Browse entries in the PDBbind-CN Database
HEADER 5MYG_COMPLEX COMPND 5MYG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 115 MET GLU MET GLN LEU THR PRO PHE LEU ILE LEU LEU ARG SEQRES 2 A 115 LYS THR LEU GLU GLN LEU GLN GLU LYS ASP THR GLY ASN SEQRES 3 A 115 ILE PHE SER GLU PRO VAL PRO LEU SER GLU VAL PRO ASP SEQRES 4 A 115 TYR LEU ASP HIS ILE LYS LYS PRO MET ASP PHE PHE THR SEQRES 5 A 115 MET LYS GLN ASN LEU GLU ALA TYR ARG TYR LEU ASN PHE SEQRES 6 A 115 ASP ASP PHE GLU GLU ASP PHE ASN LEU ILE VAL SER ASN SEQRES 7 A 115 CYS LEU LYS TYR ASN ALA LYS ASP THR ILE PHE TYR ARG SEQRES 8 A 115 ALA ALA VAL ARG LEU ARG GLU GLN GLY GLY ALA VAL LEU SEQRES 9 A 115 ARG GLN ALA ARG ARG GLN ALA GLU LYS MET GLY HET LS A 8 44 ATOM 1 N MET A 626 3.131 31.637 -35.890 1.00 41.39 N ATOM 2 CA MET A 626 4.563 31.398 -35.755 1.00 48.63 C ATOM 3 C MET A 626 5.153 30.438 -36.803 1.00 58.09 C ATOM 4 O MET A 626 4.535 29.485 -37.270 1.00 52.17 O ATOM 5 CB MET A 626 4.896 30.891 -34.352 1.00 44.72 C ATOM 6 CG MET A 626 6.383 30.868 -34.109 1.00 42.09 C ATOM 7 SD MET A 626 6.836 29.874 -32.703 1.00 95.92 S ATOM 8 CE MET A 626 5.610 28.585 -32.862 1.00 46.93 C ATOM 9 HN3 MET A 626 2.620 30.736 -35.796 1.00 0.00 H ATOM 10 HN2 MET A 626 2.937 32.052 -36.824 1.00 0.00 H ATOM 11 HN1 MET A 626 2.819 32.293 -35.146 1.00 0.00 H ATOM 12 N GLU A 627 6.409 30.714 -37.124 1.00 65.54 N ATOM 13 CA GLU A 627 7.179 30.199 -38.232 1.00 65.29 C ATOM 14 C GLU A 627 7.775 28.778 -38.136 1.00 56.76 C ATOM 15 O GLU A 627 8.107 28.220 -39.174 1.00 53.99 O ATOM 16 CB GLU A 627 8.281 31.207 -38.458 1.00 74.86 C ATOM 17 CG GLU A 627 7.773 32.635 -38.300 1.00 78.87 C ATOM 18 CD GLU A 627 8.853 33.516 -37.756 1.00 81.75 C ATOM 19 OE1 GLU A 627 9.940 33.546 -38.392 1.00 82.10 O ATOM 20 OE2 GLU A 627 8.634 34.132 -36.688 1.00 85.44 O ATOM 21 H GLU A 627 6.901 31.385 -36.500 1.00 0.00 H ATOM 22 N MET A 628 7.964 28.217 -36.941 1.00 59.00 N ATOM 23 CA MET A 628 8.707 26.946 -36.782 1.00 62.27 C ATOM 24 C MET A 628 8.229 25.875 -37.766 1.00 64.49 C ATOM 25 O MET A 628 7.064 25.867 -38.151 1.00 63.19 O ATOM 26 CB MET A 628 8.567 26.424 -35.357 1.00 61.03 C ATOM 27 CG MET A 628 7.114 26.242 -34.903 1.00 59.74 C ATOM 28 SD MET A 628 6.983 25.366 -33.328 1.00 63.43 S ATOM 29 CE MET A 628 7.677 23.818 -33.829 1.00 26.23 C ATOM 30 H MET A 628 7.578 28.686 -36.096 1.00 0.00 H ATOM 31 N GLN A 629 9.125 24.980 -38.181 1.00 58.77 N ATOM 32 CA GLN A 629 8.748 23.932 -39.129 1.00 56.55 C ATOM 33 C GLN A 629 7.831 22.903 -38.487 1.00 53.19 C ATOM 34 O GLN A 629 8.244 22.191 -37.570 1.00 50.07 O ATOM 35 CB GLN A 629 9.975 23.228 -39.695 1.00 56.77 C ATOM 36 CG GLN A 629 10.829 24.062 -40.616 1.00 63.54 C ATOM 37 CD GLN A 629 12.061 23.295 -41.072 1.00 71.08 C ATOM 38 OE1 GLN A 629 12.534 22.385 -40.377 1.00 74.72 O ATOM 39 NE2 GLN A 629 12.564 23.629 -42.260 1.00 73.02 N ATOM 40 HE22 GLN A 629 12.134 24.401 -42.809 1.00 0.00 H ATOM 41 HE21 GLN A 629 13.387 23.118 -42.638 1.00 0.00 H ATOM 42 H GLN A 629 10.102 25.027 -37.827 1.00 0.00 H ATOM 43 N LEU A 630 6.592 22.818 -38.981 1.00 46.44 N ATOM 44 CA LEU A 630 5.614 21.904 -38.393 1.00 40.77 C ATOM 45 C LEU A 630 6.077 20.441 -38.337 1.00 35.89 C ATOM 46 O LEU A 630 6.028 19.814 -37.273 1.00 36.84 O ATOM 47 CB LEU A 630 4.285 21.967 -39.150 1.00 37.20 C ATOM 48 CG LEU A 630 3.156 21.322 -38.328 1.00 32.56 C ATOM 49 CD1 LEU A 630 2.499 22.302 -37.341 1.00 34.03 C ATOM 50 CD2 LEU A 630 2.139 20.668 -39.216 1.00 36.09 C ATOM 51 H LEU A 630 6.321 23.409 -39.793 1.00 0.00 H ATOM 52 N THR A 631 6.559 19.918 -39.457 1.00 33.28 N ATOM 53 CA THR A 631 6.818 18.483 -39.587 1.00 30.70 C ATOM 54 C THR A 631 7.779 17.909 -38.500 1.00 39.57 C ATOM 55 O THR A 631 7.482 16.853 -37.946 1.00 43.98 O ATOM 56 CB THR A 631 7.339 18.174 -41.003 1.00 37.97 C ATOM 57 OG1 THR A 631 6.228 18.100 -41.897 1.00 46.29 O ATOM 58 CG2 THR A 631 8.137 16.882 -41.038 1.00 30.45 C ATOM 59 HG1 THR A 631 6.554 17.902 -42.811 1.00 0.00 H ATOM 60 H THR A 631 6.758 20.544 -40.264 1.00 0.00 H ATOM 61 N PRO A 632 8.923 18.580 -38.194 1.00 36.89 N ATOM 62 CA PRO A 632 9.770 18.113 -37.071 1.00 30.93 C ATOM 63 C PRO A 632 9.067 18.181 -35.700 1.00 31.88 C ATOM 64 O PRO A 632 9.249 17.292 -34.875 1.00 27.08 O ATOM 65 CB PRO A 632 10.974 19.066 -37.110 1.00 29.17 C ATOM 66 CG PRO A 632 11.030 19.537 -38.499 1.00 29.92 C ATOM 67 CD PRO A 632 9.601 19.652 -38.948 1.00 34.11 C ATOM 68 N PHE A 633 8.259 19.215 -35.488 1.00 32.01 N ATOM 69 CA PHE A 633 7.485 19.372 -34.250 1.00 37.01 C ATOM 70 C PHE A 633 6.548 18.188 -34.037 1.00 42.06 C ATOM 71 O PHE A 633 6.479 17.645 -32.938 1.00 44.80 O ATOM 72 CB PHE A 633 6.641 20.661 -34.322 1.00 33.13 C ATOM 73 CG PHE A 633 5.768 20.907 -33.123 1.00 35.87 C ATOM 74 CD1 PHE A 633 6.317 21.102 -31.856 1.00 31.72 C ATOM 75 CD2 PHE A 633 4.382 20.928 -33.261 1.00 37.75 C ATOM 76 CE1 PHE A 633 5.498 21.329 -30.750 1.00 34.07 C ATOM 77 CE2 PHE A 633 3.549 21.160 -32.159 1.00 36.28 C ATOM 78 CZ PHE A 633 4.109 21.367 -30.901 1.00 28.30 C ATOM 79 H PHE A 633 8.172 19.941 -36.228 1.00 0.00 H ATOM 80 N LEU A 634 5.836 17.802 -35.097 1.00 43.03 N ATOM 81 CA LEU A 634 4.900 16.678 -35.019 1.00 33.45 C ATOM 82 C LEU A 634 5.564 15.319 -34.745 1.00 27.31 C ATOM 83 O LEU A 634 5.037 14.527 -33.982 1.00 28.18 O ATOM 84 CB LEU A 634 4.059 16.591 -36.317 1.00 33.00 C ATOM 85 CG LEU A 634 2.963 17.646 -36.466 1.00 32.83 C ATOM 86 CD1 LEU A 634 2.047 17.244 -37.617 1.00 32.49 C ATOM 87 CD2 LEU A 634 2.162 17.810 -35.175 1.00 29.53 C ATOM 88 H LEU A 634 5.948 18.310 -35.998 1.00 0.00 H ATOM 89 N ILE A 635 6.712 15.047 -35.373 1.00 26.19 N ATOM 90 CA ILE A 635 7.374 13.740 -35.059 1.00 26.87 C ATOM 91 C ILE A 635 7.920 13.800 -33.642 1.00 29.07 C ATOM 92 O ILE A 635 8.067 12.761 -33.001 1.00 33.08 O ATOM 93 CB ILE A 635 8.474 13.325 -36.089 1.00 52.47 C ATOM 94 CG1 ILE A 635 9.194 14.527 -36.721 1.00 57.17 C ATOM 95 CG2 ILE A 635 7.908 12.397 -37.164 1.00 49.18 C ATOM 96 CD1 ILE A 635 10.105 14.150 -37.933 1.00 34.86 C ATOM 97 H ILE A 635 7.129 15.715 -36.052 1.00 0.00 H ATOM 98 N LEU A 636 8.301 15.006 -33.192 1.00 30.58 N ATOM 99 CA LEU A 636 8.625 15.201 -31.773 1.00 32.88 C ATOM 100 C LEU A 636 7.420 14.806 -30.908 1.00 30.67 C ATOM 101 O LEU A 636 7.561 14.062 -29.957 1.00 34.73 O ATOM 102 CB LEU A 636 9.006 16.650 -31.447 1.00 25.86 C ATOM 103 CG LEU A 636 9.225 16.838 -29.937 1.00 33.86 C ATOM 104 CD1 LEU A 636 10.294 15.867 -29.376 1.00 32.77 C ATOM 105 CD2 LEU A 636 9.623 18.272 -29.543 1.00 35.99 C ATOM 106 H LEU A 636 8.367 15.807 -33.852 1.00 0.00 H ATOM 107 N LEU A 637 6.242 15.302 -31.269 1.00 31.08 N ATOM 108 CA LEU A 637 5.047 14.981 -30.506 1.00 25.73 C ATOM 109 C LEU A 637 4.716 13.491 -30.559 1.00 23.45 C ATOM 110 O LEU A 637 4.270 12.924 -29.570 1.00 30.03 O ATOM 111 CB LEU A 637 3.861 15.827 -30.987 1.00 22.79 C ATOM 112 CG LEU A 637 3.894 17.346 -30.768 1.00 22.72 C ATOM 113 CD1 LEU A 637 2.555 17.982 -31.068 1.00 22.37 C ATOM 114 CD2 LEU A 637 4.309 17.690 -29.349 1.00 22.66 C ATOM 115 H LEU A 637 6.174 15.923 -32.101 1.00 0.00 H ATOM 116 N ARG A 638 4.959 12.861 -31.703 1.00 31.02 N ATOM 117 CA ARG A 638 4.699 11.427 -31.867 1.00 33.13 C ATOM 118 C ARG A 638 5.579 10.599 -30.930 1.00 31.47 C ATOM 119 O ARG A 638 5.081 9.745 -30.181 1.00 27.63 O ATOM 120 CB ARG A 638 4.931 10.992 -33.327 1.00 36.81 C ATOM 121 CG ARG A 638 3.775 11.333 -34.273 1.00 33.53 C ATOM 122 CD ARG A 638 3.989 10.816 -35.726 1.00 29.95 C ATOM 123 NE ARG A 638 3.024 11.445 -36.640 1.00 35.15 N ATOM 124 CZ ARG A 638 3.269 12.530 -37.372 1.00 35.30 C ATOM 125 NH1 ARG A 638 4.473 13.089 -37.344 1.00 36.97 N ATOM 126 NH2 ARG A 638 2.320 13.049 -38.153 1.00 32.06 N ATOM 127 HE ARG A 638 2.082 11.011 -36.721 1.00 0.00 H ATOM 128 HH12 ARG A 638 4.666 13.936 -37.915 1.00 0.00 H ATOM 129 HH11 ARG A 638 5.223 12.679 -36.751 1.00 0.00 H ATOM 130 HH22 ARG A 638 2.520 13.897 -38.721 1.00 0.00 H ATOM 131 HH21 ARG A 638 1.380 12.606 -38.194 1.00 0.00 H ATOM 132 H ARG A 638 5.344 13.400 -32.505 1.00 0.00 H ATOM 133 N LYS A 639 6.877 10.909 -30.949 1.00 34.08 N ATOM 134 CA LYS A 639 7.885 10.248 -30.115 1.00 32.69 C ATOM 135 C LYS A 639 7.578 10.417 -28.633 1.00 30.28 C ATOM 136 O LYS A 639 7.616 9.462 -27.853 1.00 30.13 O ATOM 137 CB LYS A 639 9.267 10.848 -30.393 1.00 36.45 C ATOM 138 CG LYS A 639 10.419 10.183 -29.635 1.00 40.49 C ATOM 139 CD LYS A 639 11.655 11.061 -29.683 1.00 41.16 C ATOM 140 CE LYS A 639 12.540 10.752 -28.486 1.00 46.83 C ATOM 141 NZ LYS A 639 13.318 11.950 -28.039 1.00 48.95 N ATOM 142 HZ1 LYS A 639 13.926 12.277 -28.817 1.00 0.00 H ATOM 143 HZ2 LYS A 639 12.660 12.709 -27.769 1.00 0.00 H ATOM 144 HZ3 LYS A 639 13.907 11.694 -27.221 1.00 0.00 H ATOM 145 H LYS A 639 7.191 11.663 -31.593 1.00 0.00 H ATOM 146 N THR A 640 7.275 11.659 -28.268 1.00 31.10 N ATOM 147 CA THR A 640 6.858 12.006 -26.916 1.00 32.39 C ATOM 148 C THR A 640 5.624 11.225 -26.460 1.00 36.63 C ATOM 149 O THR A 640 5.574 10.722 -25.334 1.00 37.39 O ATOM 150 CB THR A 640 6.518 13.498 -26.808 1.00 26.78 C ATOM 151 OG1 THR A 640 7.606 14.282 -27.307 1.00 30.88 O ATOM 152 CG2 THR A 640 6.234 13.877 -25.364 1.00 28.02 C ATOM 153 HG1 THR A 640 7.770 14.051 -28.256 1.00 0.00 H ATOM 154 H THR A 640 7.338 12.416 -28.979 1.00 0.00 H ATOM 155 N LEU A 641 4.639 11.123 -27.344 1.00 37.49 N ATOM 156 CA LEU A 641 3.408 10.455 -26.988 1.00 35.46 C ATOM 157 C LEU A 641 3.605 8.981 -26.588 1.00 33.20 C ATOM 158 O LEU A 641 3.066 8.559 -25.584 1.00 40.08 O ATOM 159 CB LEU A 641 2.408 10.567 -28.158 1.00 33.50 C ATOM 160 CG LEU A 641 1.017 9.992 -27.923 1.00 29.14 C ATOM 161 CD1 LEU A 641 0.322 10.728 -26.791 1.00 21.36 C ATOM 162 CD2 LEU A 641 0.223 10.086 -29.211 1.00 25.75 C ATOM 163 H LEU A 641 4.754 11.525 -28.296 1.00 0.00 H ATOM 164 N GLU A 642 4.392 8.216 -27.340 1.00 27.88 N ATOM 165 CA GLU A 642 4.552 6.807 -26.934 1.00 38.39 C ATOM 166 C GLU A 642 5.581 6.661 -25.844 1.00 34.62 C ATOM 167 O GLU A 642 5.690 5.573 -25.282 1.00 35.75 O ATOM 168 CB GLU A 642 4.873 5.870 -28.097 1.00 49.78 C ATOM 169 CG GLU A 642 5.556 6.434 -29.294 1.00 58.97 C ATOM 170 CD GLU A 642 5.066 5.743 -30.562 1.00 68.82 C ATOM 171 OE1 GLU A 642 4.015 5.067 -30.470 1.00 77.91 O ATOM 172 OE2 GLU A 642 5.720 5.841 -31.629 1.00 64.17 O ATOM 173 H GLU A 642 4.874 8.596 -28.179 1.00 0.00 H ATOM 174 N GLN A 643 6.355 7.721 -25.562 1.00 32.28 N ATOM 175 CA GLN A 643 7.175 7.754 -24.341 1.00 29.10 C ATOM 176 C GLN A 643 6.230 7.880 -23.155 1.00 33.95 C ATOM 177 O GLN A 643 6.438 7.248 -22.126 1.00 38.45 O ATOM 178 CB GLN A 643 8.173 8.920 -24.321 1.00 29.15 C ATOM 179 CG GLN A 643 9.498 8.675 -25.099 1.00 32.72 C ATOM 180 CD GLN A 643 10.385 9.923 -25.133 1.00 37.33 C ATOM 181 OE1 GLN A 643 9.881 11.032 -25.209 1.00 49.74 O ATOM 182 NE2 GLN A 643 11.696 9.741 -25.112 1.00 32.77 N ATOM 183 HE22 GLN A 643 12.087 8.779 -25.046 1.00 0.00 H ATOM 184 HE21 GLN A 643 12.335 10.560 -25.161 1.00 0.00 H ATOM 185 H GLN A 643 6.375 8.530 -26.216 1.00 0.00 H ATOM 186 N LEU A 644 5.183 8.696 -23.301 1.00 34.52 N ATOM 187 CA LEU A 644 4.183 8.779 -22.254 1.00 33.23 C ATOM 188 C LEU A 644 3.512 7.430 -22.082 1.00 37.84 C ATOM 189 O LEU A 644 3.311 6.967 -20.960 1.00 39.51 O ATOM 190 CB LEU A 644 3.149 9.870 -22.560 1.00 22.84 C ATOM 191 CG LEU A 644 3.813 11.247 -22.552 1.00 24.94 C ATOM 192 CD1 LEU A 644 2.906 12.313 -23.111 1.00 30.26 C ATOM 193 CD2 LEU A 644 4.241 11.611 -21.128 1.00 23.43 C ATOM 194 H LEU A 644 5.085 9.270 -24.163 1.00 0.00 H ATOM 195 N GLN A 645 3.219 6.780 -23.198 1.00 38.45 N ATOM 196 CA GLN A 645 2.471 5.526 -23.173 1.00 41.17 C ATOM 197 C GLN A 645 3.219 4.319 -22.593 1.00 39.67 C ATOM 198 O GLN A 645 2.600 3.383 -22.100 1.00 41.06 O ATOM 199 CB GLN A 645 2.030 5.212 -24.596 1.00 44.20 C ATOM 200 CG GLN A 645 0.899 4.266 -24.700 1.00 45.59 C ATOM 201 CD GLN A 645 -0.018 4.690 -25.808 1.00 51.69 C ATOM 202 OE1 GLN A 645 0.265 5.671 -26.509 1.00 47.54 O ATOM 203 NE2 GLN A 645 -1.137 3.982 -25.969 1.00 55.97 N ATOM 204 HE22 GLN A 645 -1.329 3.166 -25.354 1.00 0.00 H ATOM 205 HE21 GLN A 645 -1.818 4.246 -26.710 1.00 0.00 H ATOM 206 H GLN A 645 3.528 7.171 -24.111 1.00 0.00 H ATOM 207 N GLU A 646 4.549 4.355 -22.670 1.00 45.28 N ATOM 208 CA GLU A 646 5.371 3.252 -22.145 1.00 45.98 C ATOM 209 C GLU A 646 5.481 3.402 -20.622 1.00 35.49 C ATOM 210 O GLU A 646 5.815 2.463 -19.919 1.00 35.46 O ATOM 211 CB GLU A 646 6.750 3.202 -22.818 1.00 56.50 C ATOM 212 CG GLU A 646 6.681 2.889 -24.318 1.00 74.20 C ATOM 213 CD GLU A 646 6.739 1.405 -24.668 1.00 89.94 C ATOM 214 OE1 GLU A 646 6.784 0.560 -23.749 1.00 95.14 O ATOM 215 OE2 GLU A 646 6.711 1.082 -25.874 1.00 95.61 O ATOM 216 H GLU A 646 5.014 5.176 -23.108 1.00 0.00 H ATOM 217 N LYS A 647 5.185 4.601 -20.127 1.00 31.98 N ATOM 218 CA LYS A 647 5.062 4.824 -18.697 1.00 33.47 C ATOM 219 C LYS A 647 3.736 4.233 -18.134 1.00 33.41 C ATOM 220 O LYS A 647 3.673 3.846 -16.976 1.00 34.97 O ATOM 221 CB LYS A 647 5.159 6.325 -18.403 1.00 31.76 C ATOM 222 CG LYS A 647 6.475 6.955 -18.890 1.00 36.33 C ATOM 223 CD LYS A 647 7.653 6.328 -18.146 1.00 40.09 C ATOM 224 CE LYS A 647 9.005 6.882 -18.574 1.00 38.57 C ATOM 225 NZ LYS A 647 10.093 6.105 -17.913 1.00 41.30 N ATOM 226 HZ1 LYS A 647 9.996 6.185 -16.881 1.00 0.00 H ATOM 227 HZ2 LYS A 647 10.023 5.106 -18.193 1.00 0.00 H ATOM 228 HZ3 LYS A 647 11.016 6.485 -18.206 1.00 0.00 H ATOM 229 H LYS A 647 5.038 5.397 -20.779 1.00 0.00 H ATOM 230 N ASP A 648 2.703 4.148 -18.974 1.00 31.21 N ATOM 231 CA ASP A 648 1.414 3.530 -18.620 1.00 28.60 C ATOM 232 C ASP A 648 1.464 2.012 -18.883 1.00 34.28 C ATOM 233 O ASP A 648 0.822 1.505 -19.805 1.00 33.08 O ATOM 234 CB ASP A 648 0.308 4.212 -19.445 1.00 30.93 C ATOM 235 CG ASP A 648 -1.064 3.591 -19.265 1.00 42.73 C ATOM 236 OD1 ASP A 648 -1.337 2.958 -18.224 1.00 45.59 O ATOM 237 OD2 ASP A 648 -1.879 3.745 -20.204 1.00 47.97 O ATOM 238 H ASP A 648 2.814 4.540 -19.931 1.00 0.00 H ATOM 239 N THR A 649 2.175 1.284 -18.026 1.00 39.41 N ATOM 240 CA THR A 649 2.487 -0.135 -18.249 1.00 47.17 C ATOM 241 C THR A 649 1.284 -1.043 -18.057 1.00 47.74 C ATOM 242 O THR A 649 1.277 -2.173 -18.541 1.00 50.23 O ATOM 243 CB THR A 649 3.605 -0.636 -17.306 1.00 52.91 C ATOM 244 OG1 THR A 649 3.302 -0.252 -15.959 1.00 55.31 O ATOM 245 CG2 THR A 649 4.983 -0.069 -17.711 1.00 55.78 C ATOM 246 HG1 THR A 649 4.019 -0.573 -15.356 1.00 0.00 H ATOM 247 H THR A 649 2.526 1.739 -17.159 1.00 0.00 H ATOM 248 N GLY A 650 0.313 -0.573 -17.279 1.00 47.22 N ATOM 249 CA GLY A 650 -0.948 -1.271 -17.095 1.00 47.12 C ATOM 250 C GLY A 650 -1.944 -1.103 -18.235 1.00 41.27 C ATOM 251 O GLY A 650 -3.000 -1.737 -18.218 1.00 40.48 O ATOM 252 H GLY A 650 0.462 0.329 -16.783 1.00 0.00 H ATOM 253 N ASN A 651 -1.609 -0.264 -19.218 1.00 35.14 N ATOM 254 CA ASN A 651 -2.536 0.106 -20.292 1.00 31.18 C ATOM 255 C ASN A 651 -3.898 0.597 -19.787 1.00 31.03 C ATOM 256 O ASN A 651 -4.946 0.261 -20.340 1.00 28.73 O ATOM 257 CB ASN A 651 -2.740 -1.088 -21.233 1.00 33.40 C ATOM 258 CG ASN A 651 -1.462 -1.499 -21.922 1.00 43.45 C ATOM 259 OD1 ASN A 651 -0.746 -0.655 -22.466 1.00 50.88 O ATOM 260 ND2 ASN A 651 -1.144 -2.798 -21.877 1.00 35.66 N ATOM 261 HD22 ASN A 651 -1.780 -3.473 -21.407 1.00 0.00 H ATOM 262 HD21 ASN A 651 -0.261 -3.133 -22.312 1.00 0.00 H ATOM 263 H ASN A 651 -0.652 0.143 -19.222 1.00 0.00 H ATOM 264 N ILE A 652 -3.869 1.405 -18.735 1.00 30.76 N ATOM 265 CA ILE A 652 -5.082 1.940 -18.137 1.00 27.25 C ATOM 266 C ILE A 652 -5.606 3.144 -18.941 1.00 34.25 C ATOM 267 O ILE A 652 -6.818 3.385 -19.027 1.00 45.87 O ATOM 268 CB ILE A 652 -4.815 2.334 -16.668 1.00 26.59 C ATOM 269 CG1 ILE A 652 -4.544 1.092 -15.827 1.00 33.28 C ATOM 270 CG2 ILE A 652 -5.942 3.200 -16.088 1.00 25.31 C ATOM 271 CD1 ILE A 652 -4.384 1.381 -14.360 1.00 39.88 C ATOM 272 H ILE A 652 -2.949 1.664 -18.325 1.00 0.00 H ATOM 273 N PHE A 653 -4.691 3.889 -19.556 1.00 30.48 N ATOM 274 CA PHE A 653 -5.062 5.134 -20.213 1.00 29.57 C ATOM 275 C PHE A 653 -4.935 5.051 -21.745 1.00 33.54 C ATOM 276 O PHE A 653 -5.057 6.063 -22.444 1.00 35.24 O ATOM 277 CB PHE A 653 -4.213 6.290 -19.667 1.00 24.11 C ATOM 278 CG PHE A 653 -4.299 6.456 -18.171 1.00 27.25 C ATOM 279 CD1 PHE A 653 -5.358 7.153 -17.599 1.00 25.31 C ATOM 280 CD2 PHE A 653 -3.332 5.901 -17.331 1.00 35.53 C ATOM 281 CE1 PHE A 653 -5.455 7.318 -16.218 1.00 28.98 C ATOM 282 CE2 PHE A 653 -3.414 6.052 -15.939 1.00 37.29 C ATOM 283 CZ PHE A 653 -4.485 6.758 -15.378 1.00 31.72 C ATOM 284 H PHE A 653 -3.699 3.578 -19.567 1.00 0.00 H ATOM 285 N SER A 654 -4.744 3.839 -22.258 1.00 28.74 N ATOM 286 CA SER A 654 -4.564 3.628 -23.690 1.00 31.95 C ATOM 287 C SER A 654 -5.773 4.109 -24.499 1.00 32.31 C ATOM 288 O SER A 654 -5.620 4.679 -25.582 1.00 28.74 O ATOM 289 CB SER A 654 -4.324 2.146 -23.983 1.00 32.67 C ATOM 290 OG SER A 654 -3.227 1.649 -23.248 1.00 44.79 O ATOM 291 HG SER A 654 -3.097 0.690 -23.458 1.00 0.00 H ATOM 292 H SER A 654 -4.722 3.018 -21.620 1.00 0.00 H ATOM 293 N GLU A 655 -6.971 3.887 -23.967 1.00 28.70 N ATOM 294 CA GLU A 655 -8.193 4.142 -24.735 1.00 34.18 C ATOM 295 C GLU A 655 -9.206 4.913 -23.903 1.00 27.70 C ATOM 296 O GLU A 655 -9.061 4.978 -22.689 1.00 39.54 O ATOM 297 CB GLU A 655 -8.827 2.831 -25.247 1.00 34.05 C ATOM 298 CG GLU A 655 -8.209 2.262 -26.510 1.00 42.00 C ATOM 299 CD GLU A 655 -8.381 0.740 -26.638 1.00 51.08 C ATOM 300 OE1 GLU A 655 -9.266 0.179 -25.957 1.00 54.46 O ATOM 301 OE2 GLU A 655 -7.675 0.112 -27.462 1.00 54.82 O ATOM 302 H GLU A 655 -7.042 3.528 -22.994 1.00 0.00 H ATOM 303 N PRO A 656 -10.220 5.522 -24.556 1.00 27.24 N ATOM 304 CA PRO A 656 -11.197 6.299 -23.791 1.00 28.95 C ATOM 305 C PRO A 656 -11.781 5.490 -22.654 1.00 32.15 C ATOM 306 O PRO A 656 -11.859 4.258 -22.763 1.00 36.31 O ATOM 307 CB PRO A 656 -12.270 6.638 -24.829 1.00 33.69 C ATOM 308 CG PRO A 656 -11.541 6.670 -26.115 1.00 29.65 C ATOM 309 CD PRO A 656 -10.480 5.611 -26.006 1.00 28.62 C ATOM 310 N VAL A 657 -12.105 6.164 -21.552 1.00 34.02 N ATOM 311 CA VAL A 657 -12.741 5.503 -20.426 1.00 35.74 C ATOM 312 C VAL A 657 -14.048 4.916 -20.963 1.00 35.19 C ATOM 313 O VAL A 657 -14.920 5.644 -21.420 1.00 36.85 O ATOM 314 CB VAL A 657 -12.963 6.468 -19.247 1.00 37.33 C ATOM 315 CG1 VAL A 657 -13.681 5.757 -18.131 1.00 39.22 C ATOM 316 CG2 VAL A 657 -11.618 6.975 -18.735 1.00 29.51 C ATOM 317 H VAL A 657 -11.899 7.182 -21.497 1.00 0.00 H ATOM 318 N PRO A 658 -14.144 3.582 -20.961 1.00 34.20 N ATOM 319 CA PRO A 658 -15.239 2.835 -21.575 1.00 36.60 C ATOM 320 C PRO A 658 -16.593 3.091 -20.931 1.00 38.04 C ATOM 321 O PRO A 658 -16.864 2.587 -19.837 1.00 38.03 O ATOM 322 CB PRO A 658 -14.801 1.365 -21.407 1.00 38.92 C ATOM 323 CG PRO A 658 -13.843 1.374 -20.262 1.00 38.47 C ATOM 324 CD PRO A 658 -13.127 2.687 -20.370 1.00 39.13 C ATOM 325 N LEU A 659 -17.428 3.864 -21.622 1.00 36.65 N ATOM 326 CA LEU A 659 -18.757 4.249 -21.140 1.00 47.47 C ATOM 327 C LEU A 659 -19.565 2.966 -20.902 1.00 52.46 C ATOM 328 O LEU A 659 -20.559 2.955 -20.171 1.00 50.74 O ATOM 329 CB LEU A 659 -19.453 5.158 -22.157 1.00 44.12 C ATOM 330 CG LEU A 659 -18.589 6.341 -22.638 1.00 44.23 C ATOM 331 CD1 LEU A 659 -19.280 7.159 -23.740 1.00 43.14 C ATOM 332 CD2 LEU A 659 -18.125 7.247 -21.477 1.00 41.07 C ATOM 333 H LEU A 659 -17.121 4.213 -22.552 1.00 0.00 H ATOM 334 N SER A 660 -19.102 1.890 -21.541 1.00 52.93 N ATOM 335 CA SER A 660 -19.652 0.556 -21.389 1.00 53.44 C ATOM 336 C SER A 660 -19.553 0.030 -19.959 1.00 50.26 C ATOM 337 O SER A 660 -20.519 -0.500 -19.426 1.00 59.13 O ATOM 338 CB SER A 660 -18.890 -0.405 -22.301 1.00 61.58 C ATOM 339 OG SER A 660 -18.587 0.206 -23.542 1.00 68.80 O ATOM 340 HG SER A 660 -18.095 -0.436 -24.113 1.00 0.00 H ATOM 341 H SER A 660 -18.297 2.015 -22.188 1.00 0.00 H ATOM 342 N GLU A 661 -18.388 0.180 -19.332 1.00 40.81 N ATOM 343 CA GLU A 661 -18.201 -0.344 -17.983 1.00 38.22 C ATOM 344 C GLU A 661 -18.491 0.686 -16.889 1.00 41.87 C ATOM 345 O GLU A 661 -18.688 0.337 -15.722 1.00 45.11 O ATOM 346 CB GLU A 661 -16.793 -0.931 -17.822 1.00 46.08 C ATOM 347 CG GLU A 661 -16.449 -2.022 -18.842 1.00 50.74 C ATOM 348 CD GLU A 661 -16.733 -3.434 -18.299 1.00 52.79 C ATOM 349 OE1 GLU A 661 -16.230 -3.760 -17.193 1.00 57.16 O ATOM 350 OE2 GLU A 661 -17.462 -4.212 -18.963 1.00 44.17 O ATOM 351 H GLU A 661 -17.606 0.674 -19.807 1.00 0.00 H ATOM 352 N VAL A 662 -18.497 1.956 -17.263 1.00 40.09 N ATOM 353 CA VAL A 662 -18.717 3.027 -16.302 1.00 30.21 C ATOM 354 C VAL A 662 -19.661 4.091 -16.865 1.00 37.12 C ATOM 355 O VAL A 662 -19.228 5.144 -17.330 1.00 37.45 O ATOM 356 CB VAL A 662 -17.373 3.668 -15.853 1.00 49.89 C ATOM 357 CG1 VAL A 662 -16.748 2.855 -14.720 1.00 47.90 C ATOM 358 CG2 VAL A 662 -16.402 3.777 -17.018 1.00 46.65 C ATOM 359 H VAL A 662 -18.341 2.193 -18.264 1.00 0.00 H ATOM 360 N PRO A 663 -20.972 3.811 -16.832 1.00 50.06 N ATOM 361 CA PRO A 663 -22.003 4.654 -17.451 1.00 54.48 C ATOM 362 C PRO A 663 -21.975 6.088 -16.922 1.00 56.87 C ATOM 363 O PRO A 663 -22.349 7.031 -17.624 1.00 54.76 O ATOM 364 CB PRO A 663 -23.317 3.964 -17.044 1.00 55.88 C ATOM 365 CG PRO A 663 -22.938 2.558 -16.796 1.00 56.76 C ATOM 366 CD PRO A 663 -21.553 2.616 -16.197 1.00 54.91 C ATOM 367 N ASP A 664 -21.579 6.235 -15.662 1.00 60.70 N ATOM 368 CA ASP A 664 -21.608 7.532 -14.999 1.00 58.41 C ATOM 369 C ASP A 664 -20.370 8.408 -15.254 1.00 50.68 C ATOM 370 O ASP A 664 -20.342 9.568 -14.844 1.00 50.63 O ATOM 371 CB ASP A 664 -21.811 7.313 -13.488 1.00 59.81 C ATOM 372 CG ASP A 664 -20.635 6.587 -12.823 1.00 64.13 C ATOM 373 OD1 ASP A 664 -19.896 5.859 -13.520 1.00 63.17 O ATOM 374 OD2 ASP A 664 -20.472 6.716 -11.589 1.00 65.70 O ATOM 375 H ASP A 664 -21.240 5.404 -15.136 1.00 0.00 H ATOM 376 N TYR A 665 -19.367 7.871 -15.944 1.00 47.13 N ATOM 377 CA TYR A 665 -18.081 8.578 -16.093 1.00 48.87 C ATOM 378 C TYR A 665 -18.211 9.995 -16.645 1.00 41.99 C ATOM 379 O TYR A 665 -17.439 10.888 -16.303 1.00 38.79 O ATOM 380 CB TYR A 665 -17.106 7.790 -16.971 1.00 49.53 C ATOM 381 CG TYR A 665 -15.756 8.467 -17.052 1.00 48.92 C ATOM 382 CD1 TYR A 665 -14.808 8.323 -16.040 1.00 43.82 C ATOM 383 CD2 TYR A 665 -15.449 9.292 -18.129 1.00 46.51 C ATOM 384 CE1 TYR A 665 -13.589 8.960 -16.120 1.00 37.42 C ATOM 385 CE2 TYR A 665 -14.233 9.929 -18.216 1.00 46.06 C ATOM 386 CZ TYR A 665 -13.311 9.762 -17.213 1.00 37.27 C ATOM 387 OH TYR A 665 -12.114 10.406 -17.324 1.00 33.32 O ATOM 388 HH TYR A 665 -11.553 10.196 -16.536 1.00 0.00 H ATOM 389 H TYR A 665 -19.492 6.938 -16.385 1.00 0.00 H ATOM 390 N LEU A 666 -19.156 10.167 -17.553 1.00 46.13 N ATOM 391 CA LEU A 666 -19.357 11.433 -18.231 1.00 46.59 C ATOM 392 C LEU A 666 -20.085 12.452 -17.362 1.00 52.36 C ATOM 393 O LEU A 666 -20.137 13.625 -17.723 1.00 59.50 O ATOM 394 CB LEU A 666 -20.137 11.210 -19.524 1.00 48.13 C ATOM 395 CG LEU A 666 -19.664 11.902 -20.800 1.00 50.25 C ATOM 396 CD1 LEU A 666 -18.373 11.275 -21.325 1.00 45.36 C ATOM 397 CD2 LEU A 666 -20.778 11.847 -21.851 1.00 57.69 C ATOM 398 H LEU A 666 -19.777 9.367 -17.789 1.00 0.00 H ATOM 399 N ASP A 667 -20.609 12.022 -16.209 1.00 51.77 N ATOM 400 CA ASP A 667 -21.372 12.930 -15.345 1.00 60.21 C ATOM 401 C ASP A 667 -20.631 14.178 -14.863 1.00 61.64 C ATOM 402 O ASP A 667 -21.175 15.290 -14.911 1.00 64.40 O ATOM 403 CB ASP A 667 -21.842 12.185 -14.084 1.00 60.73 C ATOM 404 CG ASP A 667 -23.045 11.295 -14.328 1.00 59.02 C ATOM 405 OD1 ASP A 667 -23.629 11.353 -15.436 1.00 56.25 O ATOM 406 OD2 ASP A 667 -23.395 10.529 -13.397 1.00 54.89 O ATOM 407 H ASP A 667 -20.474 11.032 -15.921 1.00 0.00 H ATOM 408 N HIS A 668 -19.398 13.992 -14.405 1.00 60.19 N ATOM 409 CA HIS A 668 -18.617 15.087 -13.827 1.00 66.30 C ATOM 410 C HIS A 668 -17.375 15.442 -14.649 1.00 62.12 C ATOM 411 O HIS A 668 -16.671 16.411 -14.346 1.00 63.50 O ATOM 412 CB HIS A 668 -18.243 14.793 -12.369 1.00 70.99 C ATOM 413 CG HIS A 668 -19.428 14.620 -11.469 1.00 75.50 C ATOM 414 ND1 HIS A 668 -20.243 15.672 -11.105 1.00 81.73 N ATOM 415 CD2 HIS A 668 -19.921 13.529 -10.838 1.00 78.88 C ATOM 416 CE1 HIS A 668 -21.200 15.232 -10.306 1.00 85.72 C ATOM 417 NE2 HIS A 668 -21.027 13.935 -10.126 1.00 85.28 N ATOM 418 H HIS A 668 -18.976 13.043 -14.458 1.00 0.00 H ATOM 419 N ILE A 669 -17.103 14.650 -15.677 1.00 57.50 N ATOM 420 CA ILE A 669 -15.900 14.848 -16.474 1.00 53.78 C ATOM 421 C ILE A 669 -16.232 15.535 -17.802 1.00 54.27 C ATOM 422 O ILE A 669 -16.788 14.933 -18.727 1.00 47.17 O ATOM 423 CB ILE A 669 -15.201 13.515 -16.743 1.00 43.04 C ATOM 424 CG1 ILE A 669 -14.825 12.862 -15.412 1.00 35.67 C ATOM 425 CG2 ILE A 669 -13.983 13.724 -17.627 1.00 38.87 C ATOM 426 CD1 ILE A 669 -14.079 13.782 -14.485 1.00 34.27 C ATOM 427 H ILE A 669 -17.757 13.878 -15.917 1.00 0.00 H ATOM 428 N LYS A 670 -15.870 16.814 -17.866 1.00 55.82 N ATOM 429 CA LYS A 670 -16.208 17.672 -18.989 1.00 56.84 C ATOM 430 C LYS A 670 -15.546 17.220 -20.275 1.00 56.68 C ATOM 431 O LYS A 670 -16.200 17.131 -21.316 1.00 58.09 O ATOM 432 CB LYS A 670 -15.811 19.120 -18.684 1.00 55.64 C ATOM 433 CG LYS A 670 -16.120 20.098 -19.805 1.00 55.49 C ATOM 434 H LYS A 670 -15.322 17.216 -17.079 1.00 0.00 H ATOM 435 N LYS A 671 -14.242 16.973 -20.208 1.00 49.47 N ATOM 436 CA LYS A 671 -13.489 16.620 -21.399 1.00 41.59 C ATOM 437 C LYS A 671 -12.622 15.372 -21.212 1.00 36.14 C ATOM 438 O LYS A 671 -11.485 15.454 -20.760 1.00 33.40 O ATOM 439 CB LYS A 671 -12.646 17.827 -21.831 1.00 44.42 C ATOM 440 CG LYS A 671 -11.925 17.674 -23.172 1.00 45.37 C ATOM 441 CD LYS A 671 -11.041 18.885 -23.449 1.00 42.23 C ATOM 442 CE LYS A 671 -10.245 18.712 -24.724 1.00 42.35 C ATOM 443 NZ LYS A 671 -9.404 19.906 -24.967 1.00 46.81 N ATOM 444 HZ1 LYS A 671 -10.012 20.745 -25.056 1.00 0.00 H ATOM 445 HZ2 LYS A 671 -8.748 20.035 -24.170 1.00 0.00 H ATOM 446 HZ3 LYS A 671 -8.863 19.774 -25.845 1.00 0.00 H ATOM 447 H LYS A 671 -13.754 17.033 -19.291 1.00 0.00 H ATOM 448 N PRO A 672 -13.159 14.203 -21.582 1.00 35.13 N ATOM 449 CA PRO A 672 -12.401 12.948 -21.535 1.00 28.61 C ATOM 450 C PRO A 672 -11.134 13.027 -22.380 1.00 31.86 C ATOM 451 O PRO A 672 -11.060 13.835 -23.315 1.00 32.40 O ATOM 452 CB PRO A 672 -13.376 11.917 -22.122 1.00 22.79 C ATOM 453 CG PRO A 672 -14.724 12.520 -21.904 1.00 31.50 C ATOM 454 CD PRO A 672 -14.548 13.997 -22.021 1.00 32.80 C ATOM 455 N MET A 673 -10.126 12.241 -22.016 1.00 30.81 N ATOM 456 CA MET A 673 -8.888 12.209 -22.780 1.00 26.70 C ATOM 457 C MET A 673 -8.152 10.913 -22.502 1.00 24.37 C ATOM 458 O MET A 673 -8.278 10.315 -21.430 1.00 29.84 O ATOM 459 CB MET A 673 -8.002 13.430 -22.468 1.00 24.94 C ATOM 460 CG MET A 673 -6.838 13.649 -23.454 1.00 23.01 C ATOM 461 SD MET A 673 -7.304 13.747 -25.221 1.00 32.97 S ATOM 462 CE MET A 673 -8.529 15.067 -25.132 1.00 26.23 C ATOM 463 H MET A 673 -10.223 11.640 -21.173 1.00 0.00 H ATOM 464 N ASP A 674 -7.386 10.477 -23.486 1.00 21.95 N ATOM 465 CA ASP A 674 -6.682 9.215 -23.405 1.00 21.75 C ATOM 466 C ASP A 674 -5.648 9.263 -24.501 1.00 22.43 C ATOM 467 O ASP A 674 -5.758 10.098 -25.401 1.00 23.31 O ATOM 468 CB ASP A 674 -7.616 8.039 -23.638 1.00 31.14 C ATOM 469 CG ASP A 674 -8.245 8.078 -25.021 1.00 33.64 C ATOM 470 OD1 ASP A 674 -9.321 8.703 -25.198 1.00 34.80 O ATOM 471 OD2 ASP A 674 -7.615 7.510 -25.941 1.00 34.48 O ATOM 472 H ASP A 674 -7.286 11.057 -24.343 1.00 0.00 H ATOM 473 N PHE A 675 -4.707 8.322 -24.484 1.00 22.47 N ATOM 474 CA PHE A 675 -3.608 8.348 -25.427 1.00 26.17 C ATOM 475 C PHE A 675 -4.030 8.161 -26.892 1.00 29.64 C ATOM 476 O PHE A 675 -3.422 8.763 -27.771 1.00 28.84 O ATOM 477 CB PHE A 675 -2.588 7.284 -25.039 1.00 25.46 C ATOM 478 CG PHE A 675 -1.787 7.652 -23.827 1.00 36.03 C ATOM 479 CD1 PHE A 675 -1.135 8.871 -23.769 1.00 35.46 C ATOM 480 CD2 PHE A 675 -1.710 6.806 -22.737 1.00 35.99 C ATOM 481 CE1 PHE A 675 -0.398 9.230 -22.670 1.00 32.69 C ATOM 482 CE2 PHE A 675 -0.978 7.167 -21.629 1.00 39.70 C ATOM 483 CZ PHE A 675 -0.326 8.384 -21.595 1.00 34.60 C ATOM 484 H PHE A 675 -4.762 7.556 -23.783 1.00 0.00 H ATOM 485 N PHE A 676 -5.059 7.353 -27.159 1.00 29.77 N ATOM 486 CA PHE A 676 -5.496 7.142 -28.543 1.00 34.36 C ATOM 487 C PHE A 676 -6.150 8.400 -29.114 1.00 29.69 C ATOM 488 O PHE A 676 -5.897 8.783 -30.259 1.00 31.90 O ATOM 489 CB PHE A 676 -6.455 5.945 -28.659 1.00 37.99 C ATOM 490 CG PHE A 676 -7.037 5.766 -30.043 1.00 34.99 C ATOM 491 CD1 PHE A 676 -6.232 5.353 -31.098 1.00 37.01 C ATOM 492 CD2 PHE A 676 -8.384 5.981 -30.279 1.00 32.66 C ATOM 493 CE1 PHE A 676 -6.750 5.191 -32.371 1.00 42.59 C ATOM 494 CE2 PHE A 676 -8.911 5.817 -31.547 1.00 40.33 C ATOM 495 CZ PHE A 676 -8.093 5.421 -32.598 1.00 42.05 C ATOM 496 H PHE A 676 -5.553 6.871 -26.381 1.00 0.00 H ATOM 497 N THR A 677 -6.973 9.048 -28.306 1.00 24.20 N ATOM 498 CA THR A 677 -7.569 10.305 -28.702 1.00 21.50 C ATOM 499 C THR A 677 -6.467 11.336 -28.936 1.00 34.25 C ATOM 500 O THR A 677 -6.567 12.129 -29.860 1.00 36.82 O ATOM 501 CB THR A 677 -8.591 10.794 -27.651 1.00 36.50 C ATOM 502 OG1 THR A 677 -9.661 9.843 -27.555 1.00 38.67 O ATOM 503 CG2 THR A 677 -9.190 12.147 -28.032 1.00 21.64 C ATOM 504 HG1 THR A 677 -9.296 8.964 -27.281 1.00 0.00 H ATOM 505 H THR A 677 -7.195 8.648 -27.372 1.00 0.00 H ATOM 506 N MET A 678 -5.425 11.342 -28.103 1.00 31.08 N ATOM 507 CA MET A 678 -4.264 12.220 -28.342 1.00 28.86 C ATOM 508 C MET A 678 -3.575 11.909 -29.686 1.00 21.20 C ATOM 509 O MET A 678 -3.203 12.824 -30.412 1.00 28.63 O ATOM 510 CB MET A 678 -3.242 12.153 -27.189 1.00 30.13 C ATOM 511 CG MET A 678 -3.723 12.792 -25.872 1.00 30.65 C ATOM 512 SD MET A 678 -2.404 13.151 -24.663 1.00 27.67 S ATOM 513 CE MET A 678 -1.579 14.491 -25.519 1.00 31.33 C ATOM 514 H MET A 678 -5.431 10.717 -27.271 1.00 0.00 H ATOM 515 N LYS A 679 -3.402 10.630 -30.005 1.00 21.58 N ATOM 516 CA LYS A 679 -2.855 10.191 -31.301 1.00 28.08 C ATOM 517 C LYS A 679 -3.703 10.726 -32.481 1.00 33.99 C ATOM 518 O LYS A 679 -3.184 11.240 -33.487 1.00 31.36 O ATOM 519 CB LYS A 679 -2.813 8.652 -31.359 1.00 27.02 C ATOM 520 CG LYS A 679 -2.245 8.012 -32.618 1.00 26.44 C ATOM 521 CD LYS A 679 -0.766 8.340 -32.762 1.00 33.11 C ATOM 522 CE LYS A 679 -0.088 7.550 -33.871 1.00 34.85 C ATOM 523 NZ LYS A 679 1.376 7.822 -33.840 1.00 38.65 N ATOM 524 HZ1 LYS A 679 1.542 8.839 -33.983 1.00 0.00 H ATOM 525 HZ2 LYS A 679 1.762 7.533 -32.918 1.00 0.00 H ATOM 526 HZ3 LYS A 679 1.844 7.284 -34.597 1.00 0.00 H ATOM 527 H LYS A 679 -3.665 9.905 -29.307 1.00 0.00 H ATOM 528 N GLN A 680 -5.018 10.644 -32.310 1.00 30.94 N ATOM 529 CA GLN A 680 -5.985 11.095 -33.307 1.00 35.64 C ATOM 530 C GLN A 680 -5.903 12.606 -33.499 1.00 37.28 C ATOM 531 O GLN A 680 -5.838 13.104 -34.618 1.00 44.62 O ATOM 532 CB GLN A 680 -7.391 10.716 -32.842 1.00 36.45 C ATOM 533 CG GLN A 680 -7.805 9.271 -33.073 1.00 40.91 C ATOM 534 CD GLN A 680 -9.292 9.075 -32.797 1.00 45.04 C ATOM 535 OE1 GLN A 680 -9.844 9.686 -31.866 1.00 39.70 O ATOM 536 NE2 GLN A 680 -9.950 8.237 -33.605 1.00 47.27 N ATOM 537 HE22 GLN A 680 -9.444 7.748 -34.371 1.00 0.00 H ATOM 538 HE21 GLN A 680 -10.968 8.074 -33.467 1.00 0.00 H ATOM 539 H GLN A 680 -5.376 10.238 -31.422 1.00 0.00 H ATOM 540 N ASN A 681 -5.883 13.327 -32.384 1.00 33.87 N ATOM 541 CA ASN A 681 -5.756 14.768 -32.393 1.00 30.39 C ATOM 542 C ASN A 681 -4.457 15.265 -33.052 1.00 34.05 C ATOM 543 O ASN A 681 -4.459 16.263 -33.792 1.00 39.23 O ATOM 544 CB ASN A 681 -5.845 15.294 -30.966 1.00 29.68 C ATOM 545 CG ASN A 681 -7.228 15.142 -30.374 1.00 27.16 C ATOM 546 OD1 ASN A 681 -8.183 14.793 -31.065 1.00 35.27 O ATOM 547 ND2 ASN A 681 -7.349 15.438 -29.092 1.00 26.37 N ATOM 548 HD22 ASN A 681 -6.514 15.729 -28.544 1.00 0.00 H ATOM 549 HD21 ASN A 681 -8.279 15.380 -28.630 1.00 0.00 H ATOM 550 H ASN A 681 -5.962 12.837 -31.470 1.00 0.00 H ATOM 551 N LEU A 682 -3.362 14.563 -32.776 1.00 29.57 N ATOM 552 CA LEU A 682 -2.058 14.886 -33.329 1.00 25.79 C ATOM 553 C LEU A 682 -2.107 14.752 -34.854 1.00 28.52 C ATOM 554 O LEU A 682 -1.720 15.666 -35.577 1.00 30.03 O ATOM 555 CB LEU A 682 -0.984 13.967 -32.743 1.00 31.48 C ATOM 556 CG LEU A 682 0.513 14.289 -32.899 1.00 37.92 C ATOM 557 CD1 LEU A 682 1.361 13.460 -31.925 1.00 37.67 C ATOM 558 CD2 LEU A 682 1.031 14.091 -34.319 1.00 36.64 C ATOM 559 H LEU A 682 -3.443 13.747 -32.136 1.00 0.00 H ATOM 560 N GLU A 683 -2.594 13.613 -35.337 1.00 27.71 N ATOM 561 CA GLU A 683 -2.606 13.349 -36.772 1.00 32.98 C ATOM 562 C GLU A 683 -3.628 14.246 -37.484 1.00 38.94 C ATOM 563 O GLU A 683 -3.549 14.447 -38.698 1.00 41.17 O ATOM 564 CB GLU A 683 -2.931 11.877 -37.056 1.00 34.62 C ATOM 565 CG GLU A 683 -1.961 10.861 -36.456 1.00 40.30 C ATOM 566 CD GLU A 683 -0.566 10.910 -37.072 1.00 47.69 C ATOM 567 OE1 GLU A 683 -0.375 11.591 -38.109 1.00 44.58 O ATOM 568 OE2 GLU A 683 0.346 10.266 -36.501 1.00 53.84 O ATOM 569 H GLU A 683 -2.972 12.899 -34.682 1.00 0.00 H ATOM 570 N ALA A 684 -4.580 14.780 -36.718 1.00 35.10 N ATOM 571 CA ALA A 684 -5.583 15.697 -37.249 1.00 33.98 C ATOM 572 C ALA A 684 -5.132 17.141 -37.103 1.00 36.95 C ATOM 573 O ALA A 684 -5.927 18.071 -37.280 1.00 39.93 O ATOM 574 CB ALA A 684 -6.916 15.493 -36.535 1.00 25.36 C ATOM 575 H ALA A 684 -4.609 14.535 -35.708 1.00 0.00 H ATOM 576 N TYR A 685 -3.845 17.325 -36.810 1.00 35.39 N ATOM 577 CA TYR A 685 -3.271 18.656 -36.666 1.00 34.40 C ATOM 578 C TYR A 685 -3.995 19.503 -35.610 1.00 35.59 C ATOM 579 O TYR A 685 -4.153 20.709 -35.799 1.00 45.23 O ATOM 580 CB TYR A 685 -3.357 19.367 -38.033 1.00 44.95 C ATOM 581 CG TYR A 685 -2.417 18.839 -39.111 1.00 53.34 C ATOM 582 CD1 TYR A 685 -1.689 17.673 -38.925 1.00 56.09 C ATOM 583 CD2 TYR A 685 -2.352 19.448 -40.354 1.00 61.23 C ATOM 584 CE1 TYR A 685 -0.857 17.178 -39.911 1.00 61.67 C ATOM 585 CE2 TYR A 685 -1.530 18.955 -41.355 1.00 64.82 C ATOM 586 CZ TYR A 685 -0.787 17.822 -41.125 1.00 64.40 C ATOM 587 OH TYR A 685 0.025 17.335 -42.115 1.00 63.41 O ATOM 588 HH TYR A 685 0.487 16.521 -41.791 1.00 0.00 H ATOM 589 H TYR A 685 -3.233 16.494 -36.680 1.00 0.00 H ATOM 590 N ARG A 686 -4.438 18.896 -34.504 1.00 28.62 N ATOM 591 CA ARG A 686 -5.102 19.687 -33.451 1.00 30.18 C ATOM 592 C ARG A 686 -4.051 20.264 -32.487 1.00 35.46 C ATOM 593 O ARG A 686 -4.364 21.132 -31.652 1.00 34.12 O ATOM 594 CB ARG A 686 -6.140 18.850 -32.675 1.00 23.36 C ATOM 595 CG ARG A 686 -7.164 18.153 -33.585 1.00 39.41 C ATOM 596 CD ARG A 686 -8.529 17.869 -32.942 1.00 34.59 C ATOM 597 NE ARG A 686 -9.484 17.517 -33.982 1.00 42.03 N ATOM 598 CZ ARG A 686 -9.807 16.278 -34.345 1.00 40.26 C ATOM 599 NH1 ARG A 686 -9.280 15.229 -33.727 1.00 35.65 N ATOM 600 NH2 ARG A 686 -10.681 16.093 -35.324 1.00 41.27 N ATOM 601 HE ARG A 686 -9.953 18.298 -34.483 1.00 0.00 H ATOM 602 HH12 ARG A 686 -9.542 14.266 -34.021 1.00 0.00 H ATOM 603 HH11 ARG A 686 -8.605 15.369 -32.948 1.00 0.00 H ATOM 604 HH22 ARG A 686 -10.940 15.129 -35.615 1.00 0.00 H ATOM 605 HH21 ARG A 686 -11.108 16.912 -35.801 1.00 0.00 H ATOM 606 H ARG A 686 -4.315 17.870 -34.387 1.00 0.00 H ATOM 607 N TYR A 687 -2.822 19.743 -32.553 1.00 32.44 N ATOM 608 CA TYR A 687 -1.749 20.301 -31.721 1.00 33.22 C ATOM 609 C TYR A 687 -0.770 21.140 -32.536 1.00 32.30 C ATOM 610 O TYR A 687 0.121 20.576 -33.196 1.00 27.26 O ATOM 611 CB TYR A 687 -0.986 19.175 -31.013 1.00 31.82 C ATOM 612 CG TYR A 687 -1.870 18.315 -30.152 1.00 26.99 C ATOM 613 CD1 TYR A 687 -2.637 18.868 -29.132 1.00 21.61 C ATOM 614 CD2 TYR A 687 -1.921 16.948 -30.340 1.00 24.39 C ATOM 615 CE1 TYR A 687 -3.444 18.080 -28.348 1.00 21.33 C ATOM 616 CE2 TYR A 687 -2.722 16.154 -29.545 1.00 28.08 C ATOM 617 CZ TYR A 687 -3.480 16.730 -28.557 1.00 21.03 C ATOM 618 OH TYR A 687 -4.271 15.936 -27.786 1.00 26.59 O ATOM 619 HH TYR A 687 -4.751 16.494 -27.124 1.00 0.00 H ATOM 620 H TYR A 687 -2.627 18.945 -33.191 1.00 0.00 H ATOM 621 N LEU A 688 -0.905 22.465 -32.444 1.00 30.70 N ATOM 622 CA LEU A 688 -0.079 23.413 -33.205 1.00 34.33 C ATOM 623 C LEU A 688 0.996 24.099 -32.354 1.00 34.31 C ATOM 624 O LEU A 688 1.804 24.900 -32.859 1.00 29.58 O ATOM 625 CB LEU A 688 -0.945 24.459 -33.889 1.00 24.98 C ATOM 626 CG LEU A 688 -1.817 23.863 -34.994 1.00 25.21 C ATOM 627 CD1 LEU A 688 -2.599 24.971 -35.632 1.00 30.71 C ATOM 628 CD2 LEU A 688 -0.996 23.123 -36.051 1.00 25.22 C ATOM 629 H LEU A 688 -1.630 22.845 -31.802 1.00 0.00 H ATOM 630 N ASN A 689 0.980 23.777 -31.063 1.00 29.41 N ATOM 631 CA ASN A 689 1.964 24.263 -30.105 1.00 32.00 C ATOM 632 C ASN A 689 2.102 23.183 -29.038 1.00 31.97 C ATOM 633 O ASN A 689 1.310 22.239 -29.000 1.00 28.59 O ATOM 634 CB ASN A 689 1.518 25.599 -29.484 1.00 28.14 C ATOM 635 CG ASN A 689 0.150 25.491 -28.786 1.00 34.88 C ATOM 636 OD1 ASN A 689 0.043 24.998 -27.659 1.00 29.16 O ATOM 637 ND2 ASN A 689 -0.901 25.878 -29.494 1.00 25.18 N ATOM 638 HD22 ASN A 689 -0.768 26.289 -30.440 1.00 0.00 H ATOM 639 HD21 ASN A 689 -1.859 25.771 -29.104 1.00 0.00 H ATOM 640 H ASN A 689 0.227 23.147 -30.721 1.00 0.00 H ATOM 641 N PHE A 690 3.114 23.293 -28.189 1.00 30.63 N ATOM 642 CA PHE A 690 3.364 22.228 -27.226 1.00 28.77 C ATOM 643 C PHE A 690 2.389 22.289 -26.052 1.00 23.44 C ATOM 644 O PHE A 690 2.049 21.268 -25.451 1.00 22.98 O ATOM 645 CB PHE A 690 4.796 22.301 -26.707 1.00 26.36 C ATOM 646 CG PHE A 690 5.226 21.078 -25.949 1.00 26.72 C ATOM 647 CD1 PHE A 690 5.689 19.960 -26.628 1.00 30.52 C ATOM 648 CD2 PHE A 690 5.174 21.043 -24.559 1.00 31.49 C ATOM 649 CE1 PHE A 690 6.096 18.825 -25.932 1.00 33.25 C ATOM 650 CE2 PHE A 690 5.582 19.919 -23.859 1.00 32.39 C ATOM 651 CZ PHE A 690 6.051 18.810 -24.545 1.00 32.16 C ATOM 652 H PHE A 690 3.726 24.134 -28.210 1.00 0.00 H ATOM 653 N ASP A 691 1.963 23.500 -25.720 1.00 24.09 N ATOM 654 CA ASP A 691 1.180 23.711 -24.516 1.00 26.41 C ATOM 655 C ASP A 691 -0.171 22.969 -24.596 1.00 31.11 C ATOM 656 O ASP A 691 -0.613 22.372 -23.594 1.00 28.24 O ATOM 657 CB ASP A 691 0.980 25.218 -24.286 1.00 28.26 C ATOM 658 CG ASP A 691 2.280 25.937 -23.851 1.00 36.00 C ATOM 659 OD1 ASP A 691 3.122 25.320 -23.173 1.00 40.77 O ATOM 660 OD2 ASP A 691 2.472 27.120 -24.194 1.00 39.84 O ATOM 661 H ASP A 691 2.193 24.310 -26.331 1.00 0.00 H ATOM 662 N ASP A 692 -0.766 22.919 -25.793 1.00 23.46 N ATOM 663 CA ASP A 692 -2.030 22.203 -25.992 1.00 23.04 C ATOM 664 C ASP A 692 -1.847 20.702 -25.873 1.00 27.80 C ATOM 665 O ASP A 692 -2.742 19.995 -25.397 1.00 21.97 O ATOM 666 CB ASP A 692 -2.659 22.548 -27.343 1.00 30.25 C ATOM 667 CG ASP A 692 -3.146 23.972 -27.396 1.00 33.95 C ATOM 668 OD1 ASP A 692 -3.504 24.516 -26.324 1.00 31.27 O ATOM 669 OD2 ASP A 692 -3.171 24.548 -28.507 1.00 40.45 O ATOM 670 H ASP A 692 -0.322 23.399 -26.601 1.00 0.00 H ATOM 671 N PHE A 693 -0.698 20.217 -26.347 1.00 29.87 N ATOM 672 CA PHE A 693 -0.324 18.812 -26.200 1.00 24.97 C ATOM 673 C PHE A 693 -0.194 18.500 -24.705 1.00 21.57 C ATOM 674 O PHE A 693 -0.713 17.505 -24.223 1.00 21.79 O ATOM 675 CB PHE A 693 0.973 18.507 -26.939 1.00 27.48 C ATOM 676 CG PHE A 693 1.371 17.064 -26.895 1.00 27.93 C ATOM 677 CD1 PHE A 693 0.895 16.188 -27.862 1.00 21.22 C ATOM 678 CD2 PHE A 693 2.213 16.585 -25.906 1.00 30.32 C ATOM 679 CE1 PHE A 693 1.226 14.865 -27.843 1.00 26.93 C ATOM 680 CE2 PHE A 693 2.570 15.246 -25.874 1.00 36.61 C ATOM 681 CZ PHE A 693 2.073 14.381 -26.851 1.00 39.60 C ATOM 682 H PHE A 693 -0.046 20.861 -26.838 1.00 0.00 H ATOM 683 N GLU A 694 0.523 19.348 -23.987 1.00 22.13 N ATOM 684 CA GLU A 694 0.725 19.146 -22.551 1.00 30.15 C ATOM 685 C GLU A 694 -0.593 19.242 -21.790 1.00 34.15 C ATOM 686 O GLU A 694 -0.846 18.466 -20.884 1.00 22.48 O ATOM 687 CB GLU A 694 1.695 20.175 -21.984 1.00 29.22 C ATOM 688 CG GLU A 694 1.740 20.199 -20.449 1.00 33.41 C ATOM 689 CD GLU A 694 2.941 20.964 -19.912 1.00 36.48 C ATOM 690 OE1 GLU A 694 3.999 20.944 -20.562 1.00 35.13 O ATOM 691 OE2 GLU A 694 2.812 21.615 -18.855 1.00 45.98 O ATOM 692 H GLU A 694 0.952 20.174 -24.451 1.00 0.00 H ATOM 693 N GLU A 695 -1.439 20.191 -22.185 1.00 33.54 N ATOM 694 CA GLU A 695 -2.756 20.322 -21.573 1.00 30.83 C ATOM 695 C GLU A 695 -3.595 19.055 -21.741 1.00 27.96 C ATOM 696 O GLU A 695 -4.247 18.616 -20.796 1.00 27.71 O ATOM 697 CB GLU A 695 -3.530 21.487 -22.188 1.00 33.94 C ATOM 698 CG GLU A 695 -4.902 21.676 -21.562 1.00 43.06 C ATOM 699 CD GLU A 695 -5.681 22.832 -22.166 1.00 50.95 C ATOM 700 OE1 GLU A 695 -5.126 23.944 -22.238 1.00 56.51 O ATOM 701 OE2 GLU A 695 -6.846 22.620 -22.574 1.00 50.16 O ATOM 702 H GLU A 695 -1.157 20.848 -22.940 1.00 0.00 H ATOM 703 N ASP A 696 -3.554 18.446 -22.921 1.00 21.73 N ATOM 704 CA ASP A 696 -4.315 17.229 -23.104 1.00 26.07 C ATOM 705 C ASP A 696 -3.731 16.059 -22.298 1.00 29.88 C ATOM 706 O ASP A 696 -4.481 15.222 -21.781 1.00 29.26 O ATOM 707 CB ASP A 696 -4.463 16.898 -24.588 1.00 28.39 C ATOM 708 CG ASP A 696 -5.681 17.621 -25.214 1.00 31.07 C ATOM 709 OD1 ASP A 696 -6.339 18.410 -24.488 1.00 21.92 O ATOM 710 OD2 ASP A 696 -6.005 17.380 -26.397 1.00 30.19 O ATOM 711 H ASP A 696 -2.985 18.837 -23.699 1.00 0.00 H ATOM 712 N PHE A 697 -2.411 15.980 -22.183 1.00 27.98 N ATOM 713 CA PHE A 697 -1.850 14.976 -21.285 1.00 30.43 C ATOM 714 C PHE A 697 -2.347 15.162 -19.848 1.00 30.12 C ATOM 715 O PHE A 697 -2.789 14.210 -19.203 1.00 37.90 O ATOM 716 CB PHE A 697 -0.316 14.988 -21.288 1.00 30.42 C ATOM 717 CG PHE A 697 0.265 14.104 -20.232 1.00 28.56 C ATOM 718 CD1 PHE A 697 0.346 12.741 -20.438 1.00 24.13 C ATOM 719 CD2 PHE A 697 0.667 14.622 -19.010 1.00 32.11 C ATOM 720 CE1 PHE A 697 0.833 11.909 -19.455 1.00 26.29 C ATOM 721 CE2 PHE A 697 1.182 13.794 -18.019 1.00 32.65 C ATOM 722 CZ PHE A 697 1.266 12.438 -18.245 1.00 31.51 C ATOM 723 H PHE A 697 -1.791 16.619 -22.721 1.00 0.00 H ATOM 724 N ASN A 698 -2.274 16.388 -19.352 1.00 25.52 N ATOM 725 CA ASN A 698 -2.700 16.688 -17.988 1.00 23.40 C ATOM 726 C ASN A 698 -4.160 16.351 -17.705 1.00 22.75 C ATOM 727 O ASN A 698 -4.514 16.018 -16.580 1.00 23.21 O ATOM 728 CB ASN A 698 -2.459 18.169 -17.665 1.00 25.84 C ATOM 729 CG ASN A 698 -0.999 18.484 -17.408 1.00 33.48 C ATOM 730 OD1 ASN A 698 -0.233 17.634 -16.940 1.00 38.24 O ATOM 731 ND2 ASN A 698 -0.606 19.705 -17.713 1.00 35.71 N ATOM 732 HD22 ASN A 698 -1.286 20.388 -18.105 1.00 0.00 H ATOM 733 HD21 ASN A 698 0.384 19.986 -17.562 1.00 0.00 H ATOM 734 H ASN A 698 -1.904 17.156 -19.949 1.00 0.00 H ATOM 735 N LEU A 699 -4.996 16.457 -18.737 1.00 27.48 N ATOM 736 CA LEU A 699 -6.417 16.163 -18.622 1.00 26.03 C ATOM 737 C LEU A 699 -6.579 14.697 -18.272 1.00 31.01 C ATOM 738 O LEU A 699 -7.406 14.334 -17.430 1.00 22.36 O ATOM 739 CB LEU A 699 -7.148 16.471 -19.933 1.00 31.88 C ATOM 740 CG LEU A 699 -7.507 17.937 -20.214 1.00 31.34 C ATOM 741 CD1 LEU A 699 -8.337 18.026 -21.487 1.00 29.82 C ATOM 742 CD2 LEU A 699 -8.189 18.646 -19.020 1.00 31.43 C ATOM 743 H LEU A 699 -4.620 16.761 -19.658 1.00 0.00 H ATOM 744 N ILE A 700 -5.757 13.865 -18.914 1.00 31.16 N ATOM 745 CA ILE A 700 -5.784 12.427 -18.682 1.00 32.27 C ATOM 746 C ILE A 700 -5.555 12.156 -17.202 1.00 37.25 C ATOM 747 O ILE A 700 -6.274 11.365 -16.603 1.00 40.45 O ATOM 748 CB ILE A 700 -4.724 11.670 -19.493 1.00 26.92 C ATOM 749 CG1 ILE A 700 -4.914 11.869 -21.002 1.00 26.75 C ATOM 750 CG2 ILE A 700 -4.769 10.197 -19.150 1.00 22.74 C ATOM 751 CD1 ILE A 700 -3.808 11.231 -21.843 1.00 22.37 C ATOM 752 H ILE A 700 -5.078 14.254 -19.599 1.00 0.00 H ATOM 753 N VAL A 701 -4.579 12.850 -16.615 1.00 35.82 N ATOM 754 CA VAL A 701 -4.232 12.655 -15.211 1.00 32.68 C ATOM 755 C VAL A 701 -5.278 13.263 -14.301 1.00 26.91 C ATOM 756 O VAL A 701 -5.768 12.610 -13.383 1.00 31.40 O ATOM 757 CB VAL A 701 -2.859 13.272 -14.868 1.00 35.64 C ATOM 758 CG1 VAL A 701 -2.655 13.329 -13.349 1.00 24.53 C ATOM 759 CG2 VAL A 701 -1.746 12.495 -15.561 1.00 27.73 C ATOM 760 H VAL A 701 -4.050 13.550 -17.174 1.00 0.00 H ATOM 761 N SER A 702 -5.624 14.516 -14.554 1.00 30.32 N ATOM 762 CA SER A 702 -6.571 15.228 -13.710 1.00 27.00 C ATOM 763 C SER A 702 -7.992 14.621 -13.802 1.00 34.33 C ATOM 764 O SER A 702 -8.732 14.634 -12.812 1.00 29.50 O ATOM 765 CB SER A 702 -6.596 16.714 -14.074 1.00 32.76 C ATOM 766 OG SER A 702 -6.990 16.930 -15.420 1.00 42.78 O ATOM 767 HG SER A 702 -6.353 16.475 -16.026 1.00 0.00 H ATOM 768 H SER A 702 -5.209 15.002 -15.375 1.00 0.00 H ATOM 769 N ASN A 703 -8.390 14.111 -14.972 1.00 23.75 N ATOM 770 CA ASN A 703 -9.703 13.470 -15.069 1.00 41.36 C ATOM 771 C ASN A 703 -9.762 12.248 -14.170 1.00 37.00 C ATOM 772 O ASN A 703 -10.744 12.041 -13.448 1.00 31.72 O ATOM 773 CB ASN A 703 -10.051 13.073 -16.512 1.00 35.73 C ATOM 774 CG ASN A 703 -10.344 14.276 -17.397 1.00 39.65 C ATOM 775 OD1 ASN A 703 -10.551 15.389 -16.902 1.00 39.66 O ATOM 776 ND2 ASN A 703 -10.372 14.058 -18.711 1.00 37.14 N ATOM 777 HD22 ASN A 703 -10.192 13.104 -19.084 1.00 0.00 H ATOM 778 HD21 ASN A 703 -10.574 14.842 -19.364 1.00 0.00 H ATOM 779 H ASN A 703 -7.772 14.169 -15.807 1.00 0.00 H ATOM 780 N CYS A 704 -8.701 11.444 -14.229 1.00 30.93 N ATOM 781 CA CYS A 704 -8.636 10.201 -13.478 1.00 34.40 C ATOM 782 C CYS A 704 -8.575 10.412 -11.959 1.00 41.23 C ATOM 783 O CYS A 704 -9.200 9.666 -11.204 1.00 44.64 O ATOM 784 CB CYS A 704 -7.445 9.372 -13.926 1.00 31.46 C ATOM 785 SG CYS A 704 -7.375 7.830 -13.029 1.00 39.10 S ATOM 786 H CYS A 704 -7.896 11.714 -14.830 1.00 0.00 H ATOM 787 N LEU A 705 -7.835 11.422 -11.511 1.00 24.99 N ATOM 788 CA LEU A 705 -7.784 11.716 -10.084 1.00 38.25 C ATOM 789 C LEU A 705 -9.150 12.199 -9.590 1.00 35.85 C ATOM 790 O LEU A 705 -9.552 11.893 -8.469 1.00 31.48 O ATOM 791 CB LEU A 705 -6.706 12.761 -9.768 1.00 30.21 C ATOM 792 CG LEU A 705 -5.258 12.402 -10.130 1.00 35.66 C ATOM 793 CD1 LEU A 705 -4.339 13.580 -9.869 1.00 27.27 C ATOM 794 CD2 LEU A 705 -4.773 11.175 -9.370 1.00 34.44 C ATOM 795 H LEU A 705 -7.291 12.004 -12.180 1.00 0.00 H ATOM 796 N LYS A 706 -9.844 12.963 -10.429 1.00 36.03 N ATOM 797 CA LYS A 706 -11.138 13.546 -10.078 1.00 41.05 C ATOM 798 C LYS A 706 -12.257 12.498 -9.981 1.00 44.93 C ATOM 799 O LYS A 706 -13.128 12.590 -9.119 1.00 45.29 O ATOM 800 CB LYS A 706 -11.502 14.645 -11.082 1.00 36.91 C ATOM 801 CG LYS A 706 -12.795 15.404 -10.788 1.00 44.37 C ATOM 802 CD LYS A 706 -12.898 16.659 -11.663 1.00 50.44 C ATOM 803 CE LYS A 706 -14.143 17.507 -11.350 1.00 57.16 C ATOM 804 NZ LYS A 706 -15.430 16.822 -11.672 1.00 56.28 N ATOM 805 HZ1 LYS A 706 -15.456 16.594 -12.686 1.00 0.00 H ATOM 806 HZ2 LYS A 706 -15.503 15.946 -11.117 1.00 0.00 H ATOM 807 HZ3 LYS A 706 -16.224 17.451 -11.436 1.00 0.00 H ATOM 808 H LYS A 706 -9.450 13.153 -11.373 1.00 0.00 H ATOM 809 N TYR A 707 -12.228 11.500 -10.855 1.00 44.95 N ATOM 810 CA TYR A 707 -13.307 10.512 -10.901 1.00 42.53 C ATOM 811 C TYR A 707 -13.150 9.394 -9.874 1.00 41.02 C ATOM 812 O TYR A 707 -14.091 9.076 -9.144 1.00 44.97 O ATOM 813 CB TYR A 707 -13.397 9.872 -12.285 1.00 35.34 C ATOM 814 CG TYR A 707 -14.493 8.838 -12.391 1.00 32.16 C ATOM 815 CD1 TYR A 707 -15.833 9.214 -12.470 1.00 33.76 C ATOM 816 CD2 TYR A 707 -14.192 7.484 -12.364 1.00 34.53 C ATOM 817 CE1 TYR A 707 -16.843 8.257 -12.560 1.00 35.71 C ATOM 818 CE2 TYR A 707 -15.189 6.523 -12.449 1.00 40.59 C ATOM 819 CZ TYR A 707 -16.511 6.913 -12.547 1.00 39.23 C ATOM 820 OH TYR A 707 -17.496 5.955 -12.639 1.00 40.68 O ATOM 821 HH TYR A 707 -18.380 6.397 -12.702 1.00 0.00 H ATOM 822 H TYR A 707 -11.429 11.419 -11.515 1.00 0.00 H ATOM 823 N ASN A 708 -11.966 8.793 -9.821 1.00 33.87 N ATOM 824 CA ASN A 708 -11.793 7.639 -8.971 1.00 33.91 C ATOM 825 C ASN A 708 -11.459 8.015 -7.537 1.00 37.67 C ATOM 826 O ASN A 708 -10.802 9.024 -7.258 1.00 31.63 O ATOM 827 CB ASN A 708 -10.718 6.729 -9.534 1.00 37.33 C ATOM 828 CG ASN A 708 -11.064 6.228 -10.910 1.00 43.08 C ATOM 829 OD1 ASN A 708 -11.722 5.193 -11.067 1.00 44.88 O ATOM 830 ND2 ASN A 708 -10.645 6.982 -11.929 1.00 44.02 N ATOM 831 HD22 ASN A 708 -10.094 7.845 -11.745 1.00 0.00 H ATOM 832 HD21 ASN A 708 -10.870 6.707 -12.906 1.00 0.00 H ATOM 833 H ASN A 708 -11.171 9.151 -10.387 1.00 0.00 H ATOM 834 N ALA A 709 -11.964 7.203 -6.623 1.00 37.06 N ATOM 835 CA ALA A 709 -11.642 7.355 -5.228 1.00 39.12 C ATOM 836 C ALA A 709 -10.154 7.017 -5.003 1.00 38.41 C ATOM 837 O ALA A 709 -9.541 6.277 -5.784 1.00 41.32 O ATOM 838 CB ALA A 709 -12.564 6.467 -4.372 1.00 37.53 C ATOM 839 H ALA A 709 -12.606 6.440 -6.918 1.00 0.00 H ATOM 840 N LYS A 710 -9.578 7.582 -3.952 1.00 36.81 N ATOM 841 CA LYS A 710 -8.142 7.469 -3.696 1.00 44.19 C ATOM 842 C LYS A 710 -7.631 6.012 -3.634 1.00 51.45 C ATOM 843 O LYS A 710 -6.470 5.752 -3.972 1.00 53.24 O ATOM 844 CB LYS A 710 -7.781 8.193 -2.397 1.00 33.27 C ATOM 845 CG LYS A 710 -7.772 9.699 -2.513 1.00 33.66 C ATOM 846 CD LYS A 710 -7.336 10.381 -1.206 1.00 40.99 C ATOM 847 CE LYS A 710 -5.889 10.105 -0.833 1.00 36.36 C ATOM 848 NZ LYS A 710 -5.456 10.921 0.347 1.00 38.58 N ATOM 849 HZ1 LYS A 710 -5.550 11.932 0.121 1.00 0.00 H ATOM 850 HZ2 LYS A 710 -6.055 10.691 1.165 1.00 0.00 H ATOM 851 HZ3 LYS A 710 -4.464 10.705 0.571 1.00 0.00 H ATOM 852 H LYS A 710 -10.166 8.124 -3.287 1.00 0.00 H ATOM 853 N ASP A 711 -8.492 5.064 -3.255 1.00 51.05 N ATOM 854 CA ASP A 711 -8.049 3.691 -3.014 1.00 54.47 C ATOM 855 C ASP A 711 -8.405 2.812 -4.211 1.00 51.38 C ATOM 856 O ASP A 711 -8.785 1.648 -4.072 1.00 56.82 O ATOM 857 CB ASP A 711 -8.723 3.165 -1.732 1.00 62.91 C ATOM 858 CG ASP A 711 -8.226 1.777 -1.288 1.00 75.49 C ATOM 859 OD1 ASP A 711 -7.394 1.137 -1.973 1.00 76.20 O ATOM 860 OD2 ASP A 711 -8.698 1.318 -0.224 1.00 81.45 O ATOM 861 H ASP A 711 -9.495 5.306 -3.129 1.00 0.00 H ATOM 862 N THR A 712 -8.244 3.375 -5.402 1.00 46.18 N ATOM 863 CA THR A 712 -8.475 2.633 -6.635 1.00 43.94 C ATOM 864 C THR A 712 -7.201 2.349 -7.414 1.00 41.47 C ATOM 865 O THR A 712 -6.237 3.100 -7.321 1.00 41.75 O ATOM 866 CB THR A 712 -9.461 3.386 -7.516 1.00 50.85 C ATOM 867 OG1 THR A 712 -8.943 4.700 -7.756 1.00 52.58 O ATOM 868 CG2 THR A 712 -10.813 3.502 -6.801 1.00 27.94 C ATOM 869 HG1 THR A 712 -8.831 5.172 -6.893 1.00 0.00 H ATOM 870 H THR A 712 -7.946 4.370 -5.457 1.00 0.00 H ATOM 871 N ILE A 713 -7.194 1.262 -8.179 1.00 41.09 N ATOM 872 CA ILE A 713 -6.096 0.997 -9.115 1.00 41.77 C ATOM 873 C ILE A 713 -5.892 2.192 -10.060 1.00 39.78 C ATOM 874 O ILE A 713 -4.761 2.603 -10.334 1.00 35.70 O ATOM 875 CB ILE A 713 -6.342 -0.309 -9.928 1.00 40.27 C ATOM 876 CG1 ILE A 713 -5.144 -0.632 -10.817 1.00 42.49 C ATOM 877 CG2 ILE A 713 -7.613 -0.212 -10.777 1.00 42.97 C ATOM 878 CD1 ILE A 713 -3.900 -1.052 -10.038 1.00 46.20 C ATOM 879 H ILE A 713 -7.982 0.587 -8.113 1.00 0.00 H ATOM 880 N PHE A 714 -6.995 2.791 -10.499 1.00 43.72 N ATOM 881 CA PHE A 714 -6.935 3.871 -11.475 1.00 46.10 C ATOM 882 C PHE A 714 -6.274 5.122 -10.892 1.00 46.79 C ATOM 883 O PHE A 714 -5.356 5.687 -11.497 1.00 46.78 O ATOM 884 CB PHE A 714 -8.337 4.211 -11.965 1.00 42.32 C ATOM 885 CG PHE A 714 -9.094 3.026 -12.482 1.00 43.74 C ATOM 886 CD1 PHE A 714 -8.707 2.391 -13.652 1.00 41.66 C ATOM 887 CD2 PHE A 714 -10.184 2.539 -11.785 1.00 41.93 C ATOM 888 CE1 PHE A 714 -9.393 1.294 -14.122 1.00 41.07 C ATOM 889 CE2 PHE A 714 -10.879 1.444 -12.251 1.00 45.77 C ATOM 890 CZ PHE A 714 -10.481 0.816 -13.426 1.00 45.29 C ATOM 891 H PHE A 714 -7.920 2.482 -10.138 1.00 0.00 H ATOM 892 N TYR A 715 -6.736 5.537 -9.715 1.00 45.03 N ATOM 893 CA TYR A 715 -6.211 6.726 -9.049 1.00 38.41 C ATOM 894 C TYR A 715 -4.699 6.667 -8.789 1.00 37.13 C ATOM 895 O TYR A 715 -3.979 7.627 -9.050 1.00 32.10 O ATOM 896 CB TYR A 715 -6.954 6.948 -7.719 1.00 31.39 C ATOM 897 CG TYR A 715 -6.617 8.247 -6.999 1.00 31.36 C ATOM 898 CD1 TYR A 715 -5.475 8.352 -6.208 1.00 30.72 C ATOM 899 CD2 TYR A 715 -7.434 9.360 -7.113 1.00 33.33 C ATOM 900 CE1 TYR A 715 -5.164 9.518 -5.557 1.00 30.22 C ATOM 901 CE2 TYR A 715 -7.133 10.530 -6.456 1.00 30.94 C ATOM 902 CZ TYR A 715 -5.994 10.601 -5.680 1.00 31.79 C ATOM 903 OH TYR A 715 -5.687 11.762 -5.008 1.00 31.57 O ATOM 904 HH TYR A 715 -4.843 11.638 -4.505 1.00 0.00 H ATOM 905 H TYR A 715 -7.496 4.997 -9.254 1.00 0.00 H ATOM 906 N ARG A 716 -4.252 5.549 -8.230 1.00 37.29 N ATOM 907 CA ARG A 716 -2.856 5.343 -7.867 1.00 41.99 C ATOM 908 C ARG A 716 -1.943 5.287 -9.082 1.00 45.87 C ATOM 909 O ARG A 716 -0.816 5.792 -9.043 1.00 47.07 O ATOM 910 CB ARG A 716 -2.736 4.085 -7.004 1.00 40.02 C ATOM 911 CG ARG A 716 -3.440 4.259 -5.624 1.00 43.10 C ATOM 912 CD ARG A 716 -3.083 3.140 -4.659 1.00 49.86 C ATOM 913 NE ARG A 716 -3.388 1.832 -5.231 1.00 52.25 N ATOM 914 CZ ARG A 716 -4.505 1.152 -4.992 1.00 49.06 C ATOM 915 NH1 ARG A 716 -4.694 -0.025 -5.564 1.00 50.95 N ATOM 916 NH2 ARG A 716 -5.412 1.625 -4.147 1.00 41.94 N ATOM 917 HE ARG A 716 -2.685 1.404 -5.867 1.00 0.00 H ATOM 918 HH12 ARG A 716 -5.567 -0.559 -5.379 1.00 0.00 H ATOM 919 HH11 ARG A 716 -3.970 -0.417 -6.199 1.00 0.00 H ATOM 920 HH22 ARG A 716 -6.283 1.087 -3.965 1.00 0.00 H ATOM 921 HH21 ARG A 716 -5.251 2.533 -3.667 1.00 0.00 H ATOM 922 H ARG A 716 -4.931 4.784 -8.042 1.00 0.00 H ATOM 923 N ALA A 717 -2.435 4.678 -10.161 1.00 46.99 N ATOM 924 CA ALA A 717 -1.684 4.597 -11.419 1.00 36.00 C ATOM 925 C ALA A 717 -1.602 5.989 -12.072 1.00 31.75 C ATOM 926 O ALA A 717 -0.688 6.292 -12.839 1.00 33.09 O ATOM 927 CB ALA A 717 -2.319 3.598 -12.350 1.00 25.56 C ATOM 928 H ALA A 717 -3.380 4.247 -10.110 1.00 0.00 H ATOM 929 N ALA A 718 -2.584 6.821 -11.769 1.00 25.09 N ATOM 930 CA ALA A 718 -2.619 8.186 -12.248 1.00 24.65 C ATOM 931 C ALA A 718 -1.634 9.075 -11.484 1.00 33.61 C ATOM 932 O ALA A 718 -0.980 9.946 -12.077 1.00 37.26 O ATOM 933 CB ALA A 718 -4.034 8.746 -12.142 1.00 24.32 C ATOM 934 H ALA A 718 -3.359 6.482 -11.164 1.00 0.00 H ATOM 935 N VAL A 719 -1.573 8.879 -10.165 1.00 32.08 N ATOM 936 CA VAL A 719 -0.612 9.581 -9.318 1.00 31.72 C ATOM 937 C VAL A 719 0.772 9.328 -9.877 1.00 31.09 C ATOM 938 O VAL A 719 1.562 10.256 -10.043 1.00 34.29 O ATOM 939 CB VAL A 719 -0.661 9.128 -7.839 1.00 34.16 C ATOM 940 CG1 VAL A 719 0.472 9.783 -7.045 1.00 30.79 C ATOM 941 CG2 VAL A 719 -2.002 9.474 -7.203 1.00 32.00 C ATOM 942 H VAL A 719 -2.231 8.204 -9.726 1.00 0.00 H ATOM 943 N ARG A 720 1.031 8.067 -10.205 1.00 28.45 N ATOM 944 CA ARG A 720 2.338 7.663 -10.676 1.00 36.82 C ATOM 945 C ARG A 720 2.580 8.116 -12.104 1.00 40.73 C ATOM 946 O ARG A 720 3.727 8.361 -12.481 1.00 47.42 O ATOM 947 CB ARG A 720 2.486 6.152 -10.559 1.00 52.24 C ATOM 948 CG ARG A 720 3.867 5.614 -10.887 1.00 68.31 C ATOM 949 CD ARG A 720 3.897 4.107 -10.700 1.00 79.66 C ATOM 950 NE ARG A 720 3.672 3.730 -9.306 1.00 86.99 N ATOM 951 CZ ARG A 720 4.632 3.699 -8.386 1.00 91.91 C ATOM 952 NH1 ARG A 720 4.357 3.342 -7.134 1.00 94.58 N ATOM 953 NH2 ARG A 720 5.873 4.031 -8.722 1.00 89.89 N ATOM 954 HE ARG A 720 2.707 3.471 -9.017 1.00 0.00 H ATOM 955 HH12 ARG A 720 5.114 3.321 -6.421 1.00 0.00 H ATOM 956 HH11 ARG A 720 3.385 3.084 -6.868 1.00 0.00 H ATOM 957 HH22 ARG A 720 6.629 4.009 -8.008 1.00 0.00 H ATOM 958 HH21 ARG A 720 6.089 4.313 -9.699 1.00 0.00 H ATOM 959 H ARG A 720 0.278 7.355 -10.121 1.00 0.00 H ATOM 960 N LEU A 721 1.509 8.287 -12.882 1.00 30.81 N ATOM 961 CA LEU A 721 1.660 8.776 -14.249 1.00 25.29 C ATOM 962 C LEU A 721 2.016 10.255 -14.262 1.00 25.37 C ATOM 963 O LEU A 721 2.853 10.689 -15.054 1.00 28.53 O ATOM 964 CB LEU A 721 0.392 8.531 -15.067 1.00 37.77 C ATOM 965 CG LEU A 721 0.460 8.869 -16.561 1.00 39.15 C ATOM 966 CD1 LEU A 721 1.530 8.030 -17.262 1.00 23.79 C ATOM 967 CD2 LEU A 721 -0.936 8.725 -17.247 1.00 22.47 C ATOM 968 H LEU A 721 0.561 8.071 -12.512 1.00 0.00 H ATOM 969 N ARG A 722 1.387 11.022 -13.377 1.00 25.63 N ATOM 970 CA ARG A 722 1.693 12.442 -13.232 1.00 33.68 C ATOM 971 C ARG A 722 3.184 12.670 -12.950 1.00 38.89 C ATOM 972 O ARG A 722 3.779 13.617 -13.475 1.00 39.54 O ATOM 973 CB ARG A 722 0.844 13.051 -12.110 1.00 34.49 C ATOM 974 CG ARG A 722 1.286 14.419 -11.607 1.00 37.87 C ATOM 975 CD ARG A 722 0.254 14.974 -10.632 1.00 39.15 C ATOM 976 NE ARG A 722 -0.878 15.556 -11.359 1.00 36.72 N ATOM 977 CZ ARG A 722 -1.929 16.149 -10.796 1.00 36.49 C ATOM 978 NH1 ARG A 722 -2.024 16.265 -9.466 1.00 29.42 N ATOM 979 NH2 ARG A 722 -2.905 16.614 -11.570 1.00 29.28 N ATOM 980 HE ARG A 722 -0.859 15.501 -12.397 1.00 0.00 H ATOM 981 HH12 ARG A 722 -2.852 16.731 -9.042 1.00 0.00 H ATOM 982 HH11 ARG A 722 -1.270 15.889 -8.856 1.00 0.00 H ATOM 983 HH22 ARG A 722 -3.731 17.079 -11.142 1.00 0.00 H ATOM 984 HH21 ARG A 722 -2.842 16.513 -12.603 1.00 0.00 H ATOM 985 H ARG A 722 0.656 10.598 -12.771 1.00 0.00 H ATOM 986 N GLU A 723 3.783 11.851 -12.092 1.00 39.48 N ATOM 987 CA GLU A 723 5.190 12.064 -11.775 1.00 44.51 C ATOM 988 C GLU A 723 6.074 11.660 -12.957 1.00 44.93 C ATOM 989 O GLU A 723 6.970 12.406 -13.372 1.00 45.89 O ATOM 990 CB GLU A 723 5.615 11.294 -10.519 1.00 52.43 C ATOM 991 CG GLU A 723 6.723 12.022 -9.716 1.00 79.94 C ATOM 992 CD GLU A 723 8.082 12.068 -10.413 1.00 83.73 C ATOM 993 OE1 GLU A 723 8.435 11.100 -11.111 1.00 92.95 O ATOM 994 OE2 GLU A 723 8.797 13.094 -10.265 1.00 78.87 O ATOM 995 H GLU A 723 3.256 11.069 -11.653 1.00 0.00 H ATOM 996 N GLN A 724 5.801 10.480 -13.508 1.00 41.03 N ATOM 997 CA GLN A 724 6.609 9.951 -14.593 1.00 38.50 C ATOM 998 C GLN A 724 6.369 10.650 -15.914 1.00 32.84 C ATOM 999 O GLN A 724 7.301 10.881 -16.674 1.00 34.30 O ATOM 1000 CB GLN A 724 6.324 8.458 -14.764 1.00 45.27 C ATOM 1001 CG GLN A 724 6.723 7.614 -13.560 1.00 53.59 C ATOM 1002 CD GLN A 724 6.406 6.146 -13.742 1.00 63.55 C ATOM 1003 OE1 GLN A 724 5.724 5.760 -14.693 1.00 63.46 O ATOM 1004 NE2 GLN A 724 6.958 5.310 -12.864 1.00 72.61 N ATOM 1005 HE22 GLN A 724 7.526 5.683 -12.077 1.00 0.00 H ATOM 1006 HE21 GLN A 724 6.821 4.284 -12.966 1.00 0.00 H ATOM 1007 H GLN A 724 4.994 9.926 -13.155 1.00 0.00 H ATOM 1008 N GLY A 725 5.121 11.021 -16.175 1.00 38.93 N ATOM 1009 CA GLY A 725 4.801 11.776 -17.378 1.00 38.46 C ATOM 1010 C GLY A 725 5.442 13.144 -17.325 1.00 37.97 C ATOM 1011 O GLY A 725 5.831 13.704 -18.344 1.00 45.51 O ATOM 1012 H GLY A 725 4.362 10.769 -15.511 1.00 0.00 H ATOM 1013 N GLY A 726 5.562 13.673 -16.115 1.00 40.60 N ATOM 1014 CA GLY A 726 6.122 14.993 -15.897 1.00 39.31 C ATOM 1015 C GLY A 726 7.529 15.062 -16.447 1.00 44.16 C ATOM 1016 O GLY A 726 7.891 15.993 -17.166 1.00 46.31 O ATOM 1017 H GLY A 726 5.243 13.122 -15.293 1.00 0.00 H ATOM 1018 N ALA A 727 8.323 14.058 -16.097 1.00 48.25 N ATOM 1019 CA ALA A 727 9.703 13.947 -16.557 1.00 50.46 C ATOM 1020 C ALA A 727 9.804 13.845 -18.101 1.00 32.80 C ATOM 1021 O ALA A 727 10.590 14.559 -18.737 1.00 29.51 O ATOM 1022 CB ALA A 727 10.371 12.728 -15.867 1.00 31.18 C ATOM 1023 H ALA A 727 7.946 13.320 -15.469 1.00 0.00 H ATOM 1024 N VAL A 728 8.959 13.013 -18.709 1.00 38.22 N ATOM 1025 CA VAL A 728 8.945 12.867 -20.174 1.00 36.48 C ATOM 1026 C VAL A 728 8.680 14.206 -20.888 1.00 37.98 C ATOM 1027 O VAL A 728 9.361 14.565 -21.856 1.00 35.38 O ATOM 1028 CB VAL A 728 7.880 11.842 -20.620 1.00 36.93 C ATOM 1029 CG1 VAL A 728 7.731 11.823 -22.173 1.00 25.76 C ATOM 1030 CG2 VAL A 728 8.183 10.471 -20.049 1.00 27.16 C ATOM 1031 H VAL A 728 8.295 12.454 -18.136 1.00 0.00 H ATOM 1032 N LEU A 729 7.682 14.931 -20.398 1.00 25.99 N ATOM 1033 CA LEU A 729 7.285 16.211 -20.979 1.00 33.14 C ATOM 1034 C LEU A 729 8.297 17.329 -20.797 1.00 37.62 C ATOM 1035 O LEU A 729 8.379 18.256 -21.613 1.00 38.97 O ATOM 1036 CB LEU A 729 5.945 16.652 -20.399 1.00 29.70 C ATOM 1037 CG LEU A 729 4.817 15.801 -20.954 1.00 27.82 C ATOM 1038 CD1 LEU A 729 3.614 15.913 -20.076 1.00 28.09 C ATOM 1039 CD2 LEU A 729 4.529 16.326 -22.338 1.00 28.06 C ATOM 1040 H LEU A 729 7.164 14.575 -19.570 1.00 0.00 H ATOM 1041 N ARG A 730 9.043 17.246 -19.710 1.00 40.60 N ATOM 1042 CA ARG A 730 10.025 18.251 -19.376 1.00 43.55 C ATOM 1043 C ARG A 730 11.118 18.198 -20.424 1.00 41.38 C ATOM 1044 O ARG A 730 11.525 19.223 -20.975 1.00 41.34 O ATOM 1045 CB ARG A 730 10.555 17.996 -17.974 1.00 50.38 C ATOM 1046 CG ARG A 730 11.662 18.884 -17.509 1.00 59.40 C ATOM 1047 CD ARG A 730 11.681 18.841 -15.993 1.00 68.75 C ATOM 1048 NE ARG A 730 10.941 17.693 -15.465 1.00 73.33 N ATOM 1049 CZ ARG A 730 10.475 17.608 -14.220 1.00 74.34 C ATOM 1050 NH1 ARG A 730 10.671 18.605 -13.361 1.00 75.38 N ATOM 1051 NH2 ARG A 730 9.804 16.529 -13.833 1.00 72.63 N ATOM 1052 HE ARG A 730 10.768 16.891 -16.104 1.00 0.00 H ATOM 1053 HH12 ARG A 730 10.305 18.534 -12.390 1.00 0.00 H ATOM 1054 HH11 ARG A 730 11.190 19.455 -13.661 1.00 0.00 H ATOM 1055 HH22 ARG A 730 9.441 16.464 -12.861 1.00 0.00 H ATOM 1056 HH21 ARG A 730 9.642 15.750 -14.502 1.00 0.00 H ATOM 1057 H ARG A 730 8.919 16.432 -19.075 1.00 0.00 H ATOM 1058 N GLN A 731 11.557 16.988 -20.733 1.00 35.14 N ATOM 1059 CA GLN A 731 12.550 16.830 -21.773 1.00 37.59 C ATOM 1060 C GLN A 731 11.999 17.184 -23.155 1.00 39.62 C ATOM 1061 O GLN A 731 12.676 17.867 -23.931 1.00 46.64 O ATOM 1062 CB GLN A 731 13.109 15.398 -21.732 1.00 41.57 C ATOM 1063 CG GLN A 731 13.759 14.843 -23.034 1.00 78.37 C ATOM 1064 CD GLN A 731 14.938 15.641 -23.595 1.00 75.33 C ATOM 1065 OE1 GLN A 731 15.228 15.570 -24.795 1.00 66.57 O ATOM 1066 NE2 GLN A 731 15.603 16.409 -22.743 1.00 77.38 N ATOM 1067 HE22 GLN A 731 15.324 16.438 -21.742 1.00 0.00 H ATOM 1068 HE21 GLN A 731 16.404 16.983 -23.076 1.00 0.00 H ATOM 1069 H GLN A 731 11.190 16.155 -20.230 1.00 0.00 H ATOM 1070 N ALA A 732 10.770 16.793 -23.467 1.00 27.63 N ATOM 1071 CA ALA A 732 10.250 17.099 -24.808 1.00 32.09 C ATOM 1072 C ALA A 732 10.035 18.607 -24.999 1.00 34.95 C ATOM 1073 O ALA A 732 10.273 19.138 -26.087 1.00 38.60 O ATOM 1074 CB ALA A 732 8.934 16.339 -25.082 1.00 29.39 C ATOM 1075 H ALA A 732 10.186 16.280 -22.776 1.00 0.00 H ATOM 1076 N ARG A 733 9.561 19.291 -23.957 1.00 37.39 N ATOM 1077 CA ARG A 733 9.421 20.746 -24.013 1.00 38.58 C ATOM 1078 C ARG A 733 10.762 21.447 -24.341 1.00 43.21 C ATOM 1079 O ARG A 733 10.778 22.399 -25.134 1.00 49.65 O ATOM 1080 CB ARG A 733 8.810 21.309 -22.705 1.00 35.63 C ATOM 1081 CG ARG A 733 8.900 22.847 -22.620 1.00 31.54 C ATOM 1082 CD ARG A 733 8.062 23.508 -21.523 1.00 28.21 C ATOM 1083 NE ARG A 733 6.685 23.009 -21.480 1.00 28.93 N ATOM 1084 CZ ARG A 733 5.635 23.615 -22.056 1.00 35.76 C ATOM 1085 NH1 ARG A 733 5.782 24.737 -22.757 1.00 36.32 N ATOM 1086 NH2 ARG A 733 4.426 23.078 -21.966 1.00 35.14 N ATOM 1087 HE ARG A 733 6.509 22.122 -20.967 1.00 0.00 H ATOM 1088 HH12 ARG A 733 4.954 25.189 -23.195 1.00 0.00 H ATOM 1089 HH11 ARG A 733 6.725 25.162 -22.867 1.00 0.00 H ATOM 1090 HH22 ARG A 733 3.613 23.549 -22.413 1.00 0.00 H ATOM 1091 HH21 ARG A 733 4.290 22.186 -21.449 1.00 0.00 H ATOM 1092 H ARG A 733 9.287 18.783 -23.092 1.00 0.00 H ATOM 1093 N ARG A 734 11.874 20.991 -23.758 1.00 37.59 N ATOM 1094 CA ARG A 734 13.179 21.588 -24.088 1.00 41.09 C ATOM 1095 C ARG A 734 13.528 21.455 -25.558 1.00 40.54 C ATOM 1096 O ARG A 734 14.149 22.345 -26.150 1.00 39.84 O ATOM 1097 CB ARG A 734 14.306 20.979 -23.251 1.00 45.93 C ATOM 1098 CG ARG A 734 14.551 21.686 -21.944 1.00 54.16 C ATOM 1099 CD ARG A 734 15.834 21.184 -21.293 1.00 62.76 C ATOM 1100 NE ARG A 734 15.723 19.773 -20.937 1.00 63.31 N ATOM 1101 CZ ARG A 734 15.142 19.343 -19.824 1.00 62.58 C ATOM 1102 NH1 ARG A 734 15.070 18.042 -19.562 1.00 63.86 N ATOM 1103 NH2 ARG A 734 14.632 20.224 -18.971 1.00 63.19 N ATOM 1104 HE ARG A 734 16.120 19.067 -21.590 1.00 0.00 H ATOM 1105 HH12 ARG A 734 14.613 17.712 -18.688 1.00 0.00 H ATOM 1106 HH11 ARG A 734 15.470 17.354 -20.231 1.00 0.00 H ATOM 1107 HH22 ARG A 734 14.175 19.896 -18.096 1.00 0.00 H ATOM 1108 HH21 ARG A 734 14.690 21.242 -19.178 1.00 0.00 H ATOM 1109 H ARG A 734 11.818 20.213 -23.070 1.00 0.00 H ATOM 1110 N GLN A 735 13.150 20.328 -26.146 1.00 38.63 N ATOM 1111 CA GLN A 735 13.479 20.112 -27.539 1.00 38.50 C ATOM 1112 C GLN A 735 12.575 20.948 -28.438 1.00 38.46 C ATOM 1113 O GLN A 735 13.048 21.533 -29.401 1.00 43.11 O ATOM 1114 CB GLN A 735 13.363 18.625 -27.871 1.00 41.32 C ATOM 1115 CG GLN A 735 14.501 17.779 -27.283 1.00 51.89 C ATOM 1116 CD GLN A 735 15.852 18.113 -27.879 1.00 63.76 C ATOM 1117 OE1 GLN A 735 15.958 18.934 -28.798 1.00 70.90 O ATOM 1118 NE2 GLN A 735 16.898 17.464 -27.373 1.00 67.37 N ATOM 1119 HE22 GLN A 735 16.762 16.782 -26.600 1.00 0.00 H ATOM 1120 HE21 GLN A 735 17.851 17.639 -27.751 1.00 0.00 H ATOM 1121 H GLN A 735 12.623 19.607 -25.612 1.00 0.00 H ATOM 1122 N ALA A 736 11.308 21.101 -28.060 1.00 36.19 N ATOM 1123 CA ALA A 736 10.380 21.904 -28.842 1.00 32.02 C ATOM 1124 C ALA A 736 10.800 23.369 -28.797 1.00 33.42 C ATOM 1125 O ALA A 736 10.667 24.087 -29.783 1.00 38.90 O ATOM 1126 CB ALA A 736 8.940 21.722 -28.350 1.00 28.62 C ATOM 1127 H ALA A 736 10.975 20.638 -27.190 1.00 0.00 H ATOM 1128 N GLU A 737 11.273 23.822 -27.644 1.00 36.97 N ATOM 1129 CA GLU A 737 11.700 25.213 -27.513 1.00 43.88 C ATOM 1130 C GLU A 737 12.889 25.622 -28.370 1.00 45.40 C ATOM 1131 O GLU A 737 13.134 26.813 -28.527 1.00 44.82 O ATOM 1132 CB GLU A 737 12.032 25.546 -26.068 1.00 47.42 C ATOM 1133 CG GLU A 737 10.900 26.257 -25.376 1.00 54.63 C ATOM 1134 CD GLU A 737 10.820 25.927 -23.923 1.00 57.16 C ATOM 1135 OE1 GLU A 737 11.886 25.897 -23.271 1.00 60.28 O ATOM 1136 OE2 GLU A 737 9.694 25.732 -23.433 1.00 57.33 O ATOM 1137 H GLU A 737 11.341 23.182 -26.827 1.00 0.00 H ATOM 1138 N LYS A 738 13.655 24.657 -28.873 1.00 49.79 N ATOM 1139 CA LYS A 738 14.801 24.971 -29.735 1.00 55.10 C ATOM 1140 C LYS A 738 14.397 25.153 -31.214 1.00 58.20 C ATOM 1141 O LYS A 738 15.225 25.503 -32.052 1.00 62.17 O ATOM 1142 CB LYS A 738 15.893 23.894 -29.628 1.00 49.87 C ATOM 1143 CG LYS A 738 16.413 23.635 -28.228 1.00 51.93 C ATOM 1144 CD LYS A 738 16.879 24.915 -27.559 1.00 57.85 C ATOM 1145 H LYS A 738 13.438 23.664 -28.652 1.00 0.00 H ATOM 1146 N MET A 739 13.130 24.922 -31.532 1.00 59.01 N ATOM 1147 CA MET A 739 12.697 24.897 -32.928 1.00 59.84 C ATOM 1148 C MET A 739 12.361 26.255 -33.533 1.00 73.99 C ATOM 1149 O MET A 739 12.813 26.569 -34.633 1.00 74.57 O ATOM 1150 CB MET A 739 11.480 23.976 -33.072 1.00 49.88 C ATOM 1151 CG MET A 739 11.810 22.490 -33.053 1.00 42.45 C ATOM 1152 SD MET A 739 10.302 21.502 -32.952 1.00 48.70 S ATOM 1153 CE MET A 739 10.947 19.835 -32.931 1.00 27.49 C ATOM 1154 H MET A 739 12.434 24.756 -30.777 1.00 0.00 H ATOM 1155 N GLY A 740 11.594 27.071 -32.824 1.00 89.62 N ATOM 1156 CA GLY A 740 11.141 28.327 -33.394 1.00105.67 C ATOM 1157 C GLY A 740 12.047 29.493 -33.055 1.00118.95 C ATOM 1158 O GLY A 740 12.959 29.381 -32.232 1.00121.80 O ATOM 1159 OXT GLY A 740 11.897 30.577 -33.621 1.00123.06 O ATOM 1160 H GLY A 740 11.316 26.811 -31.856 1.00 0.00 H TER 1161 GLY A 740 HETATM 1162 O HOH 1 -11.014 9.932 -24.189 1.00 31.72 O HETATM 1163 O HOH 2 7.666 27.224 -23.179 1.00 38.64 O HETATM 1164 O HOH 3 15.614 11.996 -26.854 1.00 40.37 O HETATM 1165 O HOH 4 -8.036 -1.789 -29.243 1.00 28.20 O HETATM 1166 O HOH 5 -3.382 3.919 -27.348 1.00 25.35 O HETATM 1167 O HOH 6 10.019 13.256 -26.823 1.00 29.25 O HETATM 1168 O HOH 7 2.701 34.349 -35.996 1.00 36.59 O HETATM 1169 O HOH 8 -9.960 9.039 -16.159 1.00 31.69 O HETATM 1170 O HOH 9 -0.503 15.473 -14.081 1.00 22.84 O HETATM 1171 O HOH 10 2.521 12.483 -8.492 1.00 40.49 O HETATM 1172 O HOH 11 0.417 5.946 -6.317 1.00 34.85 O HETATM 1173 O HOH 12 -0.018 15.867 -7.275 1.00 26.80 O HETATM 1174 O HOH 13 -7.164 1.852 -30.120 1.00 43.30 O HETATM 1175 O HOH 14 -3.518 15.264 -41.978 1.00 39.61 O HETATM 1176 O HOH 15 11.276 8.880 -21.629 1.00 37.10 O HETATM 1177 O HOH 16 15.421 9.362 -24.415 1.00 38.76 O HETATM 1178 O HOH 17 -13.122 -6.194 -15.057 1.00 38.67 O HETATM 1179 O HOH 18 13.478 22.743 -36.323 1.00 41.59 O HETATM 1180 C15 LS A 8 -10.903 2.852 -16.686 1.00 -0.02 C HETATM 1181 C14 LS A 8 -9.718 3.591 -17.050 1.00 -0.05 C HETATM 1182 C13 LS A 8 -9.471 4.829 -16.555 1.00 0.03 C HETATM 1183 C12 LS A 8 -10.401 5.421 -15.596 1.00 0.22 C HETATM 1184 O3 LS A 8 -10.186 6.518 -15.089 1.00 -0.40 O HETATM 1185 N1 LS A 8 -11.523 4.706 -15.257 1.00 -0.23 N HETATM 1186 C11 LS A 8 -12.418 5.286 -14.261 1.00 0.05 C HETATM 1187 H5 LS A 8 -12.038 6.273 -13.957 1.00 0.06 H HETATM 1188 H6 LS A 8 -12.467 4.625 -13.383 1.00 0.06 H HETATM 1189 H7 LS A 8 -13.424 5.397 -14.692 1.00 0.06 H HETATM 1190 C10 LS A 8 -11.810 3.441 -15.793 1.00 0.07 C HETATM 1191 C9 LS A 8 -12.971 2.775 -15.438 1.00 -0.05 C HETATM 1192 C8 LS A 8 -13.226 1.512 -15.934 1.00 -0.05 C HETATM 1193 C7 LS A 8 -12.321 0.890 -16.781 1.00 0.05 C HETATM 1194 N LS A 8 -12.587 -0.484 -17.075 1.00 -0.20 N HETATM 1195 S LS A 8 -11.774 -1.680 -17.828 1.00 0.09 S HETATM 1196 C6 LS A 8 -10.168 -1.795 -17.081 1.00 0.15 C HETATM 1197 C5 LS A 8 -10.093 -2.256 -15.771 1.00 -0.03 C HETATM 1198 C4 LS A 8 -8.862 -2.384 -15.153 1.00 -0.04 C HETATM 1199 C3 LS A 8 -7.696 -2.057 -15.847 1.00 0.09 C HETATM 1200 C2 LS A 8 -7.762 -1.595 -17.160 1.00 0.00 C HETATM 1201 C1 LS A 8 -8.992 -1.460 -17.779 1.00 0.13 C HETATM 1202 O LS A 8 -9.158 -1.014 -19.063 1.00 -0.32 O HETATM 1203 C LS A 8 -7.990 -0.717 -19.817 1.00 0.06 C HETATM 1204 H8 LS A 8 -8.279 -0.373 -20.821 1.00 0.06 H HETATM 1205 H9 LS A 8 -7.370 -1.621 -19.904 1.00 0.06 H HETATM 1206 H10 LS A 8 -7.417 0.073 -19.309 1.00 0.06 H HETATM 1207 H1 LS A 8 -6.853 -1.342 -17.694 1.00 0.06 H HETATM 1208 C18 LS A 8 -6.408 -2.200 -15.216 1.00 0.10 C HETATM 1209 N2 LS A 8 -5.371 -2.301 -14.750 1.00 -0.33 N HETATM 1210 H3 LS A 8 -8.803 -2.738 -14.130 1.00 0.06 H HETATM 1211 H4 LS A 8 -10.999 -2.515 -15.235 1.00 0.06 H HETATM 1212 O1 LS A 8 -11.641 -1.256 -19.189 1.00 -0.15 O HETATM 1213 O2 LS A 8 -12.459 -2.901 -17.532 1.00 -0.15 O HETATM 1214 H11 LS A 8 -13.481 -0.781 -16.740 1.00 0.21 H HETATM 1215 C16 LS A 8 -11.169 1.567 -17.182 1.00 -0.05 C HETATM 1216 H12 LS A 8 -10.480 1.100 -17.877 1.00 0.04 H HETATM 1217 H14 LS A 8 -14.142 1.002 -15.659 1.00 0.05 H HETATM 1218 H13 LS A 8 -13.682 3.247 -14.769 1.00 0.05 H HETATM 1219 C17 LS A 8 -8.308 5.660 -16.979 1.00 -0.03 C HETATM 1220 H15 LS A 8 -7.696 5.095 -17.697 1.00 0.04 H HETATM 1221 H16 LS A 8 -7.699 5.915 -16.099 1.00 0.04 H HETATM 1222 H17 LS A 8 -8.671 6.583 -17.454 1.00 0.04 H HETATM 1223 H2 LS A 8 -9.004 3.143 -17.740 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1180 1181 1190 1215 CONECT 1181 1180 1182 1223 CONECT 1182 1181 1183 1219 CONECT 1183 1182 1184 1185 CONECT 1184 1183 CONECT 1185 1183 1186 1190 CONECT 1186 1185 1187 1188 1189 CONECT 1187 1186 CONECT 1188 1186 CONECT 1189 1186 CONECT 1190 1180 1185 1191 CONECT 1191 1190 1192 1218 CONECT 1192 1191 1193 1217 CONECT 1193 1192 1194 1215 CONECT 1194 1193 1195 1214 CONECT 1195 1194 1196 1212 1213 CONECT 1196 1195 1197 1201 CONECT 1197 1196 1198 1211 CONECT 1198 1197 1199 1210 CONECT 1199 1198 1200 1208 CONECT 1200 1199 1201 1207 CONECT 1201 1196 1200 1202 CONECT 1202 1201 1203 CONECT 1203 1202 1204 1205 1206 CONECT 1204 1203 CONECT 1205 1203 CONECT 1206 1203 CONECT 1207 1200 CONECT 1208 1199 1209 CONECT 1209 1208 CONECT 1210 1198 CONECT 1211 1197 CONECT 1212 1195 CONECT 1213 1195 CONECT 1214 1194 CONECT 1215 1180 1193 1216 CONECT 1216 1215 CONECT 1217 1192 CONECT 1218 1191 CONECT 1219 1182 1220 1221 1222 CONECT 1220 1219 CONECT 1221 1219 CONECT 1222 1219 CONECT 1223 1181 MASTER 0 0 0 0 0 0 0 0 1222 1 48 9 END
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Structure:
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Related entries of code: 5myg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4uye
RCSB PDB
PDBbind
118aa, >4UYE_1|Chains... *
5c7n
RCSB PDB
PDBbind
116aa, >5C7N_1|Chain... at 97%
5c85
RCSB PDB
PDBbind
116aa, >5C85_1|Chain... at 97%
5c87
RCSB PDB
PDBbind
116aa, >5C87_1|Chain... at 97%
5d7x
RCSB PDB
PDBbind
116aa, >5D7X_1|Chain... at 97%
5dy7
RCSB PDB
PDBbind
116aa, >5DY7_1|Chain... at 97%
5dya
RCSB PDB
PDBbind
116aa, >5DYA_1|Chain... at 97%
5e3d
RCSB PDB
PDBbind
116aa, >5E3D_1|Chain... at 97%
5e3g
RCSB PDB
PDBbind
116aa, >5E3G_1|Chain... at 97%
5em3
RCSB PDB
PDBbind
116aa, >5EM3_1|Chain... at 97%
5epr
RCSB PDB
PDBbind
116aa, >5EPR_1|Chain... at 97%
5eps
RCSB PDB
PDBbind
116aa, >5EPS_1|Chain... at 97%
5eq1
RCSB PDB
PDBbind
116aa, >5EQ1_1|Chain... at 97%
5etb
RCSB PDB
PDBbind
116aa, >5ETB_1|Chain... at 97%
5eva
RCSB PDB
PDBbind
116aa, >5EVA_1|Chain... at 97%
5ewd
RCSB PDB
PDBbind
116aa, >5EWD_1|Chain... at 97%
5ewh
RCSB PDB
PDBbind
116aa, >5EWH_1|Chain... at 97%
5mwg
RCSB PDB
PDBbind
116aa, >5MWG_1|Chains... at 97%
5mwh
RCSB PDB
PDBbind
116aa, >5MWH_1|Chains... at 97%
5mwz
RCSB PDB
PDBbind
116aa, >5MWZ_1|Chain... at 97%
5o4s
RCSB PDB
PDBbind
116aa, >5O4S_1|Chains... at 97%
5o4t
RCSB PDB
PDBbind
116aa, >5O4T_1|Chain... at 97%
5o55
RCSB PDB
PDBbind
116aa, >5O55_1|Chain... at 97%
5o5a
RCSB PDB
PDBbind
116aa, >5O5A_1|Chain... at 97%
5o5f
RCSB PDB
PDBbind
116aa, >5O5F_1|Chain... at 97%
5o5h
RCSB PDB
PDBbind
116aa, >5O5H_1|Chain... at 97%
5ov8
RCSB PDB
PDBbind
116aa, >5OV8_1|Chains... at 97%
5owa
RCSB PDB
PDBbind
116aa, >5OWA_1|Chains... at 97%
5t4u
RCSB PDB
PDBbind
116aa, >5T4U_1|Chain... at 97%
5t4v
RCSB PDB
PDBbind
116aa, >5T4V_1|Chain... at 97%
6ekq
RCSB PDB
PDBbind
116aa, >6EKQ_1|Chains... 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
5myg
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Peregrin
Ligand Name
LS8
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Kd=31nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 6998-7011
Ligand Properties
Formula
C
1
9
H
1
7
N
3
O
4
S
Molecular Weight
383.421
Exact Mass
383.094
No. of atoms
44
No. of bonds
46
Polar Surface Area
109.57
LOGP Value
2.10 (
Computed with XLOGP3
)
3.68 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(c(=O)n2C)C
InChI String
InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3
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):
P55201
Entrez Gene ID
NCBI Entrez Gene ID:
7862
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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