HG2 LYS A 118 56.651 1.487 -10.177 1.00 0.00 H ATOM 440 HG3 LYS A 118 57.110 1.001 -8.529 1.00 0.00 H ATOM 441 HD2 LYS A 118 57.379 -1.216 -9.111 1.00 0.00 H ATOM 442 HD3 LYS A 118 56.100 -1.156 -10.346 1.00 0.00 H ATOM 443 HE2 LYS A 118 58.986 -0.768 -10.643 1.00 0.00 H ATOM 444 HE3 LYS A 118 58.075 0.619 -11.283 1.00 0.00 H ATOM 445 HZ1 LYS A 118 57.591 -2.241 -11.960 1.00 0.00 H ATOM 446 HZ2 LYS A 118 56.721 -0.916 -12.571 1.00 0.00 H ATOM 447 HZ3 LYS A 118 58.365 -1.103 -12.956 1.00 0.00 H ATOM 448 H LYS A 118 56.220 -0.076 -6.839 1.00 0.00 H ATOM 449 N ILE A 119 52.751 0.341 -6.987 1.00 0.00 N ATOM 450 CA ILE A 119 51.325 0.307 -6.677 1.00 0.00 C ATOM 451 C ILE A 119 51.020 1.242 -5.512 1.00 0.00 C ATOM 452 O ILE A 119 49.918 1.777 -5.397 1.00 0.00 O ATOM 453 CB ILE A 119 50.887 -1.110 -6.307 1.00 0.00 C ATOM 454 CG1 ILE A 119 51.153 -2.051 -7.485 1.00 0.00 C ATOM 455 CG2 ILE A 119 49.392 -1.114 -5.983 1.00 0.00 C ATOM 456 CD1 ILE A 119 50.918 -3.496 -7.046 1.00 0.00 C ATOM 457 HA ILE A 119 50.778 0.631 -7.562 1.00 0.00 H ATOM 458 HB ILE A 119 51.450 -1.447 -5.437 1.00 0.00 H ATOM 459 HG12 ILE A 119 50.479 -1.806 -8.306 1.00 0.00 H ATOM 460 HG13 ILE A 119 52.185 -1.935 -7.817 1.00 0.00 H ATOM 461 HD11 ILE A 119 51.593 -3.740 -6.226 1.00 0.00 H ATOM 462 HD12 ILE A 119 49.886 -3.610 -6.715 1.00 0.00 H ATOM 463 HD13 ILE A 119 51.108 -4.165 -7.885 1.00 0.00 H ATOM 464 HG21 ILE A 119 49.201 -0.444 -5.145 1.00 0.00 H ATOM 465 HG22 ILE A 119 48.832 -0.776 -6.855 1.00 0.00 H ATOM 466 HG23 ILE A 119 49.081 -2.125 -5.719 1.00 0.00 H ATOM 467 H ILE A 119 53.315 -0.529 -6.904 1.00 0.00 H ATOM 468 N MET A 120 52.016 1.433 -4.652 1.00 0.00 N ATOM 469 CA MET A 120 51.855 2.310 -3.496 1.00 0.00 C ATOM 470 C MET A 120 51.852 3.768 -3.941 1.00 0.00 C ATOM 471 O MET A 120 51.101 4.592 -3.417 1.00 0.00 O ATOM 472 CB MET A 120 52.997 2.096 -2.500 1.00 0.00 C ATOM 473 CG MET A 120 52.492 2.355 -1.079 1.00 0.00 C ATOM 474 SD MET A 120 51.489 0.952 -0.530 1.00 0.00 S ATOM 475 CE MET A 120 49.871 1.658 -0.930 1.00 0.00 C ATOM 476 HA MET A 120 50.906 2.070 -3.015 1.00 0.00 H ATOM 477 HB2 MET A 120 53.358 1.070 -2.576 1.00 0.00 H ATOM 478 HB3 MET A 120 53.811 2.784 -2.727 1.00 0.00 H ATOM 479 HG2 MET A 120 51.887 3.261 -1.068 1.00 0.00 H ATOM 480 HG3 MET A 120 53.342 2.479 -0.408 1.00 0.00 H ATOM 481 HE1 MET A 120 49.729 2.580 -0.366 1.00 0.00 H ATOM 482 HE2 MET A 120 49.824 1.873 -1.998 1.00 0.00 H ATOM 483 HE3 MET A 120 49.090 0.945 -0.667 1.00 0.00 H ATOM 484 H MET A 120 52.924 0.950 -4.805 1.00 0.00 H ATOM 485 N LEU A 121 52.701 4.075 -4.919 1.00 0.00 N ATOM 486 CA LEU A 121 52.792 5.437 -5.436 1.00 0.00 C ATOM 487 C LEU A 121 51.559 5.767 -6.270 1.00 0.00 C ATOM 488 O LEU A 121 50.859 6.746 -6.011 1.00 0.00 O ATOM 489 CB LEU A 121 54.043 5.599 -6.305 1.00 0.00 C ATOM 490 CG LEU A 121 55.261 5.049 -5.560 1.00 0.00 C ATOM 491 CD1 LEU A 121 56.541 5.494 -6.272 1.00 0.00 C ATOM 492 CD2 LEU A 121 55.267 5.583 -4.126 1.00 0.00 C ATOM 493 HA LEU A 121 52.853 6.119 -4.588 1.00 0.00 H ATOM 494 HB2 LEU A 121 53.910 5.051 -7.238 1.00 0.00 H ATOM 495 HB3 LEU A 121 54.198 6.655 -6.524 1.00 0.00 H ATOM 496 HG LEU A 121 55.213 3.960 -5.544 1.00 0.00 H ATOM 497 HD21 LEU A 121 55.314 6.672 -4.145 1.00 0.00 H ATOM 498 HD22 LEU A 121 54.356 5.266 -3.618 1.00 0.00 H ATOM 499 HD23 LEU A 121 56.135 5.190 -3.597 1.00 0.00 H ATOM 500 HD11 LEU A 121 56.538 5.114 -7.294 1.00 0.00 H ATOM 501 HD12 LEU A 121 56.586 6.583 -6.288 1.00 0.00 H ATOM 502 HD13 LEU A 121 57.407 5.101 -5.739 1.00 0.00 H ATOM 503 H LEU A 121 53.309 3.333 -5.321 1.00 0.00 H ATOM 504 N GLN A 122 51.300 4.934 -7.274 1.00 0.00 N ATOM 505 CA GLN A 122 50.145 5.139 -8.144 1.00 0.00 C ATOM 506 C GLN A 122 48.879 5.318 -7.312 1.00 0.00 C ATOM 507 O GLN A 122 47.924 5.966 -7.740 1.00 0.00 O ATOM 508 CB GLN A 122 49.960 3.941 -9.077 1.00 0.00 C ATOM 509 CG GLN A 122 51.153 3.845 -10.030 1.00 0.00 C ATOM 510 CD GLN A 122 50.886 2.761 -11.070 1.00 0.00 C ATOM 511 OE1 GLN A 122 49.871 2.068 -11.006 1.00 0.00 O ATOM 512 NE2 GLN A 122 51.745 2.572 -12.033 1.00 0.00 N ATOM 513 HA GLN A 122 50.323 6.037 -8.736 1.00 0.00 H ATOM 514 HB2 GLN A 122 49.893 3.027 -8.486 1.00 0.00 H ATOM 515 HB3 GLN A 122 49.044 4.068 -9.654 1.00 0.00 H ATOM 516 HG2 GLN A 122 51.296 4.802 -10.531 1.00 0.00 H ATOM 517 HG3 GLN A 122 52.051 3.594 -9.465 1.00 0.00 H ATOM 518 HE22 GLN A 122 52.603 3.158 -12.087 1.00 0.00 H ATOM 519 HE21 GLN A 122 51.572 1.836 -12.747 1.00 0.00 H ATOM 520 H GLN A 122 51.930 4.124 -7.442 1.00 0.00 H ATOM 521 N ALA A 123 48.882 4.730 -6.119 1.00 0.00 N ATOM 522 CA ALA A 123 47.728 4.824 -5.229 1.00 0.00 C ATOM 523 C ALA A 123 47.716 6.167 -4.503 1.00 0.00 C ATOM 524 O ALA A 123 46.656 6.739 -4.247 1.00 0.00 O ATOM 525 CB ALA A 123 47.759 3.695 -4.195 1.00 0.00 C ATOM 526 HA ALA A 123 46.827 4.736 -5.837 1.00 0.00 H ATOM 527 HB1 ALA A 123 47.735 2.734 -4.708 1.00 0.00 H ATOM 528 HB2 ALA A 123 48.672 3.771 -3.604 1.00 0.00 H ATOM 529 HB3 ALA A 123 46.892 3.780 -3.540 1.00 0.00 H ATOM 530 H ALA A 123 49.720 4.194 -5.815 1.00 0.00 H ATOM 531 N THR A 124 48.905 6.663 -4.171 1.00 0.00 N ATOM 532 CA THR A 124 49.016 7.941 -3.470 1.00 0.00 C ATOM 533 C THR A 124 49.391 9.063 -4.437 1.00 0.00 C ATOM 534 O THR A 124 49.599 10.206 -4.031 1.00 0.00 O ATOM 535 CB THR A 124 50.079 7.859 -2.373 1.00 0.00 C ATOM 536 OG1 THR A 124 50.057 9.054 -1.605 1.00 0.00 O ATOM 537 CG2 THR A 124 51.459 7.685 -3.010 1.00 0.00 C ATOM 538 HA THR A 124 48.045 8.158 -3.026 1.00 0.00 H ATOM 539 HB THR A 124 49.870 7.007 -1.726 1.00 0.00 H ATOM 540 HG1 THR A 124 50.247 9.827 -2.194 1.00 0.00 H ATOM 541 HG23 THR A 124 51.473 6.768 -3.598 1.00 0.00 H ATOM 542 HG21 THR A 124 51.669 8.537 -3.657 1.00 0.00 H ATOM 543 HG22 THR A 124 52.215 7.627 -2.227 1.00 0.00 H ATOM 544 H THR A 124 49.767 6.134 -4.413 1.00 0.00 H ATOM 545 N GLY A 125 49.476 8.725 -5.721 1.00 0.00 N ATOM 546 CA GLY A 125 49.827 9.715 -6.735 1.00 0.00 C ATOM 547 C GLY A 125 50.830 9.138 -7.728 1.00 0.00 C ATOM 548 O GLY A 125 52.042 9.250 -7.545 1.00 0.00 O ATOM 549 HA3 GLY A 125 50.266 10.586 -6.248 1.00 0.00 H ATOM 550 HA2 GLY A 125 48.926 10.015 -7.270 1.00 0.00 H ATOM 551 H GLY A 125 49.290 7.742 -6.006 1.00 0.00 H ATOM 552 N GLU A 126 50.306 8.520 -8.782 1.00 0.00 N ATOM 553 CA GLU A 126 51.157 7.924 -9.808 1.00 0.00 C ATOM 554 C GLU A 126 52.066 8.989 -10.428 1.00 0.00 C ATOM 555 O GLU A 126 52.545 9.885 -9.732 1.00 0.00 O ATOM 556 CB GLU A 126 50.293 7.272 -10.892 1.00 0.00 C ATOM 557 CG GLU A 126 49.488 8.347 -11.626 1.00 0.00 C ATOM 558 CD GLU A 126 48.795 7.725 -12.833 1.00 0.00 C ATOM 559 OE1 GLU A 126 48.636 6.516 -12.842 1.00 0.00 O ATOM 560 OE2 GLU A 126 48.434 8.467 -13.732 1.00 0.00 O ATOM 561 HA GLU A 126 51.781 7.159 -9.346 1.00 0.00 H ATOM 562 HB2 GLU A 126 50.935 6.751 -11.603 1.00 0.00 H ATOM 563 HB3 GLU A 126 49.610 6.559 -10.431 1.00 0.00 H ATOM 564 HG2 GLU A 126 48.740 8.765 -10.952 1.00 0.00 H ATOM 565 HG3 GLU A 126 50.158 9.139 -11.959 1.00 0.00 H ATOM 566 H GLU A 126 49.272 8.460 -8.877 1.00 0.00 H ATOM 567 N THR A 127 52.310 8.885 -11.736 1.00 0.00 N ATOM 568 CA THR A 127 53.170 9.849 -12.420 1.00 0.00 C ATOM 569 C THR A 127 54.403 10.149 -11.575 1.00 0.00 C ATOM 570 O THR A 127 54.689 11.302 -11.252 1.00 0.00 O ATOM 571 CB THR A 127 52.416 11.154 -12.692 1.00 0.00 C ATOM 572 OG1 THR A 127 53.303 12.095 -13.281 1.00 0.00 O ATOM 573 CG2 THR A 127 51.869 11.721 -11.381 1.00 0.00 C ATOM 574 HA THR A 127 53.476 9.411 -13.370 1.00 0.00 H ATOM 575 HB THR A 127 51.586 10.956 -13.370 1.00 0.00 H ATOM 576 HG1 THR A 127 54.056 12.269 -12.662 1.00 0.00 H ATOM 577 HG23 THR A 127 51.189 10.999 -10.930 1.00 0.00 H ATOM 578 HG21 THR A 127 52.696 11.918 -10.699 1.00 0.00 H ATOM 579 HG22 THR A 127 51.334 12.649 -11.583 1.00 0.00 H ATOM 580 H THR A 127 51.882 8.107 -12.277 1.00 0.00 H ATOM 581 N ILE A 128 55.131 9.093 -11.224 1.00 0.00 N ATOM 582 CA ILE A 128 56.338 9.242 -10.417 1.00 0.00 C ATOM 583 C ILE A 128 57.545 8.696 -11.176 1.00 0.00 C ATOM 584 O ILE A 128 57.587 7.523 -11.546 1.00 0.00 O ATOM 585 CB ILE A 128 56.180 8.494 -9.087 1.00 0.00 C ATOM 586 CG1 ILE A 128 55.284 9.314 -8.153 1.00 0.00 C ATOM 587 CG2 ILE A 128 57.549 8.290 -8.430 1.00 0.00 C ATOM 588 CD1 ILE A 128 56.065 10.516 -7.614 1.00 0.00 C ATOM 589 HA ILE A 128 56.494 10.301 -10.212 1.00 0.00 H ATOM 590 HB ILE A 128 55.729 7.520 -9.275 1.00 0.00 H ATOM 591 HG12 ILE A 128 54.411 9.666 -8.704 1.00 0.00 H ATOM 592 HG13 ILE A 128 54.959 8.689 -7.321 1.00 0.00 H ATOM 593 HD11 ILE A 128 56.937 10.164 -7.063 1.00 0.00 H ATOM 594 HD12 ILE A 128 56.388 11.141 -8.447 1.00 0.00 H ATOM 595 HD13 ILE A 128 55.424 11.096 -6.950 1.00 0.00 H ATOM 596 HG21 ILE A 128 58.186 7.707 -9.095 1.00 0.00 H ATOM 597 HG22 ILE A 128 58.009 9.260 -8.242 1.00 0.00 H ATOM 598 HG23 ILE A 128 57.422 7.758 -7.487 1.00 0.00 H ATOM 599 H ILE A 128 54.835 8.144 -11.530 1.00 0.00 H ATOM 600 N THR A 129 58.525 9.566 -11.407 1.00 0.00 N ATOM 601 CA THR A 129 59.731 9.166 -12.127 1.00 0.00 C ATOM 602 C THR A 129 60.271 7.851 -11.575 1.00 0.00 C ATOM 603 O THR A 129 60.068 7.522 -10.406 1.00 0.00 O ATOM 604 CB THR A 129 60.812 10.244 -12.003 1.00 0.00 C ATOM 605 OG1 THR A 129 62.056 9.718 -12.441 1.00 0.00 O ATOM 606 CG2 THR A 129 60.928 10.688 -10.544 1.00 0.00 C ATOM 607 HA THR A 129 59.468 9.037 -13.177 1.00 0.00 H ATOM 608 HB THR A 129 60.543 11.101 -12.620 1.00 0.00 H ATOM 609 HG1 THR A 129 62.754 10.415 -12.361 1.00 0.00 H ATOM 610 HG23 THR A 129 59.972 11.091 -10.211 1.00 0.00 H ATOM 611 HG21 THR A 129 61.198 9.832 -9.925 1.00 0.00 H ATOM 612 HG22 THR A 129 61.697 11.456 -10.459 1.00 0.00 H ATOM 613 H THR A 129 58.431 10.545 -11.070 1.00 0.00 H ATOM 614 N GLU A 130 60.958 7.100 -12.432 1.00 0.00 N ATOM 615 CA GLU A 130 61.522 5.816 -12.022 1.00 0.00 C ATOM 616 C GLU A 130 62.649 6.021 -11.014 1.00 0.00 C ATOM 617 O GLU A 130 63.097 5.077 -10.364 1.00 0.00 O ATOM 618 CB GLU A 130 62.070 5.058 -13.233 1.00 0.00 C ATOM 619 CG GLU A 130 62.642 3.714 -12.776 1.00 0.00 C ATOM 620 CD GLU A 130 61.959 2.583 -13.539 1.00 0.00 C ATOM 621 OE1 GLU A 130 62.125 2.524 -14.746 1.00 0.00 O ATOM 622 OE2 GLU A 130 61.281 1.792 -12.904 1.00 0.00 O ATOM 623 HA GLU A 130 60.724 5.235 -11.560 1.00 0.00 H ATOM 624 HB2 GLU A 130 61.266 4.887 -13.949 1.00 0.00 H ATOM 625 HB3 GLU A 130 62.857 5.647 -13.705 1.00 0.00 H ATOM 626 HG2 GLU A 130 63.714 3.690 -12.973 1.00 0.00 H ATOM 627 HG3 GLU A 130 62.467 3.589 -11.707 1.00 0.00 H ATOM 628 H GLU A 130 61.096 7.432 -13.408 1.00 0.00 H ATOM 629 N ASP A 131 63.102 7.266 -10.890 1.00 0.00 N ATOM 630 CA ASP A 131 64.178 7.582 -9.955 1.00 0.00 C ATOM 631 C ASP A 131 63.642 7.676 -8.528 1.00 0.00 C ATOM 632 O ASP A 131 64.383 7.978 -7.592 1.00 0.00 O ATOM 633 CB ASP A 131 64.839 8.911 -10.328 1.00 0.00 C ATOM 634 CG ASP A 131 66.303 8.670 -10.678 1.00 0.00 C ATOM 635 OD1 ASP A 131 66.644 7.534 -10.966 1.00 0.00 O ATOM 636 OD2 ASP A 131 67.063 9.624 -10.653 1.00 0.00 O ATOM 637 HA ASP A 131 64.915 6.781 -10.011 1.00 0.00 H ATOM 638 HB2 ASP A 131 64.326 9.344 -11.187 1.00 0.00 H ATOM 639 HB3 ASP A 131 64.775 9.598 -9.484 1.00 0.00 H ATOM 640 H ASP A 131 62.684 8.024 -11.467 1.00 0.00 H ATOM 641 N ASP A 132 62.346 7.415 -8.370 1.00 0.00 N ATOM 642 CA ASP A 132 61.722 7.473 -7.051 1.00 0.00 C ATOM 643 C ASP A 132 61.370 6.072 -6.566 1.00 0.00 C ATOM 644 O ASP A 132 61.124 5.853 -5.381 1.00 0.00 O ATOM 645 CB ASP A 132 60.450 8.320 -7.098 1.00 0.00 C ATOM 646 CG ASP A 132 60.668 9.608 -6.312 1.00 0.00 C ATOM 647 OD1 ASP A 132 61.479 10.411 -6.743 1.00 0.00 O ATOM 648 OD2 ASP A 132 60.020 9.773 -5.291 1.00 0.00 O ATOM 649 HA ASP A 132 62.434 7.927 -6.361 1.00 0.00 H ATOM 650 HB2 ASP A 132 60.212 8.562 -8.134 1.00 0.00 H ATOM 651 HB3 ASP A 132 59.624 7.761 -6.658 1.00 0.00 H ATOM 652 H ASP A 132 61.769 7.166 -9.199 1.00 0.00 H ATOM 653 N ILE A 133 61.347 5.125 -7.498 1.00 0.00 N ATOM 654 CA ILE A 133 61.023 3.744 -7.157 1.00 0.00 C ATOM 655 C ILE A 133 62.282 2.984 -6.751 1.00 0.00 C ATOM 656 O ILE A 133 62.337 2.368 -5.686 1.00 0.00 O ATOM 657 CB ILE A 133 60.375 3.036 -8.346 1.00 0.00 C ATOM 658 CG1 ILE A 133 59.304 3.944 -8.957 1.00 0.00 C ATOM 659 CG2 ILE A 133 59.727 1.733 -7.874 1.00 0.00 C ATOM 660 CD1 ILE A 133 58.704 3.266 -10.190 1.00 0.00 C ATOM 661 HA ILE A 133 60.324 3.761 -6.321 1.00 0.00 H ATOM 662 HB ILE A 133 61.136 2.813 -9.094 1.00 0.00 H ATOM 663 HG12 ILE A 133 58.519 4.125 -8.223 1.00 0.00 H ATOM 664 HG13 ILE A 133 59.754 4.893 -9.247 1.00 0.00 H ATOM 665 HD11 ILE A 133 59.490 3.086 -10.923 1.00 0.00 H ATOM 666 HD12 ILE A 133 58.254 2.317 -9.898 1.00 0.00 H ATOM 667 HD13 ILE A 133 57.942 3.913 -10.624 1.00 0.00 H ATOM 668 HG21 ILE A 133 60.489 1.087 -7.437 1.00 0.00 H ATOM 669 HG22 ILE A 133 58.967 1.957 -7.126 1.00 0.00 H ATOM 670 HG23 ILE A 133 59.265 1.230 -8.724 1.00 0.00 H ATOM 671 H ILE A 133 61.563 5.372 -8.485 1.00 0.00 H ATOM 672 N GLU A 134 63.294 3.031 -7.614 1.00 0.00 N ATOM 673 CA GLU A 134 64.550 2.339 -7.338 1.00 0.00 C ATOM 674 C GLU A 134 65.399 3.137 -6.352 1.00 0.00 C ATOM 675 O GLU A 134 65.882 2.603 -5.354 1.00 0.00 O ATOM 676 CB GLU A 134 65.345 2.132 -8.629 1.00 0.00 C ATOM 677 CG GLU A 134 65.394 0.640 -8.964 1.00 0.00 C ATOM 678 CD GLU A 134 64.370 0.328 -10.049 1.00 0.00 C ATOM 679 OE1 GLU A 134 63.593 1.211 -10.375 1.00 0.00 O ATOM 680 OE2 GLU A 134 64.377 -0.789 -10.539 1.00 0.00 O ATOM 681 HA GLU A 134 64.307 1.370 -6.903 1.00 0.00 H ATOM 682 HB2 GLU A 134 64.863 2.672 -9.444 1.00 0.00 H ATOM 683 HB3 GLU A 134 66.359 2.508 -8.496 1.00 0.00 H ATOM 684 HG2 GLU A 134 66.391 0.380 -9.320 1.00 0.00 H ATOM 685 HG3 GLU A 134 65.165 0.059 -8.070 1.00 0.00 H ATOM 686 H GLU A 134 63.189 3.569 -8.498 1.00 0.00 H ATOM 687 N GLU A 135 65.577 4.423 -6.643 1.00 0.00 N ATOM 688 CA GLU A 135 66.371 5.286 -5.772 1.00 0.00 C ATOM 689 C GLU A 135 65.947 5.103 -4.318 1.00 0.00 C ATOM 690 O GLU A 135 66.773 5.125 -3.406 1.00 0.00 O ATOM 691 CB GLU A 135 66.191 6.755 -6.162 1.00 0.00 C ATOM 692 CG GLU A 135 67.356 7.578 -5.607 1.00 0.00 C ATOM 693 CD GLU A 135 68.033 8.336 -6.743 1.00 0.00 C ATOM 694 OE1 GLU A 135 67.372 9.156 -7.358 1.00 0.00 O ATOM 695 OE2 GLU A 135 69.203 8.084 -6.983 1.00 0.00 O ATOM 696 HA GLU A 135 67.419 5.008 -5.886 1.00 0.00 H ATOM 697 HB2 GLU A 135 66.169 6.843 -7.248 1.00 0.00 H ATOM 698 HB3 GLU A 135 65.254 7.128 -5.750 1.00 0.00 H ATOM 699 HG2 GLU A 135 66.981 8.288 -4.870 1.00 0.00 H ATOM 700 HG3 GLU A 135 68.078 6.912 -5.134 1.00 0.00 H ATOM 701 H GLU A 135 65.145 4.819 -7.502 1.00 0.00 H ATOM 702 N LEU A 136 64.645 4.921 -4.117 1.00 0.00 N ATOM 703 CA LEU A 136 64.105 4.735 -2.773 1.00 0.00 C ATOM 704 C LEU A 136 64.380 3.319 -2.275 1.00 0.00 C ATOM 705 O LEU A 136 64.809 3.117 -1.139 1.00 0.00 O ATOM 706 CB LEU A 136 62.595 4.978 -2.773 1.00 0.00 C ATOM 707 CG LEU A 136 62.222 5.898 -1.610 1.00 0.00 C ATOM 708 CD1 LEU A 136 60.969 6.696 -1.975 1.00 0.00 C ATOM 709 CD2 LEU A 136 61.945 5.056 -0.364 1.00 0.00 C ATOM 710 HA LEU A 136 64.593 5.450 -2.111 1.00 0.00 H ATOM 711 HB2 LEU A 136 62.303 5.445 -3.713 1.00 0.00 H ATOM 712 HB3 LEU A 136 62.074 4.027 -2.664 1.00 0.00 H ATOM 713 HG LEU A 136 63.045 6.584 -1.409 1.00 0.00 H ATOM 714 HD21 LEU A 136 61.121 4.371 -0.566 1.00 0.00 H ATOM 715 HD22 LEU A 136 62.838 4.486 -0.106 1.00 0.00 H ATOM 716 HD23 LEU A 136 61.679 5.712 0.465 1.00 0.00 H ATOM 717 HD11 LEU A 136 61.167 7.294 -2.864 1.00 0.00 H ATOM 718 HD12 LEU A 136 60.147 6.008 -2.174 1.00 0.00 H ATOM 719 HD13 LEU A 136 60.703 7.352 -1.146 1.00 0.00 H ATOM 720 H LEU A 136 63.999 4.911 -4.932 1.00 0.00 H ATOM 721 N MET A 137 64.121 2.341 -3.137 1.00 0.00 N ATOM 722 CA MET A 137 64.336 0.942 -2.776 1.00 0.00 C ATOM 723 C MET A 137 65.820 0.662 -2.553 1.00 0.00 C ATOM 724 O MET A 137 66.203 -0.001 -1.589 1.00 0.00 O ATOM 725 CB MET A 137 63.818 0.019 -3.881 1.00 0.00 C ATOM 726 CG MET A 137 63.575 -1.378 -3.307 1.00 0.00 C ATOM 727 SD MET A 137 61.984 -1.409 -2.446 1.00 0.00 S ATOM 728 CE MET A 137 61.404 -2.992 -3.104 1.00 0.00 C ATOM 729 HA MET A 137 63.790 0.750 -1.852 1.00 0.00 H ATOM 730 HB2 MET A 137 62.884 0.416 -4.278 1.00 0.00 H ATOM 731 HB3 MET A 137 64.556 -0.040 -4.681 1.00 0.00 H ATOM 732 HG2 MET A 137 64.372 -1.627 -2.607 1.00 0.00 H ATOM 733 HG3 MET A 137 63.564 -2.107 -4.117 1.00 0.00 H ATOM 734 HE1 MET A 137 61.344 -2.932 -4.191 1.00 0.00 H ATOM 735 HE2 MET A 137 62.102 -3.780 -2.820 1.00 0.00 H ATOM 736 HE3 MET A 137 60.418 -3.214 -2.696 1.00 0.00 H ATOM 737 H MET A 137 63.760 2.576 -4.084 1.00 0.00 H ATOM 738 N LYS A 138 66.650 1.170 -3.459 1.00 0.00 N ATOM 739 CA LYS A 138 68.093 0.965 -3.358 1.00 0.00 C ATOM 740 C LYS A 138 68.588 1.275 -1.948 1.00 0.00 C ATOM 741 O LYS A 138 69.223 0.441 -1.302 1.00 0.00 O ATOM 742 CB LYS A 138 68.831 1.859 -4.356 1.00 0.00 C ATOM 743 CG LYS A 138 69.288 1.020 -5.550 1.00 0.00 C ATOM 744 CD LYS A 138 70.796 1.185 -5.744 1.00 0.00 C ATOM 745 CE LYS A 138 71.526 0.013 -5.085 1.00 0.00 C ATOM 746 NZ LYS A 138 71.800 -1.038 -6.105 1.00 0.00 N ATOM 747 HA LYS A 138 68.297 -0.081 -3.586 1.00 0.00 H ATOM 748 HB2 LYS A 138 68.163 2.648 -4.700 1.00 0.00 H ATOM 749 HB3 LYS A 138 69.699 2.305 -3.871 1.00 0.00 H ATOM 750 HG2 LYS A 138 69.058 -0.029 -5.366 1.00 0.00 H ATOM 751 HG3 LYS A 138 68.768 1.353 -6.448 1.00 0.00 H ATOM 752 HD2 LYS A 138 71.026 1.204 -6.809 1.00 0.00 H ATOM 753 HD3 LYS A 138 71.121 2.119 -5.287 1.00 0.00 H ATOM 754 HE2 LYS A 138 70.905 -0.403 -4.292 1.00 0.00 H ATOM 755 HE3 LYS A 138 72.467 0.363 -4.661 1.00 0.00 H ATOM 756 HZ1 LYS A 138 70.901 -1.371 -6.508 1.00 0.00 H ATOM 757 HZ2 LYS A 138 72.393 -0.640 -6.861 1.00 0.00 H ATOM 758 HZ3 LYS A 138 72.296 -1.834 -5.656 1.00 0.00 H ATOM 759 H LYS A 138 66.266 1.722 -4.252 1.00 0.00 H ATOM 760 N ASP A 139 68.296 2.485 -1.480 1.00 0.00 N ATOM 761 CA ASP A 139 68.723 2.897 -0.143 1.00 0.00 C ATOM 762 C ASP A 139 67.932 2.156 0.931 1.00 0.00 C ATOM 763 O ASP A 139 68.234 2.254 2.121 1.00 0.00 O ATOM 764 CB ASP A 139 68.525 4.402 0.044 1.00 0.00 C ATOM 765 CG ASP A 139 69.031 4.815 1.422 1.00 0.00 C ATOM 766 OD1 ASP A 139 70.006 4.237 1.871 1.00 0.00 O ATOM 767 OD2 ASP A 139 68.435 5.704 2.008 1.00 0.00 O ATOM 768 HA ASP A 139 69.781 2.653 -0.044 1.00 0.00 H ATOM 769 HB2 ASP A 139 69.081 4.940 -0.724 1.00 0.00 H ATOM 770 HB3 ASP A 139 67.465 4.643 -0.041 1.00 0.00 H ATOM 771 H ASP A 139 67.757 3.148 -2.073 1.00 0.00 H ATOM 772 N GLY A 140 66.914 1.413 0.503 1.00 0.00 N ATOM 773 CA GLY A 140 66.087 0.661 1.444 1.00 0.00 C ATOM 774 C GLY A 140 66.201 -0.837 1.187 1.00 0.00 C ATOM 775 O GLY A 140 65.347 -1.620 1.604 1.00 0.00 O ATOM 776 HA3 GLY A 140 65.047 0.966 1.329 1.00 0.00 H ATOM 777 HA2 GLY A 140 66.417 0.876 2.461 1.00 0.00 H ATOM 778 H GLY A 140 66.704 1.367 -0.515 1.00 0.00 H ATOM 779 N ASP A 141 67.267 -1.228 0.495 1.00 0.00 N ATOM 780 CA ASP A 141 67.488 -2.637 0.185 1.00 0.00 C ATOM 781 C ASP A 141 68.888 -3.066 0.613 1.00 0.00 C ATOM 782 O ASP A 141 69.649 -3.623 -0.178 1.00 0.00 O ATOM 783 CB ASP A 141 67.329 -2.887 -1.316 1.00 0.00 C ATOM 784 CG ASP A 141 66.606 -4.211 -1.538 1.00 0.00 C ATOM 785 OD1 ASP A 141 66.456 -4.949 -0.578 1.00 0.00 O ATOM 786 OD2 ASP A 141 66.214 -4.468 -2.664 1.00 0.00 O ATOM 787 HA ASP A 141 66.747 -3.220 0.731 1.00 0.00 H ATOM 788 HB2 ASP A 141 66.750 -2.078 -1.760 1.00 0.00 H ATOM 789 HB3 ASP A 141 68.313 -2.927 -1.784 1.00 0.00 H ATOM 790 H ASP A 141 67.954 -0.519 0.169 1.00 0.00 H ATOM 791 N LYS A 142 69.218 -2.804 1.875 1.00 0.00 N ATOM 792 CA LYS A 142 70.532 -3.174 2.395 1.00 0.00 C ATOM 793 C LYS A 142 70.831 -4.632 2.067 1.00 0.00 C ATOM 794 O LYS A 142 71.972 -5.001 1.789 1.00 0.00 O ATOM 795 CB LYS A 142 70.587 -2.978 3.913 1.00 0.00 C ATOM 796 CG LYS A 142 71.860 -3.624 4.468 1.00 0.00 C ATOM 797 CD LYS A 142 71.486 -4.828 5.335 1.00 0.00 C ATOM 798 CE LYS A 142 72.756 -5.464 5.906 1.00 0.00 C ATOM 799 NZ LYS A 142 73.577 -6.020 4.794 1.00 0.00 N ATOM 800 HA LYS A 142 71.277 -2.531 1.926 1.00 0.00 H ATOM 801 HB2 LYS A 142 70.591 -1.912 4.142 1.00 0.00 H ATOM 802 HB3 LYS A 142 69.714 -3.443 4.371 1.00 0.00 H ATOM 803 HG2 LYS A 142 72.491 -3.953 3.642 1.00 0.00 H ATOM 804 HG3 LYS A 142 72.403 -2.897 5.071 1.00 0.00 H ATOM 805 HD2 LYS A 142 70.844 -4.501 6.153 1.00 0.00 H ATOM 806 HD3 LYS A 142 70.954 -5.561 4.728 1.00 0.00 H ATOM 807 HE2 LYS A 142 72.484 -6.265 6.593 1.00 0.00 H ATOM 808 HE3 LYS A 142 73.332 -4.709 6.441 1.00 0.00 H ATOM 809 HZ1 LYS A 142 73.027 -6.741 4.285 1.00 0.00 H ATOM 810 HZ2 LYS A 142 73.836 -5.254 4.140 1.00 0.00 H ATOM 811 HZ3 LYS A 142 74.439 -6.452 5.184 1.00 0.00 H ATOM 812 H LYS A 142 68.533 -2.331 2.498 1.00 0.00 H ATOM 813 N ASN A 143 69.788 -5.457 2.098 1.00 0.00 N ATOM 814 CA ASN A 143 69.941 -6.877 1.798 1.00 0.00 C ATOM 815 C ASN A 143 70.131 -7.083 0.299 1.00 0.00 C ATOM 816 O ASN A 143 70.634 -8.117 -0.142 1.00 0.00 O ATOM 817 CB ASN A 143 68.706 -7.657 2.254 1.00 0.00 C ATOM 818 CG ASN A 143 68.800 -7.929 3.752 1.00 0.00 C ATOM 819 OD1 ASN A 143 69.850 -8.333 4.252 1.00 0.00 O ATOM 820 ND2 ASN A 143 67.753 -7.729 4.505 1.00 0.00 N ATOM 821 HA ASN A 143 70.818 -7.243 2.332 1.00 0.00 H ATOM 822 HB2 ASN A 143 67.810 -7.073 2.046 1.00 0.00 H ATOM 823 HB3 ASN A 143 68.654 -8.603 1.715 1.00 0.00 H ATOM 824 HD22 ASN A 143 66.866 -7.388 4.082 1.00 0.00 H ATOM 825 HD21 ASN A 143 67.806 -7.911 5.528 1.00 0.00 H ATOM 826 H ASN A 143 68.848 -5.084 2.340 1.00 0.00 H ATOM 827 N ASN A 144 69.723 -6.084 -0.478 1.00 0.00 N ATOM 828 CA ASN A 144 69.851 -6.160 -1.930 1.00 0.00 C ATOM 829 C ASN A 144 69.165 -7.415 -2.460 1.00 0.00 C ATOM 830 O ASN A 144 69.763 -8.208 -3.186 1.00 0.00 O ATOM 831 CB ASN A 144 71.325 -6.187 -2.339 1.00 0.00 C ATOM 832 CG ASN A 144 71.436 -6.061 -3.855 1.00 0.00 C ATOM 833 OD1 ASN A 144 70.564 -6.525 -4.589 1.00 0.00 O ATOM 834 ND2 ASN A 144 72.468 -5.452 -4.372 1.00 0.00 N ATOM 835 HA ASN A 144 69.374 -5.277 -2.356 1.00 0.00 H ATOM 836 HB2 ASN A 144 71.849 -5.356 -1.866 1.00 0.00 H ATOM 837 HB3 ASN A 144 71.774 -7.127 -2.019 1.00 0.00 H ATOM 838 HD22 ASN A 144 73.205 -5.060 -3.752 1.00 0.00 H ATOM 839 HD21 ASN A 144 72.553 -5.359 -5.404 1.00 0.00 H ATOM 840 H ASN A 144 69.306 -5.235 -0.044 1.00 0.00 H ATOM 841 N ASP A 145 67.899 -7.584 -2.087 1.00 0.00 N ATOM 842 CA ASP A 145 67.133 -8.746 -2.529 1.00 0.00 C ATOM 843 C ASP A 145 65.947 -8.312 -3.386 1.00 0.00 C ATOM 844 O ASP A 145 65.267 -9.139 -3.994 1.00 0.00 O ATOM 845 CB ASP A 145 66.612 -9.532 -1.324 1.00 0.00 C ATOM 846 CG ASP A 145 66.027 -8.566 -0.300 1.00 0.00 C ATOM 847 OD1 ASP A 145 65.735 -7.442 -0.674 1.00 0.00 O ATOM 848 OD2 ASP A 145 65.881 -8.963 0.845 1.00 0.00 O ATOM 849 HA ASP A 145 67.795 -9.379 -3.120 1.00 0.00 H ATOM 850 HB2 ASP A 145 65.839 -10.228 -1.650 1.00 0.00 H ATOM 851 HB3 ASP A 145 67.432 -10.089 -0.871 1.00 0.00 H ATOM 852 H ASP A 145 67.448 -6.878 -1.471 1.00 0.00 H ATOM 853 N GLY A 146 65.703 -7.004 -3.427 1.00 0.00 N ATOM 854 CA GLY A 146 64.593 -6.471 -4.211 1.00 0.00 C ATOM 855 C GLY A 146 63.357 -6.293 -3.337 1.00 0.00 C ATOM 856 O GLY A 146 62.233 -6.208 -3.832 1.00 0.00 O ATOM 857 HA3 GLY A 146 64.362 -7.162 -5.022 1.00 0.00 H ATOM 858 HA2 GLY A 146 64.879 -5.506 -4.628 1.00 0.00 H ATOM 859 H GLY A 146 66.312 -6.352 -2.893 1.00 0.00 H ATOM 860 N ARG A 147 63.580 -6.240 -2.026 1.00 0.00 N ATOM 861 CA ARG A 147 62.479 -6.075 -1.082 1.00 0.00 C ATOM 862 C ARG A 147 62.990 -5.518 0.244 1.00 0.00 C ATOM 863 O ARG A 147 64.181 -5.254 0.407 1.00 0.00 O ATOM 864 CB ARG A 147 61.794 -7.417 -0.822 1.00 0.00 C ATOM 865 CG ARG A 147 62.853 -8.476 -0.509 1.00 0.00 C ATOM 866 CD ARG A 147 62.173 -9.748 0.000 1.00 0.00 C ATOM 867 NE ARG A 147 62.527 -10.892 -0.837 1.00 0.00 N ATOM 868 CZ ARG A 147 62.279 -12.136 -0.438 1.00 0.00 C ATOM 869 NH1 ARG A 147 61.692 -12.351 0.707 1.00 0.00 N ATOM 870 NH2 ARG A 147 62.619 -13.144 -1.195 1.00 0.00 N ATOM 871 HA ARG A 147 61.764 -5.377 -1.519 1.00 0.00 H ATOM 872 HB2 ARG A 147 61.114 -7.321 0.025 1.00 0.00 H ATOM 873 HB3 ARG A 147 61.231 -7.716 -1.706 1.00 0.00 H ATOM 874 HG2 ARG A 147 63.417 -8.703 -1.413 1.00 0.00 H ATOM 875 HG3 ARG A 147 63.531 -8.096 0.255 1.00 0.00 H ATOM 876 HD2 ARG A 147 61.092 -9.609 -0.021 1.00 0.00 H ATOM 877 HD3 ARG A 147 62.493 -9.940 1.024 1.00 0.00 H ATOM 878 HE ARG A 147 62.980 -10.731 -1.759 1.00 0.00 H ATOM 879 HH12 ARG A 147 61.499 -13.325 1.018 1.00 0.00 H ATOM 880 HH11 ARG A 147 61.417 -11.549 1.309 1.00 0.00 H ATOM 881 HH22 ARG A 147 62.425 -14.117 -0.883 1.00 0.00 H ATOM 882 HH21 ARG A 147 63.084 -12.974 -2.110 1.00 0.00 H ATOM 883 H ARG A 147 64.554 -6.317 -1.669 1.00 0.00 H ATOM 884 N ILE A 148 62.071 -5.346 1.190 1.00 0.00 N ATOM 885 CA ILE A 148 62.433 -4.823 2.505 1.00 0.00 C ATOM 886 C ILE A 148 62.123 -5.856 3.585 1.00 0.00 C ATOM 887 O ILE A 148 61.253 -6.711 3.414 1.00 0.00 O ATOM 888 CB ILE A 148 61.657 -3.539 2.814 1.00 0.00 C ATOM 889 CG1 ILE A 148 61.281 -2.827 1.507 1.00 0.00 C ATOM 890 CG2 ILE A 148 62.523 -2.614 3.670 1.00 0.00 C ATOM 891 CD1 ILE A 148 62.517 -2.156 0.900 1.00 0.00 C ATOM 892 HA ILE A 148 63.501 -4.604 2.495 1.00 0.00 H ATOM 893 HB ILE A 148 60.746 -3.792 3.357 1.00 0.00 H ATOM 894 HG12 ILE A 148 60.882 -3.555 0.801 1.00 0.00 H ATOM 895 HG13 ILE A 148 60.524 -2.070 1.713 1.00 0.00 H ATOM 896 HD11 ILE A 148 62.915 -1.426 1.605 1.00 0.00 H ATOM 897 HD12 ILE A 148 63.274 -2.912 0.692 1.00 0.00 H ATOM 898 HD13 ILE A 148 62.238 -1.654 -0.027 1.00 0.00 H ATOM 899 HG21 ILE A 148 62.779 -3.118 4.602 1.00 0.00 H ATOM 900 HG22 ILE A 148 63.435 -2.366 3.127 1.00 0.00 H ATOM 901 HG23 ILE A 148 61.970 -1.701 3.889 1.00 0.00 H ATOM 902 H ILE A 148 61.079 -5.588 0.990 1.00 0.00 H ATOM 903 N ASP A 149 62.843 -5.768 4.700 1.00 0.00 N ATOM 904 CA ASP A 149 62.635 -6.701 5.805 1.00 0.00 C ATOM 905 C ASP A 149 62.208 -5.951 7.063 1.00 0.00 C ATOM 906 O ASP A 149 62.124 -4.723 7.074 1.00 0.00 O ATOM 907 CB ASP A 149 63.918 -7.480 6.098 1.00 0.00 C ATOM 908 CG ASP A 149 65.082 -6.507 6.245 1.00 0.00 C ATOM 909 OD1 ASP A 149 65.670 -6.162 5.233 1.00 0.00 O ATOM 910 OD2 ASP A 149 65.366 -6.119 7.366 1.00 0.00 O ATOM 911 HA ASP A 149 61.848 -7.397 5.514 1.00 0.00 H ATOM 912 HB2 ASP A 149 63.797 -8.045 7.023 1.00 0.00 H ATOM 913 HB3 ASP A 149 64.121 -8.168 5.277 1.00 0.00 H ATOM 914 H ASP A 149 63.565 -5.024 4.787 1.00 0.00 H ATOM 915 N TYR A 150 61.938 -6.707 8.124 1.00 0.00 N ATOM 916 CA TYR A 150 61.516 -6.108 9.387 1.00 0.00 C ATOM 917 C TYR A 150 62.659 -5.316 10.016 1.00 0.00 C ATOM 918 O TYR A 150 62.453 -4.530 10.941 1.00 0.00 O ATOM 919 CB TYR A 150 61.061 -7.192 10.366 1.00 0.00 C ATOM 920 CG TYR A 150 60.250 -6.561 11.473 1.00 0.00 C ATOM 921 CD1 TYR A 150 59.178 -5.716 11.160 1.00 0.00 C ATOM 922 CD2 TYR A 150 60.571 -6.819 12.811 1.00 0.00 C ATOM 923 CE1 TYR A 150 58.427 -5.130 12.186 1.00 0.00 C ATOM 924 CE2 TYR A 150 59.820 -6.233 13.836 1.00 0.00 C ATOM 925 CZ TYR A 150 58.748 -5.388 13.524 1.00 0.00 C ATOM 926 OH TYR A 150 58.008 -4.809 14.535 1.00 0.00 O ATOM 927 HA TYR A 150 60.685 -5.435 9.177 1.00 0.00 H ATOM 928 HB3 TYR A 150 61.934 -7.688 10.791 1.00 0.00 H ATOM 929 HB2 TYR A 150 60.450 -7.925 9.839 1.00 0.00 H ATOM 930 HD2 TYR A 150 61.406 -7.476 13.054 1.00 0.00 H ATOM 931 HE2 TYR A 150 60.070 -6.434 14.878 1.00 0.00 H ATOM 932 HE1 TYR A 150 57.592 -4.473 11.943 1.00 0.00 H ATOM 933 HD1 TYR A 150 58.928 -5.515 10.118 1.00 0.00 H ATOM 934 HH TYR A 150 57.295 -4.247 14.140 1.00 0.00 H ATOM 935 H TYR A 150 62.029 -7.741 8.053 1.00 0.00 H ATOM 936 N ASP A 151 63.868 -5.530 9.502 1.00 0.00 N ATOM 937 CA ASP A 151 65.039 -4.827 10.021 1.00 0.00 C ATOM 938 C ASP A 151 65.290 -3.550 9.226 1.00 0.00 C ATOM 939 O ASP A 151 65.242 -2.445 9.766 1.00 0.00 O ATOM 940 CB ASP A 151 66.281 -5.717 9.937 1.00 0.00 C ATOM 941 CG ASP A 151 66.668 -6.184 11.335 1.00 0.00 C ATOM 942 OD1 ASP A 151 66.934 -5.335 12.169 1.00 0.00 O ATOM 943 OD2 ASP A 151 66.693 -7.384 11.551 1.00 0.00 O ATOM 944 HA ASP A 151 64.843 -4.575 11.063 1.00 0.00 H ATOM 945 HB2 ASP A 151 66.066 -6.583 9.311 1.00 0.00 H ATOM 946 HB3 ASP A 151 67.105 -5.151 9.502 1.00 0.00 H ATOM 947 H ASP A 151 63.981 -6.207 8.720 1.00 0.00 H ATOM 948 N GLU A 152 65.558 -3.716 7.934 1.00 0.00 N ATOM 949 CA GLU A 152 65.814 -2.573 7.066 1.00 0.00 C ATOM 950 C GLU A 152 64.611 -1.639 7.051 1.00 0.00 C ATOM 951 O GLU A 152 64.752 -0.418 7.120 1.00 0.00 O ATOM 952 CB GLU A 152 66.096 -3.045 5.640 1.00 0.00 C ATOM 953 CG GLU A 152 67.247 -4.051 5.653 1.00 0.00 C ATOM 954 CD GLU A 152 67.517 -4.532 4.232 1.00 0.00 C ATOM 955 OE1 GLU A 152 66.888 -4.015 3.324 1.00 0.00 O ATOM 956 OE2 GLU A 152 68.348 -5.411 4.073 1.00 0.00 O ATOM 957 HA GLU A 152 66.682 -2.040 7.452 1.00 0.00 H ATOM 958 HB2 GLU A 152 65.204 -3.519 5.231 1.00 0.00 H ATOM 959 HB3 GLU A 152 66.368 -2.190 5.021 1.00 0.00 H ATOM 960 HG2 GLU A 152 68.142 -3.574 6.052 1.00 0.00 H ATOM 961 HG3 GLU A 152 66.980 -4.901 6.280 1.00 0.00 H ATOM 962 H GLU A 152 65.585 -4.677 7.536 1.00 0.00 H ATOM 963 N PHE A 153 63.423 -2.229 6.961 1.00 0.00 N ATOM 964 CA PHE A 153 62.194 -1.444 6.940 1.00 0.00 C ATOM 965 C PHE A 153 62.103 -0.572 8.188 1.00 0.00 C ATOM 966 O PHE A 153 61.879 0.635 8.105 1.00 0.00 O ATOM 967 CB PHE A 153 60.972 -2.363 6.886 1.00 0.00 C ATOM 968 CG PHE A 153 59.716 -1.528 6.820 1.00 0.00 C ATOM 969 CD1 PHE A 153 59.097 -1.100 8.001 1.00 0.00 C ATOM 970 CD2 PHE A 153 59.172 -1.179 5.579 1.00 0.00 C ATOM 971 CE1 PHE A 153 57.933 -0.326 7.940 1.00 0.00 C ATOM 972 CE2 PHE A 153 58.007 -0.405 5.517 1.00 0.00 C ATOM 973 CZ PHE A 153 57.388 0.022 6.698 1.00 0.00 C ATOM 974 HA PHE A 153 62.212 -0.812 6.052 1.00 0.00 H ATOM 975 HB2 PHE A 153 61.033 -2.998 6.002 1.00 0.00 H ATOM 976 HB3 PHE A 153 60.947 -2.987 7.779 1.00 0.00 H ATOM 977 HD2 PHE A 153 59.656 -1.510 4.660 1.00 0.00 H ATOM 978 HE2 PHE A 153 57.582 -0.135 4.550 1.00 0.00 H ATOM 979 HZ PHE A 153 56.482 0.626 6.651 1.00 0.00 H ATOM 980 HE1 PHE A 153 57.450 0.006 8.859 1.00 0.00 H ATOM 981 HD1 PHE A 153 59.522 -1.370 8.968 1.00 0.00 H ATOM 982 H PHE A 153 63.369 -3.266 6.905 1.00 0.00 H ATOM 983 N LEU A 154 62.278 -1.200 9.347 1.00 0.00 N ATOM 984 CA LEU A 154 62.213 -0.475 10.613 1.00 0.00 C ATOM 985 C LEU A 154 63.184 0.701 10.606 1.00 0.00 C ATOM 986 O LEU A 154 62.993 1.687 11.318 1.00 0.00 O ATOM 987 CB LEU A 154 62.558 -1.401 11.781 1.00 0.00 C ATOM 988 CG LEU A 154 61.275 -2.024 12.336 1.00 0.00 C ATOM 989 CD1 LEU A 154 61.633 -3.160 13.296 1.00 0.00 C ATOM 990 CD2 LEU A 154 60.476 -0.957 13.088 1.00 0.00 C ATOM 991 HA LEU A 154 61.195 -0.104 10.734 1.00 0.00 H ATOM 992 HB2 LEU A 154 63.225 -2.190 11.434 1.00 0.00 H ATOM 993 HB3 LEU A 154 63.053 -0.828 12.565 1.00 0.00 H ATOM 994 HG LEU A 154 60.677 -2.417 11.514 1.00 0.00 H ATOM 995 HD21 LEU A 154 61.077 -0.567 13.909 1.00 0.00 H ATOM 996 HD22 LEU A 154 60.222 -0.146 12.405 1.00 0.00 H ATOM 997 HD23 LEU A 154 59.562 -1.401 13.483 1.00 0.00 H ATOM 998 HD11 LEU A 154 62.204 -3.919 12.762 1.00 0.00 H ATOM 999 HD12 LEU A 154 62.231 -2.765 14.118 1.00 0.00 H ATOM 1000 HD13 LEU A 154 60.718 -3.603 13.690 1.00 0.00 H ATOM 1001 H LEU A 154 62.464 -2.223 9.352 1.00 0.00 H ATOM 1002 N GLU A 155 64.230 0.587 9.792 1.00 0.00 N ATOM 1003 CA GLU A 155 65.227 1.649 9.698 1.00 0.00 C ATOM 1004 C GLU A 155 64.724 2.770 8.794 1.00 0.00 C ATOM 1005 O GLU A 155 64.578 3.914 9.223 1.00 0.00 O ATOM 1006 CB GLU A 155 66.540 1.107 9.133 1.00 0.00 C ATOM 1007 CG GLU A 155 67.705 1.948 9.658 1.00 0.00 C ATOM 1008 CD GLU A 155 68.769 2.075 8.573 1.00 0.00 C ATOM 1009 OE1 GLU A 155 68.659 2.984 7.767 1.00 0.00 O ATOM 1010 OE2 GLU A 155 69.679 1.262 8.565 1.00 0.00 O ATOM 1011 HA GLU A 155 65.399 2.037 10.702 1.00 0.00 H ATOM 1012 HB2 GLU A 155 66.670 0.071 9.445 1.00 0.00 H ATOM 1013 HB3 GLU A 155 66.516 1.158 8.044 1.00 0.00 H ATOM 1014 HG2 GLU A 155 67.344 2.939 9.931 1.00 0.00 H ATOM 1015 HG3 GLU A 155 68.136 1.465 10.535 1.00 0.00 H ATOM 1016 H GLU A 155 64.339 -0.271 9.214 1.00 0.00 H ATOM 1017 N PHE A 156 64.459 2.427 7.536 1.00 0.00 N ATOM 1018 CA PHE A 156 63.969 3.413 6.578 1.00 0.00 C ATOM 1019 C PHE A 156 62.609 3.943 7.019 1.00 0.00 C ATOM 1020 O PHE A 156 62.221 5.061 6.681 1.00 0.00 O ATOM 1021 CB PHE A 156 63.836 2.795 5.185 1.00 0.00 C ATOM 1022 CG PHE A 156 63.854 3.891 4.147 1.00 0.00 C ATOM 1023 CD1 PHE A 156 62.716 4.679 3.942 1.00 0.00 C ATOM 1024 CD2 PHE A 156 65.010 4.120 3.391 1.00 0.00 C ATOM 1025 CE1 PHE A 156 62.733 5.697 2.981 1.00 0.00 C ATOM 1026 CE2 PHE A 156 65.027 5.139 2.430 1.00 0.00 C ATOM 1027 CZ PHE A 156 63.888 5.927 2.225 1.00 0.00 C ATOM 1028 HA PHE A 156 64.688 4.231 6.539 1.00 0.00 H ATOM 1029 HB2 PHE A 156 64.668 2.113 5.009 1.00 0.00 H ATOM 1030 HB3 PHE A 156 62.897 2.246 5.118 1.00 0.00 H ATOM 1031 HD2 PHE A 156 65.896 3.506 3.550 1.00 0.00 H ATOM 1032 HE2 PHE A 156 65.927 5.318 1.842 1.00 0.00 H ATOM 1033 HZ PHE A 156 63.901 6.719 1.477 1.00 0.00 H ATOM 1034 HE1 PHE A 156 61.846 6.311 2.822 1.00 0.00 H ATOM 1035 HD1 PHE A 156 61.816 4.500 4.531 1.00 0.00 H ATOM 1036 H PHE A 156 64.603 1.443 7.231 1.00 0.00 H ATOM 1037 N MET A 157 61.892 3.123 7.782 1.00 0.00 N ATOM 1038 CA MET A 157 60.574 3.510 8.275 1.00 0.00 C ATOM 1039 C MET A 157 60.681 4.044 9.700 1.00 0.00 C ATOM 1040 O MET A 157 60.030 3.545 10.618 1.00 0.00 O ATOM 1041 CB MET A 157 59.625 2.309 8.259 1.00 0.00 C ATOM 1042 CG MET A 157 58.265 2.736 7.704 1.00 0.00 C ATOM 1043 SD MET A 157 58.329 2.745 5.895 1.00 0.00 S ATOM 1044 CE MET A 157 56.721 3.526 5.614 1.00 0.00 C ATOM 1045 HA MET A 157 60.180 4.289 7.622 1.00 0.00 H ATOM 1046 HB2 MET A 157 60.044 1.524 7.629 1.00 0.00 H ATOM 1047 HB3 MET A 157 59.500 1.931 9.274 1.00 0.00 H ATOM 1048 HG2 MET A 157 58.022 3.736 8.064 1.00 0.00 H ATOM 1049 HG3 MET A 157 57.500 2.035 8.038 1.00 0.00 H ATOM 1050 HE1 MET A 157 55.937 2.906 6.048 1.00 0.00 H ATOM 1051 HE2 MET A 157 56.709 4.510 6.083 1.00 0.00 H ATOM 1052 HE3 MET A 157 56.552 3.631 4.542 1.00 0.00 H ATOM 1053 H MET A 157 62.277 2.190 8.032 1.00 0.00 H ATOM 1054 N LYS A 158 61.518 5.062 9.873 1.00 0.00 N ATOM 1055 CA LYS A 158 61.716 5.660 11.191 1.00 0.00 C ATOM 1056 C LYS A 158 60.546 6.572 11.549 1.00 0.00 C ATOM 1057 O LYS A 158 60.729 7.752 11.847 1.00 0.00 O ATOM 1058 CB LYS A 158 63.007 6.478 11.219 1.00 0.00 C ATOM 1059 CG LYS A 158 63.652 6.368 12.602 1.00 0.00 C ATOM 1060 CD LYS A 158 65.044 7.001 12.568 1.00 0.00 C ATOM 1061 CE LYS A 158 65.692 6.886 13.948 1.00 0.00 C ATOM 1062 NZ LYS A 158 66.083 8.242 14.427 1.00 0.00 N ATOM 1063 HA LYS A 158 61.781 4.850 11.918 1.00 0.00 H ATOM 1064 HB2 LYS A 158 63.696 6.096 10.465 1.00 0.00 H ATOM 1065 HB3 LYS A 158 62.780 7.523 11.006 1.00 0.00 H ATOM 1066 HG2 LYS A 158 63.034 6.888 13.334 1.00 0.00 H ATOM 1067 HG3 LYS A 158 63.737 5.318 12.881 1.00 0.00 H ATOM 1068 HD2 LYS A 158 65.661 6.484 11.833 1.00 0.00 H ATOM 1069 HD3 LYS A 158 64.958 8.052 12.293 1.00 0.00 H ATOM 1070 HE2 LYS A 158 66.578 6.254 13.883 1.00 0.00 H ATOM 1071 HE3 LYS A 158 64.982 6.444 14.647 1.00 0.00 H ATOM 1072 HZ1 LYS A 158 66.760 8.662 13.759 1.00 0.00 H ATOM 1073 HZ2 LYS A 158 65.237 8.844 14.489 1.00 0.00 H ATOM 1074 HZ3 LYS A 158 66.524 8.163 15.366 1.00 0.00 H ATOM 1075 H LYS A 158 62.041 5.439 9.057 1.00 0.00 H ATOM 1076 N GLY A 159 59.343 6.009 11.517 1.00 0.00 N ATOM 1077 CA GLY A 159 58.145 6.777 11.842 1.00 0.00 C ATOM 1078 C GLY A 159 57.740 7.665 10.672 1.00 0.00 C ATOM 1079 O GLY A 159 57.735 8.892 10.776 1.00 0.00 O ATOM 1080 HA3 GLY A 159 58.345 7.401 12.713 1.00 0.00 H ATOM 1081 HA2 GLY A 159 57.330 6.090 12.069 1.00 0.00 H ATOM 1082 H GLY A 159 59.254 5.006 11.257 1.00 0.00 H ATOM 1083 N VAL A 160 57.398 7.030 9.555 1.00 0.00 N ATOM 1084 CA VAL A 160 56.989 7.770 8.365 1.00 0.00 C ATOM 1085 C VAL A 160 55.468 7.805 8.262 1.00 0.00 C ATOM 1086 O VAL A 160 54.775 6.949 8.810 1.00 0.00 O ATOM 1087 CB VAL A 160 57.558 7.120 7.103 1.00 0.00 C ATOM 1088 CG1 VAL A 160 57.239 7.999 5.892 1.00 0.00 C ATOM 1089 CG2 VAL A 160 59.074 6.979 7.243 1.00 0.00 C ATOM 1090 HA VAL A 160 57.375 8.786 8.452 1.00 0.00 H ATOM 1091 HB VAL A 160 57.112 6.135 6.967 1.00 0.00 H ATOM 1092 HG11 VAL A 160 56.158 8.102 5.794 1.00 0.00 H ATOM 1093 HG12 VAL A 160 57.688 8.983 6.030 1.00 0.00 H ATOM 1094 HG13 VAL A 160 57.644 7.536 4.992 1.00 0.00 H ATOM 1095 HG21 VAL A 160 59.518 7.965 7.377 1.00 0.00 H ATOM 1096 HG22 VAL A 160 59.301 6.356 8.108 1.00 0.00 H ATOM 1097 HG23 VAL A 160 59.479 6.516 6.343 1.00 0.00 H ATOM 1098 H VAL A 160 57.422 5.991 9.529 1.00 0.00 H ATOM 1099 N GLU A 161 54.958 8.806 7.552 1.00 0.00 N ATOM 1100 CA GLU A 161 53.514 8.946 7.382 1.00 0.00 C ATOM 1101 C GLU A 161 52.845 9.214 8.726 1.00 0.00 C ATOM 1102 O GLU A 161 53.557 9.317 9.711 1.00 0.00 O ATOM 1103 CB GLU A 161 52.921 7.672 6.777 1.00 0.00 C ATOM 1104 CG GLU A 161 53.764 7.237 5.577 1.00 0.00 C ATOM 1105 CD GLU A 161 52.850 6.701 4.479 1.00 0.00 C ATOM 1106 OE1 GLU A 161 52.347 7.504 3.710 1.00 0.00 O ATOM 1107 OE2 GLU A 161 52.666 5.496 4.424 1.00 0.00 O ATOM 1108 HA GLU A 161 53.333 9.785 6.711 1.00 0.00 H ATOM 1109 OXT GLU A 161 51.629 9.310 8.751 1.00 0.00 O ATOM 1110 HB2 GLU A 161 52.919 6.880 7.526 1.00 0.00 H ATOM 1111 HB3 GLU A 161 51.899 7.865 6.452 1.00 0.00 H ATOM 1112 HG2 GLU A 161 54.325 8.091 5.198 1.00 0.00 H ATOM 1113 HG3 GLU A 161 54.459 6.456 5.885 1.00 0.00 H ATOM 1114 H GLU A 161 55.596 9.499 7.111 1.00 0.00 H TER 1115 GLU A 161 HETATM 1116 CA CA A 1 54.400 -6.977 0.119 1.00 0.00 CA HETATM 1117 CA CA A 2 66.367 -5.586 2.102 1.00 0.00 CA HETATM 1118 S1 EMD A 3 60.959 0.574 3.266 1.00 -0.02 S HETATM 1119 C2 EMD A 3 62.469 1.123 2.501 1.00 0.27 C HETATM 1120 O2 EMD A 3 63.522 0.522 2.708 1.00 -0.38 O HETATM 1121 N3 EMD A 3 62.425 2.113 1.617 1.00 -0.24 N HETATM 1122 N4 EMD A 3 61.273 2.749 1.208 1.00 0.38 N HETATM 1123 C5 EMD A 3 60.022 2.550 1.451 1.00 0.04 C HETATM 1124 C6 EMD A 3 59.635 1.301 2.271 1.00 0.07 C HETATM 1125 C7 EMD A 3 59.103 0.212 1.339 1.00 -0.04 C HETATM 1126 H6 EMD A 3 58.294 0.624 0.718 1.00 0.02 H HETATM 1127 H7 EMD A 3 58.716 -0.626 1.937 1.00 0.02 H HETATM 1128 H8 EMD A 3 59.917 -0.145 0.691 1.00 0.02 H HETATM 1129 H5 EMD A 3 58.831 1.601 2.958 1.00 0.05 H HETATM 1130 C8 EMD A 3 58.989 3.699 1.174 1.00 -0.01 C HETATM 1131 C9 EMD A 3 58.273 4.261 2.239 1.00 -0.07 C HETATM 1132 C10 EMD A 3 57.347 5.292 2.003 1.00 -0.03 C HETATM 1133 C11 EMD A 3 57.148 5.749 0.677 1.00 0.06 C HETATM 1134 C12 EMD A 3 57.867 5.183 -0.383 1.00 -0.05 C HETATM 1135 C13 EMD A 3 58.789 4.159 -0.134 1.00 -0.07 C HETATM 1136 H11 EMD A 3 59.348 3.722 -0.954 1.00 0.05 H HETATM 1137 H10 EMD A 3 57.710 5.537 -1.395 1.00 0.05 H HETATM 1138 N14 EMD A 3 56.134 6.860 0.433 1.00 -0.23 N HETATM 1139 C15 EMD A 3 55.672 7.696 1.621 1.00 0.05 C HETATM 1140 C16 EMD A 3 56.319 7.399 2.958 1.00 -0.02 C HETATM 1141 C17 EMD A 3 56.569 5.890 3.184 1.00 -0.02 C HETATM 1142 H16 EMD A 3 57.151 5.754 4.107 1.00 0.04 H HETATM 1143 H17 EMD A 3 55.603 5.373 3.280 1.00 0.04 H HETATM 1144 H14 EMD A 3 55.660 7.769 3.757 1.00 0.03 H HETATM 1145 H15 EMD A 3 57.284 7.925 3.006 1.00 0.03 H HETATM 1146 H12 EMD A 3 54.589 7.543 1.734 1.00 0.06 H HETATM 1147 H13 EMD A 3 55.870 8.751 1.383 1.00 0.06 H HETATM 1148 C18 EMD A 3 55.607 7.148 -0.822 1.00 0.22 C HETATM 1149 O18 EMD A 3 55.938 6.509 -1.820 1.00 -0.38 O HETATM 1150 C19 EMD A 3 54.588 8.273 -1.021 1.00 0.04 C HETATM 1151 C20 EMD A 3 54.924 9.393 -1.793 1.00 -0.02 C HETATM 1152 C21 EMD A 3 54.053 10.492 -1.852 1.00 0.13 C HETATM 1153 O21 EMD A 3 54.433 11.586 -2.638 1.00 -0.32 O HETATM 1154 C25 EMD A 3 55.792 11.861 -3.063 1.00 0.06 C HETATM 1155 H21 EMD A 3 55.808 12.779 -3.668 1.00 0.06 H HETATM 1156 H22 EMD A 3 56.166 11.019 -3.664 1.00 0.06 H HETATM 1157 H23 EMD A 3 56.433 11.993 -2.179 1.00 0.06 H HETATM 1158 C22 EMD A 3 52.860 10.472 -1.149 1.00 0.13 C HETATM 1159 O22 EMD A 3 51.961 11.544 -1.176 1.00 -0.32 O HETATM 1160 C26 EMD A 3 51.040 11.867 -0.104 1.00 0.06 C HETATM 1161 H24 EMD A 3 50.450 12.753 -0.382 1.00 0.06 H HETATM 1162 H25 EMD A 3 51.606 12.077 0.815 1.00 0.06 H HETATM 1163 H26 EMD A 3 50.364 11.016 0.068 1.00 0.06 H HETATM 1164 C23 EMD A 3 52.519 9.353 -0.375 1.00 -0.03 C HETATM 1165 C24 EMD A 3 53.382 8.254 -0.311 1.00 -0.06 C HETATM 1166 H20 EMD A 3 53.117 7.390 0.287 1.00 0.06 H HETATM 1167 H19 EMD A 3 51.585 9.340 0.175 1.00 0.05 H HETATM 1168 H18 EMD A 3 55.857 9.411 -2.345 1.00 0.06 H HETATM 1169 H9 EMD A 3 58.434 3.900 3.248 1.00 0.05 H HETATM 1170 H4 EMD A 3 59.833 2.060 0.484 1.00 0.10 H HETATM 1171 H2 EMD A 3 61.325 2.697 0.203 1.00 0.23 H HETATM 1172 H3 EMD A 3 61.417 3.702 1.503 1.00 0.23 H HETATM 1173 H1 EMD A 3 63.290 2.419 1.220 1.00 0.24 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 236 235 1116 CONECT 271 269 275 276 1116 CONECT 310 309 1116 CONECT 400 399 1116 CONECT 955 954 1117 CONECT 1116 236 271 310 400 CONECT 1117 955 CONECT 1118 1119 1124 CONECT 1119 1118 1120 1121 CONECT 1120 1119 CONECT 1121 1119 1122 1173 CONECT 1122 1121 1123 1171 1172 CONECT 1123 1122 1124 1130 1170 CONECT 1124 1118 1123 1125 1129 CONECT 1125 1124 1126 1127 1128 CONECT 1126 1125 CONECT 1127 1125 CONECT 1128 1125 CONECT 1129 1124 CONECT 1130 1123 1131 1135 CONECT 1131 1130 1132 1169 CONECT 1132 1131 1133 1141 CONECT 1133 1132 1134 1138 CONECT 1134 1133 1135 1137 CONECT 1135 1130 1134 1136 CONECT 1136 1135 CONECT 1137 1134 CONECT 1138 1133 1139 1148 CONECT 1139 1138 1140 1146 1147 CONECT 1140 1139 1141 1144 1145 CONECT 1141 1132 1140 1142 1143 CONECT 1142 1141 CONECT 1143 1141 CONECT 1144 1140 CONECT 1145 1140 CONECT 1146 1139 CONECT 1147 1139 CONECT 1148 1138 1149 1150 CONECT 1149 1148 CONECT 1150 1148 1151 1165 CONECT 1151 1150 1152 1168 CONECT 1152 1151 1153 1158 CONECT 1153 1152 1154 CONECT 1154 1153 1155 1156 1157 CONECT 1155 1154 CONECT 1156 1154 CONECT 1157 1154 CONECT 1158 1152 1159 1164 CONECT 1159 1158 1160 CONECT 1160 1159 1161 1162 1163 CONECT 1161 1160 CONECT 1162 1160 CONECT 1163 1160 CONECT 1164 1158 1165 1167 CONECT 1165 1150 1164 1166 CONECT 1166 1165 CONECT 1167 1164 CONECT 1168 1151 CONECT 1169 1131 CONECT 1170 1123 CONECT 1171 1122 CONECT 1172 1122 CONECT 1173 1121 MASTER 0 0 0 0 0 0 0 0 1172 1 67 6 END
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Structure:
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Related entries of code: 1ih0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2kdh
RCSB PDB
PDBbind
72aa, >2KDH_1|Chain... at 97%
2l98
RCSB PDB
PDBbind
72aa, >2L98_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1ih0
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
troponin c, slow skeletal and cardiac muscles
Ligand Name
EMD
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=10uM
Release Year
2001
Protein/NA Sequence
Check fasta file
Primary Reference
J.Biol.Chem. v276 pp. 25456-66, 2001
Ligand Properties
Formula
C
2
2
H
2
6
N
3
O
4
S
Molecular Weight
428.525
Exact Mass
428.164
No. of atoms
56
No. of bonds
59
Polar Surface Area
109.78
LOGP Value
3.34 (
Computed with XLOGP3
)
4.62 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
Canonical SMILES
COc1cc(ccc1OC)C(=O)N1CCCc2c1ccc(c2)[C@H]1[NH2+]NC(=O)S[C@@H]1C
InChI String
InChI=1S/C22H25N3O4S/c1-13-20(23-24-22(27)30-13)15-6-8-17-14(11-15)5-4-10-25(17)21(26)16-7-9-18(28-2)19(12-16)29-3/h6-9,11-13,20,23H,4-5,10H2,1-3H3,(H,24,27)/p+1/t13-,20+/m1/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):
P63316
Entrez Gene ID
NCBI Entrez Gene ID:
7134
ASD
Information of known allosteric effects of PDB entries
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