Browse entries in the PDBbind-CN Database
HEADER 5EM3_COMPLEX COMPND 5EM3_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 115 SER MET GLU MET GLN LEU THR PRO PHE LEU ILE LEU LEU SEQRES 2 A 115 ARG LYS THR LEU GLU GLN LEU GLN GLU LYS ASP THR GLY SEQRES 3 A 115 ASN ILE PHE SER GLU PRO VAL PRO LEU SER GLU VAL PRO SEQRES 4 A 115 ASP TYR LEU ASP HIS ILE LYS LYS PRO MET ASP PHE PHE SEQRES 5 A 115 THR MET LYS GLN ASN LEU GLU ALA TYR ARG TYR LEU ASN SEQRES 6 A 115 PHE ASP ASP PHE GLU GLU ASP PHE ASN LEU ILE VAL SER SEQRES 7 A 115 ASN CYS LEU LYS TYR ASN ALA LYS ASP THR ILE PHE TYR SEQRES 8 A 115 ARG ALA ALA VAL ARG LEU ARG GLU GLN GLY GLY ALA VAL SEQRES 9 A 115 LEU ARG GLN ALA ARG ARG GLN ALA GLU LYS MET HET UNN A 286 18 ATOM 1 N SER A 625 49.214 -4.139 -15.610 1.00 46.51 N ATOM 2 CA SER A 625 50.539 -4.570 -16.034 1.00 47.38 C ATOM 3 C SER A 625 51.369 -5.023 -14.844 1.00 40.55 C ATOM 4 O SER A 625 50.888 -5.054 -13.710 1.00 34.30 O ATOM 5 CB SER A 625 51.270 -3.437 -16.753 1.00 52.17 C ATOM 6 OG SER A 625 51.702 -2.456 -15.826 1.00 53.11 O ATOM 7 HG SER A 625 52.173 -1.731 -16.309 1.00 0.00 H ATOM 8 HN3 SER A 625 49.306 -3.345 -14.944 1.00 0.00 H ATOM 9 HN2 SER A 625 48.726 -4.930 -15.143 1.00 0.00 H ATOM 10 HN1 SER A 625 48.667 -3.835 -16.441 1.00 0.00 H ATOM 11 N MET A 626 52.633 -5.349 -15.123 1.00 38.48 N ATOM 12 CA MET A 626 53.529 -5.859 -14.091 1.00 41.17 C ATOM 13 C MET A 626 53.673 -4.880 -12.934 1.00 41.62 C ATOM 14 O MET A 626 53.645 -5.281 -11.764 1.00 36.93 O ATOM 15 CB MET A 626 54.903 -6.135 -14.698 1.00 45.26 C ATOM 16 CG MET A 626 55.276 -7.590 -14.716 1.00 49.05 C ATOM 17 SD MET A 626 57.058 -7.817 -14.709 1.00 52.09 S ATOM 18 CE MET A 626 57.483 -7.066 -13.136 1.00 50.86 C ATOM 19 H MET A 626 52.986 -5.237 -16.095 1.00 0.00 H ATOM 20 N GLU A 627 53.840 -3.598 -13.237 1.00 41.08 N ATOM 21 CA GLU A 627 54.204 -2.611 -12.231 1.00 37.54 C ATOM 22 C GLU A 627 53.006 -1.876 -11.654 1.00 33.00 C ATOM 23 O GLU A 627 53.182 -1.059 -10.744 1.00 39.05 O ATOM 24 CB GLU A 627 55.195 -1.600 -12.818 1.00 39.42 C ATOM 25 H GLU A 627 53.707 -3.290 -14.221 1.00 0.00 H ATOM 26 N MET A 628 51.801 -2.146 -12.149 1.00 28.81 N ATOM 27 CA MET A 628 50.635 -1.388 -11.720 1.00 24.65 C ATOM 28 C MET A 628 50.361 -1.601 -10.234 1.00 25.83 C ATOM 29 O MET A 628 50.221 -2.737 -9.770 1.00 21.15 O ATOM 30 CB MET A 628 49.423 -1.801 -12.533 1.00 29.07 C ATOM 31 CG MET A 628 48.214 -1.043 -12.122 1.00 25.09 C ATOM 32 SD MET A 628 46.860 -1.268 -13.258 1.00 33.12 S ATOM 33 CE MET A 628 45.716 -0.137 -12.490 1.00 22.18 C ATOM 34 H MET A 628 51.691 -2.907 -12.850 1.00 0.00 H ATOM 35 N GLN A 629 50.283 -0.500 -9.493 1.00 22.19 N ATOM 36 CA GLN A 629 50.178 -0.538 -8.041 1.00 21.76 C ATOM 37 C GLN A 629 48.726 -0.522 -7.579 1.00 16.98 C ATOM 38 O GLN A 629 47.864 0.125 -8.176 1.00 18.59 O ATOM 39 CB GLN A 629 50.923 0.644 -7.423 1.00 22.31 C ATOM 40 CG GLN A 629 52.417 0.604 -7.673 1.00 28.48 C ATOM 41 CD GLN A 629 53.164 1.591 -6.811 1.00 41.40 C ATOM 42 OE1 GLN A 629 54.327 1.379 -6.468 1.00 48.96 O ATOM 43 NE2 GLN A 629 52.496 2.681 -6.448 1.00 42.59 N ATOM 44 HE22 GLN A 629 51.514 2.818 -6.762 1.00 0.00 H ATOM 45 HE21 GLN A 629 52.955 3.397 -5.850 1.00 0.00 H ATOM 46 H GLN A 629 50.298 0.425 -9.969 1.00 0.00 H ATOM 47 N LEU A 630 48.480 -1.208 -6.462 1.00 16.95 N ATOM 48 CA LEU A 630 47.125 -1.378 -5.954 1.00 16.15 C ATOM 49 C LEU A 630 46.569 -0.080 -5.374 1.00 15.98 C ATOM 50 O LEU A 630 45.454 0.326 -5.714 1.00 15.13 O ATOM 51 CB LEU A 630 47.112 -2.480 -4.891 1.00 16.66 C ATOM 52 CG LEU A 630 45.746 -2.669 -4.223 1.00 19.33 C ATOM 53 CD1 LEU A 630 44.773 -3.335 -5.166 1.00 22.63 C ATOM 54 CD2 LEU A 630 45.879 -3.444 -2.913 1.00 30.37 C ATOM 55 H LEU A 630 49.274 -1.632 -5.941 1.00 0.00 H ATOM 56 N THR A 631 47.317 0.570 -4.482 1.00 16.93 N ATOM 57 CA THR A 631 46.756 1.708 -3.753 1.00 17.06 C ATOM 58 C THR A 631 46.303 2.857 -4.647 1.00 17.13 C ATOM 59 O THR A 631 45.181 3.352 -4.441 1.00 16.07 O ATOM 60 CB THR A 631 47.667 2.146 -2.600 1.00 22.57 C ATOM 61 OG1 THR A 631 48.935 2.557 -3.111 1.00 29.90 O ATOM 62 CG2 THR A 631 47.868 1.011 -1.628 1.00 18.99 C ATOM 63 HG1 THR A 631 49.517 2.838 -2.361 1.00 0.00 H ATOM 64 H THR A 631 48.297 0.269 -4.305 1.00 0.00 H ATOM 65 N PRO A 632 47.074 3.324 -5.643 1.00 16.84 N ATOM 66 CA PRO A 632 46.536 4.396 -6.497 1.00 17.03 C ATOM 67 C PRO A 632 45.307 3.961 -7.265 1.00 15.26 C ATOM 68 O PRO A 632 44.412 4.775 -7.519 1.00 15.02 O ATOM 69 CB PRO A 632 47.715 4.749 -7.422 1.00 17.77 C ATOM 70 CG PRO A 632 48.930 4.208 -6.737 1.00 21.99 C ATOM 71 CD PRO A 632 48.457 2.976 -6.029 1.00 17.64 C ATOM 72 N PHE A 633 45.221 2.687 -7.636 1.00 14.73 N ATOM 73 CA PHE A 633 44.036 2.212 -8.331 1.00 14.51 C ATOM 74 C PHE A 633 42.809 2.242 -7.418 1.00 13.17 C ATOM 75 O PHE A 633 41.736 2.697 -7.833 1.00 13.16 O ATOM 76 CB PHE A 633 44.304 0.812 -8.891 1.00 13.65 C ATOM 77 CG PHE A 633 43.120 0.207 -9.561 1.00 12.90 C ATOM 78 CD1 PHE A 633 42.692 0.672 -10.799 1.00 14.93 C ATOM 79 CD2 PHE A 633 42.418 -0.817 -8.949 1.00 12.44 C ATOM 80 CE1 PHE A 633 41.571 0.108 -11.416 1.00 14.02 C ATOM 81 CE2 PHE A 633 41.295 -1.379 -9.559 1.00 13.04 C ATOM 82 CZ PHE A 633 40.878 -0.917 -10.784 1.00 13.66 C ATOM 83 H PHE A 633 46.001 2.031 -7.429 1.00 0.00 H ATOM 84 N LEU A 634 42.952 1.801 -6.162 1.00 13.87 N ATOM 85 CA LEU A 634 41.818 1.861 -5.238 1.00 15.49 C ATOM 86 C LEU A 634 41.424 3.303 -4.929 1.00 13.64 C ATOM 87 O LEU A 634 40.230 3.607 -4.812 1.00 14.20 O ATOM 88 CB LEU A 634 42.110 1.076 -3.956 1.00 15.79 C ATOM 89 CG LEU A 634 42.349 -0.428 -4.150 1.00 15.81 C ATOM 90 CD1 LEU A 634 42.661 -1.094 -2.826 1.00 21.04 C ATOM 91 CD2 LEU A 634 41.161 -1.101 -4.832 1.00 18.06 C ATOM 92 H LEU A 634 43.865 1.417 -5.844 1.00 0.00 H ATOM 93 N ILE A 635 42.404 4.203 -4.793 1.00 14.50 N ATOM 94 CA ILE A 635 42.091 5.621 -4.605 1.00 14.99 C ATOM 95 C ILE A 635 41.267 6.137 -5.774 1.00 14.47 C ATOM 96 O ILE A 635 40.262 6.839 -5.586 1.00 14.89 O ATOM 97 CB ILE A 635 43.391 6.421 -4.409 1.00 16.23 C ATOM 98 CG1 ILE A 635 43.980 6.144 -3.024 1.00 17.23 C ATOM 99 CG2 ILE A 635 43.135 7.917 -4.576 1.00 17.43 C ATOM 100 CD1 ILE A 635 45.428 6.578 -2.856 1.00 18.49 C ATOM 101 H ILE A 635 43.396 3.893 -4.821 1.00 0.00 H ATOM 102 N LEU A 636 41.652 5.773 -6.997 1.00 13.78 N ATOM 103 CA LEU A 636 40.880 6.161 -8.171 1.00 15.25 C ATOM 104 C LEU A 636 39.470 5.593 -8.120 1.00 13.52 C ATOM 105 O LEU A 636 38.500 6.294 -8.433 1.00 13.67 O ATOM 106 CB LEU A 636 41.596 5.691 -9.435 1.00 14.63 C ATOM 107 CG LEU A 636 40.819 5.843 -10.744 1.00 15.36 C ATOM 108 CD1 LEU A 636 40.540 7.303 -11.085 1.00 17.54 C ATOM 109 CD2 LEU A 636 41.596 5.156 -11.866 1.00 20.38 C ATOM 110 H LEU A 636 42.515 5.205 -7.115 1.00 0.00 H ATOM 111 N LEU A 637 39.325 4.324 -7.743 1.00 13.29 N ATOM 112 CA LEU A 637 37.986 3.744 -7.690 1.00 12.51 C ATOM 113 C LEU A 637 37.114 4.428 -6.643 1.00 12.57 C ATOM 114 O LEU A 637 35.918 4.640 -6.877 1.00 12.62 O ATOM 115 CB LEU A 637 38.043 2.239 -7.433 1.00 14.57 C ATOM 116 CG LEU A 637 38.625 1.357 -8.534 1.00 14.67 C ATOM 117 CD1 LEU A 637 38.277 -0.082 -8.219 1.00 14.38 C ATOM 118 CD2 LEU A 637 38.078 1.765 -9.894 1.00 15.42 C ATOM 119 H LEU A 637 40.156 3.753 -7.489 1.00 0.00 H ATOM 120 N ARG A 638 37.680 4.777 -5.484 1.00 13.27 N ATOM 121 CA ARG A 638 36.907 5.485 -4.462 1.00 14.27 C ATOM 122 C ARG A 638 36.399 6.822 -4.985 1.00 14.63 C ATOM 123 O ARG A 638 35.227 7.177 -4.791 1.00 15.80 O ATOM 124 CB ARG A 638 37.750 5.705 -3.205 1.00 14.91 C ATOM 125 CG ARG A 638 38.080 4.433 -2.459 1.00 17.02 C ATOM 126 CD ARG A 638 38.876 4.698 -1.168 1.00 19.17 C ATOM 127 NE ARG A 638 39.307 3.414 -0.623 1.00 20.35 N ATOM 128 CZ ARG A 638 40.548 2.946 -0.671 1.00 22.21 C ATOM 129 NH1 ARG A 638 41.528 3.682 -1.174 1.00 22.02 N ATOM 130 NH2 ARG A 638 40.804 1.739 -0.196 1.00 23.47 N ATOM 131 HE ARG A 638 38.587 2.821 -0.162 1.00 0.00 H ATOM 132 HH12 ARG A 638 42.497 3.305 -1.207 1.00 0.00 H ATOM 133 HH11 ARG A 638 41.328 4.636 -1.536 1.00 0.00 H ATOM 134 HH22 ARG A 638 41.773 1.362 -0.228 1.00 0.00 H ATOM 135 HH21 ARG A 638 40.037 1.166 0.210 1.00 0.00 H ATOM 136 H ARG A 638 38.678 4.544 -5.306 1.00 0.00 H ATOM 137 N LYS A 639 37.279 7.593 -5.627 1.00 15.11 N ATOM 138 CA LYS A 639 36.883 8.882 -6.192 1.00 15.07 C ATOM 139 C LYS A 639 35.815 8.693 -7.261 1.00 14.74 C ATOM 140 O LYS A 639 34.836 9.452 -7.324 1.00 16.84 O ATOM 141 CB LYS A 639 38.120 9.554 -6.790 1.00 17.98 C ATOM 142 CG LYS A 639 37.872 10.906 -7.458 1.00 20.50 C ATOM 143 CD LYS A 639 39.161 11.406 -8.119 1.00 32.88 C ATOM 144 CE LYS A 639 38.982 12.753 -8.818 1.00 44.62 C ATOM 145 NZ LYS A 639 38.518 12.623 -10.231 1.00 48.06 N ATOM 146 HZ1 LYS A 639 39.215 12.076 -10.775 1.00 0.00 H ATOM 147 HZ2 LYS A 639 37.601 12.134 -10.250 1.00 0.00 H ATOM 148 HZ3 LYS A 639 38.416 13.570 -10.650 1.00 0.00 H ATOM 149 H LYS A 639 38.263 7.272 -5.727 1.00 0.00 H ATOM 150 N THR A 640 35.980 7.679 -8.108 1.00 13.50 N ATOM 151 CA THR A 640 35.014 7.425 -9.171 1.00 13.10 C ATOM 152 C THR A 640 33.663 7.034 -8.595 1.00 13.96 C ATOM 153 O THR A 640 32.620 7.515 -9.057 1.00 13.18 O ATOM 154 CB THR A 640 35.549 6.316 -10.084 1.00 11.97 C ATOM 155 OG1 THR A 640 36.849 6.692 -10.564 1.00 13.97 O ATOM 156 CG2 THR A 640 34.635 6.122 -11.273 1.00 15.28 C ATOM 157 HG1 THR A 640 37.460 6.816 -9.795 1.00 0.00 H ATOM 158 H THR A 640 36.809 7.059 -8.010 1.00 0.00 H ATOM 159 N LEU A 641 33.658 6.179 -7.574 1.00 13.19 N ATOM 160 CA LEU A 641 32.405 5.800 -6.931 1.00 12.94 C ATOM 161 C LEU A 641 31.685 7.013 -6.351 1.00 14.78 C ATOM 162 O LEU A 641 30.466 7.141 -6.506 1.00 15.90 O ATOM 163 CB LEU A 641 32.682 4.745 -5.855 1.00 14.06 C ATOM 164 CG LEU A 641 31.450 4.147 -5.175 1.00 14.20 C ATOM 165 CD1 LEU A 641 30.491 3.575 -6.203 1.00 18.56 C ATOM 166 CD2 LEU A 641 31.881 3.066 -4.188 1.00 17.28 C ATOM 167 H LEU A 641 34.555 5.778 -7.232 1.00 0.00 H ATOM 168 N GLU A 642 32.414 7.906 -5.679 1.00 14.42 N ATOM 169 CA GLU A 642 31.810 9.129 -5.162 1.00 16.02 C ATOM 170 C GLU A 642 31.217 9.968 -6.288 1.00 17.58 C ATOM 171 O GLU A 642 30.105 10.497 -6.158 1.00 17.09 O ATOM 172 CB GLU A 642 32.852 9.930 -4.389 1.00 17.23 C ATOM 173 CG GLU A 642 33.181 9.368 -3.018 1.00 30.12 C ATOM 174 CD GLU A 642 34.170 10.237 -2.264 1.00 50.17 C ATOM 175 OE1 GLU A 642 34.753 11.152 -2.884 1.00 56.15 O ATOM 176 OE2 GLU A 642 34.364 10.006 -1.051 1.00 56.98 O ATOM 177 H GLU A 642 33.426 7.728 -5.522 1.00 0.00 H ATOM 178 N GLN A 643 31.926 10.080 -7.415 1.00 13.99 N ATOM 179 CA GLN A 643 31.414 10.858 -8.544 1.00 15.63 C ATOM 180 C GLN A 643 30.150 10.232 -9.122 1.00 15.33 C ATOM 181 O GLN A 643 29.216 10.943 -9.521 1.00 15.19 O ATOM 182 CB GLN A 643 32.498 11.014 -9.618 1.00 16.21 C ATOM 183 CG GLN A 643 33.625 11.953 -9.189 1.00 15.77 C ATOM 184 CD GLN A 643 34.842 11.960 -10.111 1.00 26.66 C ATOM 185 OE1 GLN A 643 35.534 12.980 -10.236 1.00 30.70 O ATOM 186 NE2 GLN A 643 35.133 10.828 -10.723 1.00 20.56 N ATOM 187 HE22 GLN A 643 34.525 9.994 -10.591 1.00 0.00 H ATOM 188 HE21 GLN A 643 35.970 10.769 -11.337 1.00 0.00 H ATOM 189 H GLN A 643 32.851 9.610 -7.491 1.00 0.00 H ATOM 190 N LEU A 644 30.082 8.904 -9.160 1.00 13.91 N ATOM 191 CA LEU A 644 28.875 8.242 -9.652 1.00 13.72 C ATOM 192 C LEU A 644 27.710 8.440 -8.698 1.00 14.76 C ATOM 193 O LEU A 644 26.585 8.718 -9.136 1.00 15.60 O ATOM 194 CB LEU A 644 29.142 6.749 -9.853 1.00 15.09 C ATOM 195 CG LEU A 644 30.185 6.433 -10.929 1.00 14.84 C ATOM 196 CD1 LEU A 644 30.566 4.951 -10.904 1.00 16.72 C ATOM 197 CD2 LEU A 644 29.715 6.842 -12.318 1.00 15.41 C ATOM 198 H LEU A 644 30.891 8.335 -8.838 1.00 0.00 H ATOM 199 N GLN A 645 27.949 8.298 -7.393 1.00 15.86 N ATOM 200 CA GLN A 645 26.890 8.532 -6.417 1.00 18.90 C ATOM 201 C GLN A 645 26.353 9.950 -6.511 1.00 17.49 C ATOM 202 O GLN A 645 25.162 10.179 -6.266 1.00 19.43 O ATOM 203 CB GLN A 645 27.381 8.238 -5.000 1.00 18.69 C ATOM 204 CG GLN A 645 27.747 6.785 -4.813 1.00 20.43 C ATOM 205 CD GLN A 645 27.479 6.300 -3.416 1.00 25.72 C ATOM 206 OE1 GLN A 645 28.396 5.864 -2.723 1.00 30.13 O ATOM 207 NE2 GLN A 645 26.215 6.361 -2.991 1.00 27.98 N ATOM 208 HE22 GLN A 645 25.474 6.739 -3.616 1.00 0.00 H ATOM 209 HE21 GLN A 645 25.971 6.031 -2.035 1.00 0.00 H ATOM 210 H GLN A 645 28.897 8.019 -7.069 1.00 0.00 H ATOM 211 N GLU A 646 27.209 10.911 -6.858 1.00 15.13 N ATOM 212 CA GLU A 646 26.759 12.288 -7.023 1.00 19.06 C ATOM 213 C GLU A 646 25.758 12.415 -8.159 1.00 17.22 C ATOM 214 O GLU A 646 24.902 13.303 -8.120 1.00 18.76 O ATOM 215 CB GLU A 646 27.952 13.199 -7.310 1.00 20.84 C ATOM 216 CG GLU A 646 28.864 13.460 -6.143 1.00 33.10 C ATOM 217 CD GLU A 646 30.017 14.362 -6.533 1.00 49.53 C ATOM 218 OE1 GLU A 646 29.962 14.947 -7.639 1.00 51.04 O ATOM 219 OE2 GLU A 646 30.976 14.482 -5.742 1.00 56.06 O ATOM 220 H GLU A 646 28.210 10.676 -7.013 1.00 0.00 H ATOM 221 N LYS A 647 25.862 11.573 -9.191 1.00 15.48 N ATOM 222 CA LYS A 647 24.905 11.636 -10.294 1.00 15.04 C ATOM 223 C LYS A 647 23.545 11.087 -9.890 1.00 16.29 C ATOM 224 O LYS A 647 22.518 11.490 -10.452 1.00 15.92 O ATOM 225 CB LYS A 647 25.418 10.869 -11.517 1.00 17.53 C ATOM 226 CG LYS A 647 26.759 11.348 -12.066 1.00 15.25 C ATOM 227 CD LYS A 647 26.749 12.822 -12.420 1.00 17.06 C ATOM 228 CE LYS A 647 28.092 13.211 -13.025 1.00 19.43 C ATOM 229 NZ LYS A 647 28.161 14.653 -13.332 1.00 21.63 N ATOM 230 HZ1 LYS A 647 27.414 14.897 -14.013 1.00 0.00 H ATOM 231 HZ2 LYS A 647 28.027 15.199 -12.457 1.00 0.00 H ATOM 232 HZ3 LYS A 647 29.091 14.875 -13.742 1.00 0.00 H ATOM 233 H LYS A 647 26.628 10.869 -9.210 1.00 0.00 H ATOM 234 N ASP A 648 23.513 10.171 -8.924 1.00 14.36 N ATOM 235 CA ASP A 648 22.264 9.602 -8.409 1.00 13.79 C ATOM 236 C ASP A 648 21.745 10.557 -7.338 1.00 14.64 C ATOM 237 O ASP A 648 21.906 10.351 -6.132 1.00 14.01 O ATOM 238 CB ASP A 648 22.552 8.211 -7.849 1.00 12.90 C ATOM 239 CG ASP A 648 21.395 7.625 -7.055 1.00 17.34 C ATOM 240 OD1 ASP A 648 20.230 8.031 -7.271 1.00 16.16 O ATOM 241 OD2 ASP A 648 21.667 6.742 -6.205 1.00 15.31 O ATOM 242 H ASP A 648 24.413 9.845 -8.517 1.00 0.00 H ATOM 243 N THR A 649 21.123 11.658 -7.795 1.00 13.64 N ATOM 244 CA THR A 649 20.808 12.751 -6.875 1.00 16.40 C ATOM 245 C THR A 649 19.719 12.379 -5.876 1.00 15.36 C ATOM 246 O THR A 649 19.707 12.913 -4.762 1.00 19.64 O ATOM 247 CB THR A 649 20.414 14.035 -7.614 1.00 14.97 C ATOM 248 OG1 THR A 649 19.226 13.806 -8.377 1.00 15.34 O ATOM 249 CG2 THR A 649 21.535 14.523 -8.527 1.00 16.03 C ATOM 250 HG1 THR A 649 18.975 14.637 -8.852 1.00 0.00 H ATOM 251 H THR A 649 20.866 11.732 -8.800 1.00 0.00 H ATOM 252 N GLY A 650 18.834 11.457 -6.241 1.00 17.52 N ATOM 253 CA GLY A 650 17.824 10.964 -5.329 1.00 22.16 C ATOM 254 C GLY A 650 18.291 9.878 -4.393 1.00 21.46 C ATOM 255 O GLY A 650 17.531 9.446 -3.521 1.00 19.79 O ATOM 256 H GLY A 650 18.868 11.079 -7.209 1.00 0.00 H ATOM 257 N ASN A 651 19.538 9.426 -4.554 1.00 16.89 N ATOM 258 CA ASN A 651 20.111 8.347 -3.747 1.00 16.74 C ATOM 259 C ASN A 651 19.311 7.052 -3.857 1.00 15.76 C ATOM 260 O ASN A 651 19.290 6.255 -2.914 1.00 20.05 O ATOM 261 CB ASN A 651 20.317 8.757 -2.287 1.00 21.22 C ATOM 262 CG ASN A 651 21.274 9.908 -2.150 1.00 23.25 C ATOM 263 OD1 ASN A 651 21.034 10.851 -1.395 1.00 40.19 O ATOM 264 ND2 ASN A 651 22.362 9.851 -2.893 1.00 22.27 N ATOM 265 HD22 ASN A 651 22.524 9.035 -3.517 1.00 0.00 H ATOM 266 HD21 ASN A 651 23.058 10.622 -2.855 1.00 0.00 H ATOM 267 H ASN A 651 20.131 9.862 -5.289 1.00 0.00 H ATOM 268 N ILE A 652 18.648 6.825 -4.995 1.00 14.88 N ATOM 269 CA ILE A 652 17.837 5.617 -5.112 1.00 16.60 C ATOM 270 C ILE A 652 18.692 4.366 -5.245 1.00 16.69 C ATOM 271 O ILE A 652 18.205 3.263 -4.970 1.00 16.71 O ATOM 272 CB ILE A 652 16.744 5.713 -6.193 1.00 17.32 C ATOM 273 CG1 ILE A 652 17.354 5.726 -7.587 1.00 16.93 C ATOM 274 CG2 ILE A 652 15.871 6.951 -5.971 1.00 19.32 C ATOM 275 CD1 ILE A 652 16.316 5.555 -8.680 1.00 22.86 C ATOM 276 H ILE A 652 18.709 7.499 -5.785 1.00 0.00 H ATOM 277 N PHE A 653 19.963 4.507 -5.640 1.00 13.10 N ATOM 278 CA PHE A 653 20.879 3.380 -5.785 1.00 12.30 C ATOM 279 C PHE A 653 21.886 3.303 -4.648 1.00 13.68 C ATOM 280 O PHE A 653 22.839 2.523 -4.730 1.00 14.51 O ATOM 281 CB PHE A 653 21.595 3.470 -7.130 1.00 11.95 C ATOM 282 CG PHE A 653 20.660 3.617 -8.303 1.00 11.66 C ATOM 283 CD1 PHE A 653 19.769 2.613 -8.634 1.00 12.65 C ATOM 284 CD2 PHE A 653 20.679 4.776 -9.068 1.00 13.32 C ATOM 285 CE1 PHE A 653 18.911 2.769 -9.719 1.00 13.32 C ATOM 286 CE2 PHE A 653 19.828 4.939 -10.139 1.00 13.98 C ATOM 287 CZ PHE A 653 18.944 3.936 -10.467 1.00 12.75 C ATOM 288 H PHE A 653 20.314 5.463 -5.853 1.00 0.00 H ATOM 289 N SER A 654 21.689 4.075 -3.577 1.00 14.32 N ATOM 290 CA SER A 654 22.696 4.139 -2.523 1.00 16.04 C ATOM 291 C SER A 654 22.760 2.857 -1.704 1.00 16.42 C ATOM 292 O SER A 654 23.826 2.518 -1.181 1.00 17.24 O ATOM 293 CB SER A 654 22.443 5.341 -1.613 1.00 19.04 C ATOM 294 OG SER A 654 22.686 6.554 -2.302 1.00 18.62 O ATOM 295 HG SER A 654 23.628 6.576 -2.606 1.00 0.00 H ATOM 296 H SER A 654 20.815 4.633 -3.494 1.00 0.00 H ATOM 297 N GLU A 655 21.650 2.145 -1.578 1.00 16.73 N ATOM 298 CA GLU A 655 21.561 0.956 -0.745 1.00 17.66 C ATOM 299 C GLU A 655 20.803 -0.107 -1.527 1.00 16.07 C ATOM 300 O GLU A 655 20.148 0.206 -2.527 1.00 15.38 O ATOM 301 CB GLU A 655 20.832 1.292 0.566 1.00 20.23 C ATOM 302 CG GLU A 655 21.578 2.321 1.413 1.00 25.80 C ATOM 303 CD GLU A 655 20.849 2.705 2.689 1.00 37.10 C ATOM 304 OE1 GLU A 655 19.670 2.332 2.844 1.00 37.90 O ATOM 305 OE2 GLU A 655 21.466 3.383 3.538 1.00 47.31 O ATOM 306 H GLU A 655 20.803 2.450 -2.099 1.00 0.00 H ATOM 307 N PRO A 656 20.881 -1.371 -1.102 1.00 17.23 N ATOM 308 CA PRO A 656 20.172 -2.429 -1.833 1.00 16.32 C ATOM 309 C PRO A 656 18.696 -2.093 -1.992 1.00 15.43 C ATOM 310 O PRO A 656 18.076 -1.495 -1.106 1.00 18.52 O ATOM 311 CB PRO A 656 20.366 -3.663 -0.940 1.00 17.83 C ATOM 312 CG PRO A 656 21.634 -3.409 -0.208 1.00 19.05 C ATOM 313 CD PRO A 656 21.670 -1.915 0.020 1.00 17.93 C ATOM 314 N VAL A 657 18.137 -2.481 -3.136 1.00 15.74 N ATOM 315 CA VAL A 657 16.687 -2.462 -3.318 1.00 17.27 C ATOM 316 C VAL A 657 16.065 -3.172 -2.120 1.00 20.74 C ATOM 317 O VAL A 657 16.494 -4.283 -1.763 1.00 18.93 O ATOM 318 CB VAL A 657 16.281 -3.120 -4.649 1.00 15.83 C ATOM 319 CG1 VAL A 657 14.772 -3.295 -4.726 1.00 19.04 C ATOM 320 CG2 VAL A 657 16.783 -2.286 -5.841 1.00 16.76 C ATOM 321 H VAL A 657 18.744 -2.804 -3.916 1.00 0.00 H ATOM 322 N PRO A 658 15.103 -2.560 -1.438 1.00 20.17 N ATOM 323 CA PRO A 658 14.548 -3.180 -0.228 1.00 22.67 C ATOM 324 C PRO A 658 13.653 -4.370 -0.540 1.00 23.74 C ATOM 325 O PRO A 658 12.485 -4.204 -0.910 1.00 23.43 O ATOM 326 CB PRO A 658 13.764 -2.036 0.429 1.00 22.19 C ATOM 327 CG PRO A 658 13.394 -1.133 -0.716 1.00 25.62 C ATOM 328 CD PRO A 658 14.534 -1.223 -1.696 1.00 20.52 C ATOM 329 N LEU A 659 14.196 -5.581 -0.366 1.00 21.61 N ATOM 330 CA LEU A 659 13.489 -6.782 -0.802 1.00 24.66 C ATOM 331 C LEU A 659 12.194 -7.004 -0.033 1.00 29.88 C ATOM 332 O LEU A 659 11.277 -7.650 -0.552 1.00 30.09 O ATOM 333 CB LEU A 659 14.402 -8.004 -0.702 1.00 23.20 C ATOM 334 CG LEU A 659 15.631 -7.969 -1.612 1.00 21.89 C ATOM 335 CD1 LEU A 659 16.414 -9.274 -1.442 1.00 26.80 C ATOM 336 CD2 LEU A 659 15.260 -7.747 -3.073 1.00 20.97 C ATOM 337 H LEU A 659 15.130 -5.667 0.084 1.00 0.00 H ATOM 338 N SER A 660 12.096 -6.486 1.196 1.00 25.87 N ATOM 339 CA SER A 660 10.848 -6.604 1.945 1.00 27.65 C ATOM 340 C SER A 660 9.707 -5.865 1.257 1.00 26.70 C ATOM 341 O SER A 660 8.549 -6.290 1.345 1.00 30.51 O ATOM 342 CB SER A 660 11.027 -6.085 3.373 1.00 33.91 C ATOM 343 OG SER A 660 11.321 -4.698 3.377 1.00 38.44 O ATOM 344 HG SER A 660 12.158 -4.538 2.873 1.00 0.00 H ATOM 345 H SER A 660 12.911 -5.998 1.619 1.00 0.00 H ATOM 346 N GLU A 661 10.010 -4.763 0.569 1.00 30.85 N ATOM 347 CA GLU A 661 8.990 -4.014 -0.152 1.00 29.22 C ATOM 348 C GLU A 661 8.750 -4.552 -1.553 1.00 29.92 C ATOM 349 O GLU A 661 7.718 -4.236 -2.161 1.00 30.42 O ATOM 350 CB GLU A 661 9.398 -2.541 -0.257 1.00 33.64 C ATOM 351 CG GLU A 661 9.722 -1.880 1.076 1.00 45.32 C ATOM 352 CD GLU A 661 10.144 -0.425 0.927 1.00 53.22 C ATOM 353 OE1 GLU A 661 9.794 0.200 -0.097 1.00 55.73 O ATOM 354 OE2 GLU A 661 10.832 0.092 1.834 1.00 55.81 O ATOM 355 H GLU A 661 10.996 -4.432 0.547 1.00 0.00 H ATOM 356 N VAL A 662 9.676 -5.348 -2.080 1.00 27.33 N ATOM 357 CA VAL A 662 9.614 -5.804 -3.466 1.00 28.33 C ATOM 358 C VAL A 662 9.830 -7.314 -3.500 1.00 25.21 C ATOM 359 O VAL A 662 10.856 -7.780 -4.017 1.00 26.73 O ATOM 360 CB VAL A 662 10.662 -5.072 -4.324 1.00 31.39 C ATOM 361 CG1 VAL A 662 10.294 -5.148 -5.774 1.00 34.44 C ATOM 362 CG2 VAL A 662 10.814 -3.615 -3.895 1.00 30.01 C ATOM 363 H VAL A 662 10.471 -5.656 -1.485 1.00 0.00 H ATOM 364 N PRO A 663 8.901 -8.117 -2.973 1.00 29.49 N ATOM 365 CA PRO A 663 9.161 -9.563 -2.862 1.00 29.38 C ATOM 366 C PRO A 663 9.309 -10.282 -4.193 1.00 32.60 C ATOM 367 O PRO A 663 9.800 -11.420 -4.207 1.00 31.50 O ATOM 368 CB PRO A 663 7.958 -10.081 -2.062 1.00 32.04 C ATOM 369 CG PRO A 663 6.887 -9.069 -2.298 1.00 33.07 C ATOM 370 CD PRO A 663 7.588 -7.747 -2.421 1.00 31.64 C ATOM 371 N ASP A 664 8.914 -9.669 -5.310 1.00 29.68 N ATOM 372 CA ASP A 664 9.107 -10.296 -6.611 1.00 28.45 C ATOM 373 C ASP A 664 10.398 -9.870 -7.296 1.00 26.83 C ATOM 374 O ASP A 664 10.669 -10.328 -8.410 1.00 27.14 O ATOM 375 CB ASP A 664 7.893 -10.070 -7.530 1.00 28.68 C ATOM 376 CG ASP A 664 7.787 -8.642 -8.050 1.00 33.33 C ATOM 377 OD1 ASP A 664 8.437 -7.727 -7.501 1.00 27.23 O ATOM 378 OD2 ASP A 664 7.024 -8.431 -9.017 1.00 34.65 O ATOM 379 H ASP A 664 8.463 -8.733 -5.252 1.00 0.00 H ATOM 380 N TYR A 665 11.206 -9.027 -6.646 1.00 23.58 N ATOM 381 CA TYR A 665 12.402 -8.483 -7.286 1.00 21.11 C ATOM 382 C TYR A 665 13.336 -9.594 -7.745 1.00 24.33 C ATOM 383 O TYR A 665 13.842 -9.570 -8.874 1.00 22.95 O ATOM 384 CB TYR A 665 13.122 -7.545 -6.315 1.00 20.95 C ATOM 385 CG TYR A 665 14.205 -6.714 -6.970 1.00 17.45 C ATOM 386 CD1 TYR A 665 13.878 -5.698 -7.865 1.00 17.65 C ATOM 387 CD2 TYR A 665 15.549 -6.933 -6.696 1.00 18.35 C ATOM 388 CE1 TYR A 665 14.860 -4.925 -8.470 1.00 16.61 C ATOM 389 CE2 TYR A 665 16.539 -6.165 -7.300 1.00 14.81 C ATOM 390 CZ TYR A 665 16.187 -5.167 -8.187 1.00 14.22 C ATOM 391 OH TYR A 665 17.164 -4.410 -8.791 1.00 16.11 O ATOM 392 HH TYR A 665 16.741 -3.746 -9.392 1.00 0.00 H ATOM 393 H TYR A 665 10.980 -8.754 -5.668 1.00 0.00 H ATOM 394 N LEU A 666 13.574 -10.585 -6.881 1.00 23.35 N ATOM 395 CA LEU A 666 14.501 -11.653 -7.219 1.00 24.97 C ATOM 396 C LEU A 666 13.931 -12.628 -8.240 1.00 30.02 C ATOM 397 O LEU A 666 14.691 -13.441 -8.778 1.00 32.32 O ATOM 398 CB LEU A 666 14.951 -12.389 -5.953 1.00 28.51 C ATOM 399 CG LEU A 666 15.776 -11.534 -4.988 1.00 24.94 C ATOM 400 CD1 LEU A 666 16.248 -12.357 -3.803 1.00 26.58 C ATOM 401 CD2 LEU A 666 16.954 -10.892 -5.703 1.00 28.00 C ATOM 402 H LEU A 666 13.092 -10.593 -5.959 1.00 0.00 H ATOM 403 N ASP A 667 12.625 -12.568 -8.516 1.00 28.01 N ATOM 404 CA ASP A 667 12.070 -13.330 -9.630 1.00 33.28 C ATOM 405 C ASP A 667 12.615 -12.829 -10.959 1.00 39.76 C ATOM 406 O ASP A 667 12.795 -13.617 -11.893 1.00 45.04 O ATOM 407 CB ASP A 667 10.544 -13.213 -9.653 1.00 36.79 C ATOM 408 CG ASP A 667 9.892 -13.661 -8.357 1.00 42.86 C ATOM 409 OD1 ASP A 667 10.488 -14.484 -7.630 1.00 43.92 O ATOM 410 OD2 ASP A 667 8.767 -13.195 -8.077 1.00 47.60 O ATOM 411 H ASP A 667 12.000 -11.975 -7.933 1.00 0.00 H ATOM 412 N HIS A 668 12.874 -11.526 -11.060 1.00 31.45 N ATOM 413 CA HIS A 668 13.336 -10.904 -12.292 1.00 33.61 C ATOM 414 C HIS A 668 14.837 -10.656 -12.313 1.00 31.75 C ATOM 415 O HIS A 668 15.454 -10.744 -13.380 1.00 35.88 O ATOM 416 CB HIS A 668 12.633 -9.555 -12.494 1.00 37.62 C ATOM 417 CG HIS A 668 11.140 -9.650 -12.565 1.00 45.95 C ATOM 418 ND1 HIS A 668 10.345 -9.743 -11.443 1.00 48.38 N ATOM 419 CD2 HIS A 668 10.297 -9.659 -13.625 1.00 50.04 C ATOM 420 CE1 HIS A 668 9.077 -9.810 -11.807 1.00 49.01 C ATOM 421 NE2 HIS A 668 9.020 -9.761 -13.126 1.00 51.47 N ATOM 422 H HIS A 668 12.740 -10.926 -10.221 1.00 0.00 H ATOM 423 N ILE A 669 15.437 -10.367 -11.162 1.00 26.61 N ATOM 424 CA ILE A 669 16.796 -9.840 -11.076 1.00 22.64 C ATOM 425 C ILE A 669 17.686 -10.888 -10.420 1.00 24.59 C ATOM 426 O ILE A 669 17.495 -11.224 -9.246 1.00 27.52 O ATOM 427 CB ILE A 669 16.819 -8.532 -10.276 1.00 20.77 C ATOM 428 CG1 ILE A 669 15.895 -7.491 -10.922 1.00 21.81 C ATOM 429 CG2 ILE A 669 18.239 -8.029 -10.156 1.00 17.75 C ATOM 430 CD1 ILE A 669 16.253 -7.193 -12.363 1.00 21.49 C ATOM 431 H ILE A 669 14.912 -10.524 -10.278 1.00 0.00 H ATOM 432 N LYS A 670 18.688 -11.369 -11.157 1.00 24.79 N ATOM 433 CA LYS A 670 19.511 -12.451 -10.626 1.00 25.60 C ATOM 434 C LYS A 670 20.636 -11.956 -9.720 1.00 24.34 C ATOM 435 O LYS A 670 21.047 -12.685 -8.811 1.00 26.32 O ATOM 436 CB LYS A 670 20.029 -13.357 -11.748 1.00 41.45 C ATOM 437 CG LYS A 670 21.383 -12.982 -12.315 1.00 46.97 C ATOM 438 CD LYS A 670 21.853 -14.022 -13.326 1.00 53.33 C ATOM 439 CE LYS A 670 23.277 -13.749 -13.781 1.00 54.13 C ATOM 440 H LYS A 670 18.881 -10.977 -12.101 1.00 0.00 H ATOM 441 N LYS A 671 21.140 -10.739 -9.923 1.00 22.16 N ATOM 442 CA LYS A 671 22.199 -10.199 -9.069 1.00 21.16 C ATOM 443 C LYS A 671 21.918 -8.745 -8.737 1.00 17.34 C ATOM 444 O LYS A 671 22.321 -7.834 -9.474 1.00 17.29 O ATOM 445 CB LYS A 671 23.586 -10.360 -9.691 1.00 25.30 C ATOM 446 CG LYS A 671 24.696 -9.964 -8.727 1.00 27.49 C ATOM 447 CD LYS A 671 26.082 -10.207 -9.293 1.00 29.49 C ATOM 448 CE LYS A 671 27.134 -9.629 -8.362 1.00 34.91 C ATOM 449 NZ LYS A 671 28.514 -9.809 -8.888 1.00 39.98 N ATOM 450 HZ1 LYS A 671 28.709 -10.824 -9.005 1.00 0.00 H ATOM 451 HZ2 LYS A 671 28.599 -9.330 -9.807 1.00 0.00 H ATOM 452 HZ3 LYS A 671 29.195 -9.399 -8.218 1.00 0.00 H ATOM 453 H LYS A 671 20.773 -10.160 -10.705 1.00 0.00 H ATOM 454 N PRO A 672 21.239 -8.484 -7.622 1.00 16.59 N ATOM 455 CA PRO A 672 21.048 -7.098 -7.184 1.00 15.60 C ATOM 456 C PRO A 672 22.392 -6.415 -6.980 1.00 16.15 C ATOM 457 O PRO A 672 23.399 -7.058 -6.679 1.00 17.15 O ATOM 458 CB PRO A 672 20.301 -7.246 -5.854 1.00 16.75 C ATOM 459 CG PRO A 672 19.617 -8.585 -5.939 1.00 21.73 C ATOM 460 CD PRO A 672 20.558 -9.457 -6.741 1.00 20.49 C ATOM 461 N MET A 673 22.401 -5.094 -7.137 1.00 14.83 N ATOM 462 CA MET A 673 23.608 -4.311 -6.904 1.00 13.44 C ATOM 463 C MET A 673 23.219 -2.891 -6.519 1.00 13.51 C ATOM 464 O MET A 673 22.150 -2.402 -6.893 1.00 14.48 O ATOM 465 CB MET A 673 24.555 -4.341 -8.116 1.00 13.64 C ATOM 466 CG MET A 673 25.934 -3.711 -7.892 1.00 14.62 C ATOM 467 SD MET A 673 26.813 -4.323 -6.427 1.00 14.09 S ATOM 468 CE MET A 673 26.835 -6.089 -6.739 1.00 15.11 C ATOM 469 H MET A 673 21.529 -4.610 -7.432 1.00 0.00 H ATOM 470 N ASP A 674 24.101 -2.228 -5.770 1.00 11.83 N ATOM 471 CA ASP A 674 23.867 -0.871 -5.285 1.00 11.57 C ATOM 472 C ASP A 674 25.217 -0.280 -4.887 1.00 12.90 C ATOM 473 O ASP A 674 26.219 -0.992 -4.796 1.00 14.07 O ATOM 474 CB ASP A 674 22.936 -0.904 -4.073 1.00 14.20 C ATOM 475 CG ASP A 674 23.578 -1.598 -2.896 1.00 16.02 C ATOM 476 OD1 ASP A 674 23.536 -2.848 -2.846 1.00 17.18 O ATOM 477 OD2 ASP A 674 24.171 -0.906 -2.046 1.00 16.37 O ATOM 478 H ASP A 674 24.994 -2.698 -5.521 1.00 0.00 H ATOM 479 N PHE A 675 25.234 1.026 -4.610 1.00 12.42 N ATOM 480 CA PHE A 675 26.518 1.680 -4.365 1.00 13.90 C ATOM 481 C PHE A 675 27.139 1.297 -3.023 1.00 13.68 C ATOM 482 O PHE A 675 28.372 1.294 -2.903 1.00 15.68 O ATOM 483 CB PHE A 675 26.380 3.194 -4.456 1.00 13.33 C ATOM 484 CG PHE A 675 26.191 3.719 -5.852 1.00 12.62 C ATOM 485 CD1 PHE A 675 27.032 3.347 -6.892 1.00 14.22 C ATOM 486 CD2 PHE A 675 25.175 4.634 -6.115 1.00 13.59 C ATOM 487 CE1 PHE A 675 26.854 3.879 -8.173 1.00 13.73 C ATOM 488 CE2 PHE A 675 25.003 5.159 -7.385 1.00 14.96 C ATOM 489 CZ PHE A 675 25.832 4.798 -8.402 1.00 13.73 C ATOM 490 H PHE A 675 24.348 1.569 -4.569 1.00 0.00 H ATOM 491 N PHE A 676 26.333 0.995 -1.999 1.00 14.33 N ATOM 492 CA PHE A 676 26.906 0.566 -0.728 1.00 16.19 C ATOM 493 C PHE A 676 27.621 -0.765 -0.894 1.00 16.37 C ATOM 494 O PHE A 676 28.755 -0.941 -0.428 1.00 16.62 O ATOM 495 CB PHE A 676 25.820 0.479 0.350 1.00 17.39 C ATOM 496 CG PHE A 676 26.348 0.126 1.712 1.00 22.48 C ATOM 497 CD1 PHE A 676 26.889 1.104 2.528 1.00 26.72 C ATOM 498 CD2 PHE A 676 26.309 -1.181 2.172 1.00 26.58 C ATOM 499 CE1 PHE A 676 27.381 0.789 3.779 1.00 33.09 C ATOM 500 CE2 PHE A 676 26.803 -1.506 3.424 1.00 28.62 C ATOM 501 CZ PHE A 676 27.340 -0.519 4.224 1.00 31.50 C ATOM 502 H PHE A 676 25.301 1.066 -2.109 1.00 0.00 H ATOM 503 N THR A 677 26.971 -1.713 -1.574 1.00 15.17 N ATOM 504 CA THR A 677 27.608 -2.995 -1.851 1.00 15.70 C ATOM 505 C THR A 677 28.879 -2.805 -2.665 1.00 14.02 C ATOM 506 O THR A 677 29.892 -3.469 -2.409 1.00 14.95 O ATOM 507 CB THR A 677 26.612 -3.900 -2.567 1.00 15.65 C ATOM 508 OG1 THR A 677 25.477 -4.089 -1.719 1.00 16.91 O ATOM 509 CG2 THR A 677 27.206 -5.260 -2.842 1.00 14.88 C ATOM 510 HG1 THR A 677 25.767 -4.510 -0.871 1.00 0.00 H ATOM 511 H THR A 677 26.002 -1.535 -1.909 1.00 0.00 H ATOM 512 N MET A 678 28.857 -1.890 -3.638 1.00 13.25 N ATOM 513 CA MET A 678 30.068 -1.617 -4.411 1.00 13.35 C ATOM 514 C MET A 678 31.189 -1.105 -3.521 1.00 14.12 C ATOM 515 O MET A 678 32.347 -1.503 -3.685 1.00 14.64 O ATOM 516 CB MET A 678 29.788 -0.605 -5.520 1.00 12.91 C ATOM 517 CG MET A 678 28.982 -1.190 -6.664 1.00 12.22 C ATOM 518 SD MET A 678 28.934 -0.091 -8.104 1.00 13.18 S ATOM 519 CE MET A 678 30.645 -0.147 -8.625 1.00 12.17 C ATOM 520 H MET A 678 27.979 -1.372 -3.846 1.00 0.00 H ATOM 521 N LYS A 679 30.869 -0.207 -2.587 1.00 14.37 N ATOM 522 CA LYS A 679 31.876 0.292 -1.659 1.00 15.45 C ATOM 523 C LYS A 679 32.454 -0.845 -0.829 1.00 15.52 C ATOM 524 O LYS A 679 33.670 -0.900 -0.594 1.00 15.66 O ATOM 525 CB LYS A 679 31.263 1.366 -0.754 1.00 15.38 C ATOM 526 CG LYS A 679 32.170 1.837 0.365 1.00 19.70 C ATOM 527 CD LYS A 679 33.408 2.548 -0.136 1.00 22.32 C ATOM 528 CE LYS A 679 34.119 3.210 1.046 1.00 31.12 C ATOM 529 NZ LYS A 679 35.401 3.846 0.671 1.00 32.45 N ATOM 530 HZ1 LYS A 679 36.042 3.127 0.280 1.00 0.00 H ATOM 531 HZ2 LYS A 679 35.226 4.581 -0.044 1.00 0.00 H ATOM 532 HZ3 LYS A 679 35.833 4.276 1.514 1.00 0.00 H ATOM 533 H LYS A 679 29.891 0.140 -2.521 1.00 0.00 H ATOM 534 N GLN A 680 31.609 -1.772 -0.371 1.00 15.43 N ATOM 535 CA GLN A 680 32.118 -2.891 0.416 1.00 16.72 C ATOM 536 C GLN A 680 32.994 -3.808 -0.431 1.00 16.46 C ATOM 537 O GLN A 680 34.017 -4.309 0.047 1.00 17.25 O ATOM 538 CB GLN A 680 30.970 -3.682 1.042 1.00 20.93 C ATOM 539 CG GLN A 680 29.874 -2.838 1.684 1.00 22.13 C ATOM 540 CD GLN A 680 30.403 -1.804 2.655 1.00 24.82 C ATOM 541 OE1 GLN A 680 31.029 -2.139 3.662 1.00 25.75 O ATOM 542 NE2 GLN A 680 30.148 -0.534 2.358 1.00 25.53 N ATOM 543 HE22 GLN A 680 29.615 -0.298 1.496 1.00 0.00 H ATOM 544 HE21 GLN A 680 30.481 0.224 2.987 1.00 0.00 H ATOM 545 H GLN A 680 30.592 -1.697 -0.574 1.00 0.00 H ATOM 546 N ASN A 681 32.606 -4.041 -1.688 1.00 16.65 N ATOM 547 CA ASN A 681 33.436 -4.857 -2.570 1.00 15.72 C ATOM 548 C ASN A 681 34.774 -4.187 -2.838 1.00 14.84 C ATOM 549 O ASN A 681 35.820 -4.850 -2.848 1.00 15.35 O ATOM 550 CB ASN A 681 32.709 -5.119 -3.889 1.00 13.94 C ATOM 551 CG ASN A 681 31.527 -6.039 -3.725 1.00 15.63 C ATOM 552 OD1 ASN A 681 31.430 -6.784 -2.749 1.00 18.96 O ATOM 553 ND2 ASN A 681 30.617 -5.994 -4.685 1.00 16.44 N ATOM 554 HD22 ASN A 681 30.742 -5.348 -5.490 1.00 0.00 H ATOM 555 HD21 ASN A 681 29.777 -6.604 -4.634 1.00 0.00 H ATOM 556 H ASN A 681 31.712 -3.641 -2.039 1.00 0.00 H ATOM 557 N LEU A 682 34.758 -2.874 -3.058 1.00 14.85 N ATOM 558 CA LEU A 682 35.988 -2.128 -3.286 1.00 13.52 C ATOM 559 C LEU A 682 36.945 -2.301 -2.110 1.00 15.09 C ATOM 560 O LEU A 682 38.135 -2.612 -2.288 1.00 16.01 O ATOM 561 CB LEU A 682 35.627 -0.653 -3.486 1.00 14.52 C ATOM 562 CG LEU A 682 36.682 0.339 -3.987 1.00 14.78 C ATOM 563 CD1 LEU A 682 35.990 1.624 -4.405 1.00 16.06 C ATOM 564 CD2 LEU A 682 37.747 0.649 -2.945 1.00 18.03 C ATOM 565 H LEU A 682 33.848 -2.370 -3.067 1.00 0.00 H ATOM 566 N GLU A 683 36.449 -2.079 -0.892 1.00 14.87 N ATOM 567 CA GLU A 683 37.310 -2.153 0.280 1.00 17.42 C ATOM 568 C GLU A 683 37.719 -3.579 0.615 1.00 16.74 C ATOM 569 O GLU A 683 38.706 -3.768 1.335 1.00 20.44 O ATOM 570 CB GLU A 683 36.654 -1.488 1.492 1.00 18.99 C ATOM 571 CG GLU A 683 36.303 -0.016 1.296 1.00 20.09 C ATOM 572 CD GLU A 683 37.502 0.863 0.950 1.00 23.89 C ATOM 573 OE1 GLU A 683 38.654 0.479 1.227 1.00 23.57 O ATOM 574 OE2 GLU A 683 37.285 1.959 0.396 1.00 22.23 O ATOM 575 H GLU A 683 35.441 -1.852 -0.779 1.00 0.00 H ATOM 576 N ALA A 684 36.988 -4.581 0.120 1.00 16.57 N ATOM 577 CA ALA A 684 37.354 -5.983 0.291 1.00 18.86 C ATOM 578 C ALA A 684 38.304 -6.472 -0.792 1.00 20.68 C ATOM 579 O ALA A 684 38.582 -7.677 -0.861 1.00 21.47 O ATOM 580 CB ALA A 684 36.103 -6.864 0.328 1.00 21.52 C ATOM 581 H ALA A 684 36.122 -4.353 -0.409 1.00 0.00 H ATOM 582 N TYR A 685 38.802 -5.567 -1.639 1.00 17.06 N ATOM 583 CA TYR A 685 39.767 -5.897 -2.686 1.00 17.18 C ATOM 584 C TYR A 685 39.182 -6.825 -3.742 1.00 18.32 C ATOM 585 O TYR A 685 39.897 -7.643 -4.323 1.00 20.06 O ATOM 586 CB TYR A 685 41.072 -6.471 -2.121 1.00 19.51 C ATOM 587 CG TYR A 685 41.710 -5.612 -1.058 1.00 22.12 C ATOM 588 CD1 TYR A 685 42.393 -4.452 -1.394 1.00 25.33 C ATOM 589 CD2 TYR A 685 41.642 -5.968 0.283 1.00 30.11 C ATOM 590 CE1 TYR A 685 42.991 -3.666 -0.424 1.00 29.88 C ATOM 591 CE2 TYR A 685 42.231 -5.188 1.260 1.00 36.48 C ATOM 592 CZ TYR A 685 42.906 -4.038 0.900 1.00 37.34 C ATOM 593 OH TYR A 685 43.496 -3.257 1.869 1.00 40.46 O ATOM 594 HH TYR A 685 43.933 -2.478 1.442 1.00 0.00 H ATOM 595 H TYR A 685 38.488 -4.580 -1.549 1.00 0.00 H ATOM 596 N ARG A 686 37.888 -6.704 -4.003 1.00 17.62 N ATOM 597 CA ARG A 686 37.246 -7.524 -5.017 1.00 16.90 C ATOM 598 C ARG A 686 37.327 -6.914 -6.405 1.00 16.62 C ATOM 599 O ARG A 686 37.086 -7.625 -7.391 1.00 16.50 O ATOM 600 CB ARG A 686 35.793 -7.823 -4.628 1.00 19.99 C ATOM 601 CG ARG A 686 35.701 -8.595 -3.322 1.00 25.13 C ATOM 602 CD ARG A 686 34.299 -9.107 -3.042 1.00 32.36 C ATOM 603 NE ARG A 686 34.269 -9.775 -1.745 1.00 35.58 N ATOM 604 CZ ARG A 686 33.702 -9.274 -0.652 1.00 34.68 C ATOM 605 NH1 ARG A 686 33.086 -8.100 -0.695 1.00 29.80 N ATOM 606 NH2 ARG A 686 33.741 -9.958 0.484 1.00 36.43 N ATOM 607 HE ARG A 686 34.723 -10.708 -1.671 1.00 0.00 H ATOM 608 HH12 ARG A 686 32.644 -7.713 0.163 1.00 0.00 H ATOM 609 HH11 ARG A 686 33.045 -7.567 -1.587 1.00 0.00 H ATOM 610 HH22 ARG A 686 33.298 -9.569 1.341 1.00 0.00 H ATOM 611 HH21 ARG A 686 34.214 -10.883 0.518 1.00 0.00 H ATOM 612 H ARG A 686 37.322 -6.010 -3.473 1.00 0.00 H ATOM 613 N TYR A 687 37.685 -5.633 -6.503 1.00 14.90 N ATOM 614 CA TYR A 687 37.826 -4.929 -7.776 1.00 13.10 C ATOM 615 C TYR A 687 39.312 -4.677 -8.005 1.00 13.30 C ATOM 616 O TYR A 687 39.908 -3.793 -7.374 1.00 15.48 O ATOM 617 CB TYR A 687 37.078 -3.598 -7.766 1.00 13.63 C ATOM 618 CG TYR A 687 35.589 -3.659 -7.522 1.00 12.65 C ATOM 619 CD1 TYR A 687 34.827 -4.763 -7.889 1.00 15.38 C ATOM 620 CD2 TYR A 687 34.947 -2.592 -6.910 1.00 14.35 C ATOM 621 CE1 TYR A 687 33.447 -4.792 -7.666 1.00 15.02 C ATOM 622 CE2 TYR A 687 33.580 -2.621 -6.680 1.00 13.70 C ATOM 623 CZ TYR A 687 32.844 -3.708 -7.065 1.00 15.06 C ATOM 624 OH TYR A 687 31.488 -3.707 -6.818 1.00 14.37 O ATOM 625 HH TYR A 687 31.093 -4.552 -7.149 1.00 0.00 H ATOM 626 H TYR A 687 37.874 -5.107 -5.626 1.00 0.00 H ATOM 627 N LEU A 688 39.903 -5.419 -8.932 1.00 12.98 N ATOM 628 CA LEU A 688 41.328 -5.297 -9.224 1.00 13.49 C ATOM 629 C LEU A 688 41.598 -4.807 -10.635 1.00 12.60 C ATOM 630 O LEU A 688 42.762 -4.579 -10.993 1.00 14.36 O ATOM 631 CB LEU A 688 42.057 -6.624 -8.974 1.00 13.84 C ATOM 632 CG LEU A 688 41.949 -7.094 -7.523 1.00 14.71 C ATOM 633 CD1 LEU A 688 42.675 -8.416 -7.328 1.00 18.06 C ATOM 634 CD2 LEU A 688 42.499 -6.052 -6.578 1.00 16.70 C ATOM 635 H LEU A 688 39.335 -6.107 -9.466 1.00 0.00 H ATOM 636 N ASN A 689 40.563 -4.647 -11.446 1.00 12.74 N ATOM 637 CA ASN A 689 40.672 -4.014 -12.748 1.00 12.44 C ATOM 638 C ASN A 689 39.420 -3.172 -12.955 1.00 13.19 C ATOM 639 O ASN A 689 38.425 -3.304 -12.232 1.00 11.53 O ATOM 640 CB ASN A 689 40.916 -5.027 -13.882 1.00 12.53 C ATOM 641 CG ASN A 689 39.939 -6.188 -13.846 1.00 12.57 C ATOM 642 OD1 ASN A 689 40.334 -7.351 -13.661 1.00 16.66 O ATOM 643 ND2 ASN A 689 38.672 -5.891 -14.024 1.00 11.87 N ATOM 644 HD22 ASN A 689 38.386 -4.903 -14.176 1.00 0.00 H ATOM 645 HD21 ASN A 689 37.955 -6.644 -14.013 1.00 0.00 H ATOM 646 H ASN A 689 39.631 -4.990 -11.136 1.00 0.00 H ATOM 647 N PHE A 690 39.462 -2.292 -13.953 1.00 11.95 N ATOM 648 CA PHE A 690 38.349 -1.373 -14.091 1.00 11.86 C ATOM 649 C PHE A 690 37.068 -2.091 -14.477 1.00 11.47 C ATOM 650 O PHE A 690 35.986 -1.697 -14.021 1.00 11.74 O ATOM 651 CB PHE A 690 38.658 -0.255 -15.080 1.00 13.02 C ATOM 652 CG PHE A 690 37.864 0.970 -14.806 1.00 13.74 C ATOM 653 CD1 PHE A 690 38.312 1.894 -13.880 1.00 16.30 C ATOM 654 CD2 PHE A 690 36.633 1.174 -15.406 1.00 13.67 C ATOM 655 CE1 PHE A 690 37.570 3.020 -13.588 1.00 16.25 C ATOM 656 CE2 PHE A 690 35.889 2.304 -15.117 1.00 13.33 C ATOM 657 CZ PHE A 690 36.349 3.221 -14.203 1.00 15.50 C ATOM 658 H PHE A 690 40.266 -2.265 -14.612 1.00 0.00 H ATOM 659 N ASP A 691 37.160 -3.143 -15.292 1.00 10.86 N ATOM 660 CA ASP A 691 35.971 -3.916 -15.651 1.00 12.40 C ATOM 661 C ASP A 691 35.253 -4.465 -14.422 1.00 12.65 C ATOM 662 O ASP A 691 34.018 -4.513 -14.404 1.00 13.50 O ATOM 663 CB ASP A 691 36.340 -5.080 -16.564 1.00 14.64 C ATOM 664 CG ASP A 691 36.464 -4.694 -18.019 1.00 19.71 C ATOM 665 OD1 ASP A 691 36.201 -3.528 -18.381 1.00 18.85 O ATOM 666 OD2 ASP A 691 36.804 -5.595 -18.815 1.00 22.64 O ATOM 667 H ASP A 691 38.087 -3.417 -15.676 1.00 0.00 H ATOM 668 N ASP A 692 35.993 -4.935 -13.408 1.00 11.75 N ATOM 669 CA ASP A 692 35.337 -5.453 -12.203 1.00 13.31 C ATOM 670 C ASP A 692 34.394 -4.412 -11.626 1.00 12.36 C ATOM 671 O ASP A 692 33.267 -4.723 -11.224 1.00 13.68 O ATOM 672 CB ASP A 692 36.364 -5.772 -11.109 1.00 12.69 C ATOM 673 CG ASP A 692 37.228 -6.984 -11.399 1.00 14.22 C ATOM 674 OD1 ASP A 692 36.811 -7.904 -12.135 1.00 14.07 O ATOM 675 OD2 ASP A 692 38.346 -7.026 -10.829 1.00 13.25 O ATOM 676 H ASP A 692 37.031 -4.932 -13.476 1.00 0.00 H ATOM 677 N PHE A 693 34.861 -3.170 -11.564 1.00 10.00 N ATOM 678 CA PHE A 693 34.098 -2.068 -10.993 1.00 10.09 C ATOM 679 C PHE A 693 32.941 -1.682 -11.910 1.00 12.32 C ATOM 680 O PHE A 693 31.785 -1.593 -11.470 1.00 11.13 O ATOM 681 CB PHE A 693 35.075 -0.907 -10.808 1.00 11.65 C ATOM 682 CG PHE A 693 34.471 0.350 -10.263 1.00 10.87 C ATOM 683 CD1 PHE A 693 34.327 0.527 -8.898 1.00 12.59 C ATOM 684 CD2 PHE A 693 34.116 1.392 -11.114 1.00 12.24 C ATOM 685 CE1 PHE A 693 33.800 1.703 -8.383 1.00 12.84 C ATOM 686 CE2 PHE A 693 33.585 2.578 -10.601 1.00 13.83 C ATOM 687 CZ PHE A 693 33.434 2.725 -9.241 1.00 12.59 C ATOM 688 H PHE A 693 35.811 -2.976 -11.939 1.00 0.00 H ATOM 689 N GLU A 694 33.227 -1.484 -13.201 1.00 10.85 N ATOM 690 CA GLU A 694 32.197 -1.020 -14.120 1.00 12.39 C ATOM 691 C GLU A 694 31.098 -2.058 -14.301 1.00 12.76 C ATOM 692 O GLU A 694 29.938 -1.688 -14.521 1.00 13.44 O ATOM 693 CB GLU A 694 32.835 -0.590 -15.450 1.00 12.82 C ATOM 694 CG GLU A 694 31.829 0.008 -16.436 1.00 13.61 C ATOM 695 CD GLU A 694 32.448 0.906 -17.494 1.00 20.61 C ATOM 696 OE1 GLU A 694 33.669 1.166 -17.435 1.00 19.81 O ATOM 697 OE2 GLU A 694 31.692 1.362 -18.391 1.00 24.51 O ATOM 698 H GLU A 694 34.190 -1.662 -13.551 1.00 0.00 H ATOM 699 N GLU A 695 31.423 -3.347 -14.207 1.00 12.57 N ATOM 700 CA GLU A 695 30.400 -4.381 -14.348 1.00 12.37 C ATOM 701 C GLU A 695 29.356 -4.274 -13.248 1.00 13.32 C ATOM 702 O GLU A 695 28.160 -4.468 -13.499 1.00 12.73 O ATOM 703 CB GLU A 695 31.050 -5.766 -14.332 1.00 16.05 C ATOM 704 CG GLU A 695 30.109 -6.923 -14.666 1.00 32.29 C ATOM 705 CD GLU A 695 30.759 -8.287 -14.469 1.00 45.00 C ATOM 706 OE1 GLU A 695 30.991 -8.675 -13.303 1.00 41.20 O ATOM 707 OE2 GLU A 695 31.040 -8.964 -15.482 1.00 49.63 O ATOM 708 H GLU A 695 32.411 -3.619 -14.032 1.00 0.00 H ATOM 709 N ASP A 696 29.777 -3.981 -12.021 1.00 12.29 N ATOM 710 CA ASP A 696 28.803 -3.799 -10.951 1.00 13.17 C ATOM 711 C ASP A 696 28.002 -2.515 -11.137 1.00 13.72 C ATOM 712 O ASP A 696 26.795 -2.492 -10.870 1.00 12.29 O ATOM 713 CB ASP A 696 29.464 -3.891 -9.568 1.00 13.75 C ATOM 714 CG ASP A 696 29.579 -5.325 -9.073 1.00 15.76 C ATOM 715 OD1 ASP A 696 28.955 -6.226 -9.695 1.00 17.79 O ATOM 716 OD2 ASP A 696 30.269 -5.545 -8.051 1.00 15.11 O ATOM 717 H ASP A 696 30.794 -3.882 -11.826 1.00 0.00 H ATOM 718 N PHE A 697 28.642 -1.434 -11.588 1.00 11.04 N ATOM 719 CA PHE A 697 27.869 -0.252 -11.945 1.00 11.24 C ATOM 720 C PHE A 697 26.818 -0.593 -12.993 1.00 11.68 C ATOM 721 O PHE A 697 25.660 -0.169 -12.891 1.00 11.34 O ATOM 722 CB PHE A 697 28.796 0.853 -12.449 1.00 11.88 C ATOM 723 CG PHE A 697 28.064 2.021 -13.051 1.00 10.76 C ATOM 724 CD1 PHE A 697 27.559 3.025 -12.248 1.00 12.74 C ATOM 725 CD2 PHE A 697 27.866 2.092 -14.418 1.00 13.85 C ATOM 726 CE1 PHE A 697 26.861 4.110 -12.804 1.00 13.14 C ATOM 727 CE2 PHE A 697 27.169 3.160 -14.981 1.00 13.28 C ATOM 728 CZ PHE A 697 26.686 4.171 -14.175 1.00 12.56 C ATOM 729 H PHE A 697 29.678 -1.436 -11.683 1.00 0.00 H ATOM 730 N ASN A 698 27.200 -1.366 -14.015 1.00 10.91 N ATOM 731 CA ASN A 698 26.248 -1.670 -15.077 1.00 10.83 C ATOM 732 C ASN A 698 25.088 -2.492 -14.554 1.00 12.41 C ATOM 733 O ASN A 698 23.971 -2.379 -15.074 1.00 13.55 O ATOM 734 CB ASN A 698 26.932 -2.396 -16.232 1.00 12.21 C ATOM 735 CG ASN A 698 27.849 -1.502 -17.030 1.00 12.68 C ATOM 736 OD1 ASN A 698 27.719 -0.280 -17.031 1.00 14.59 O ATOM 737 ND2 ASN A 698 28.793 -2.121 -17.731 1.00 14.59 N ATOM 738 HD22 ASN A 698 28.867 -3.158 -17.701 1.00 0.00 H ATOM 739 HD21 ASN A 698 29.458 -1.569 -18.309 1.00 0.00 H ATOM 740 H ASN A 698 28.167 -1.747 -14.052 1.00 0.00 H ATOM 741 N LEU A 699 25.321 -3.315 -13.527 1.00 11.60 N ATOM 742 CA LEU A 699 24.233 -4.064 -12.913 1.00 13.95 C ATOM 743 C LEU A 699 23.229 -3.132 -12.255 1.00 13.55 C ATOM 744 O LEU A 699 22.019 -3.351 -12.356 1.00 13.47 O ATOM 745 CB LEU A 699 24.780 -5.022 -11.863 1.00 14.99 C ATOM 746 CG LEU A 699 25.237 -6.390 -12.319 1.00 21.36 C ATOM 747 CD1 LEU A 699 25.737 -7.128 -11.096 1.00 19.68 C ATOM 748 CD2 LEU A 699 24.063 -7.123 -12.960 1.00 21.92 C ATOM 749 H LEU A 699 26.289 -3.422 -13.162 1.00 0.00 H ATOM 750 N ILE A 700 23.705 -2.105 -11.547 1.00 12.53 N ATOM 751 CA ILE A 700 22.789 -1.131 -10.953 1.00 12.09 C ATOM 752 C ILE A 700 21.849 -0.597 -12.016 1.00 10.86 C ATOM 753 O ILE A 700 20.621 -0.573 -11.843 1.00 12.43 O ATOM 754 CB ILE A 700 23.579 0.013 -10.298 1.00 11.43 C ATOM 755 CG1 ILE A 700 24.412 -0.523 -9.129 1.00 13.08 C ATOM 756 CG2 ILE A 700 22.617 1.100 -9.821 1.00 12.42 C ATOM 757 CD1 ILE A 700 25.276 0.537 -8.463 1.00 13.61 C ATOM 758 H ILE A 700 24.731 -1.997 -11.417 1.00 0.00 H ATOM 759 N VAL A 701 22.420 -0.183 -13.144 1.00 11.19 N ATOM 760 CA VAL A 701 21.645 0.399 -14.231 1.00 12.29 C ATOM 761 C VAL A 701 20.721 -0.638 -14.848 1.00 10.81 C ATOM 762 O VAL A 701 19.508 -0.412 -14.966 1.00 11.22 O ATOM 763 CB VAL A 701 22.585 1.001 -15.290 1.00 10.04 C ATOM 764 CG1 VAL A 701 21.811 1.332 -16.547 1.00 13.86 C ATOM 765 CG2 VAL A 701 23.319 2.219 -14.747 1.00 12.76 C ATOM 766 H VAL A 701 23.450 -0.278 -13.253 1.00 0.00 H ATOM 767 N SER A 702 21.274 -1.782 -15.277 1.00 11.09 N ATOM 768 CA SER A 702 20.482 -2.749 -16.036 1.00 10.59 C ATOM 769 C SER A 702 19.374 -3.360 -15.189 1.00 12.47 C ATOM 770 O SER A 702 18.268 -3.611 -15.690 1.00 12.77 O ATOM 771 CB SER A 702 21.371 -3.834 -16.657 1.00 11.88 C ATOM 772 OG SER A 702 22.018 -4.642 -15.682 1.00 12.39 O ATOM 773 HG SER A 702 22.576 -5.322 -16.136 1.00 0.00 H ATOM 774 H SER A 702 22.273 -1.983 -15.068 1.00 0.00 H ATOM 775 N ASN A 703 19.649 -3.626 -13.907 1.00 12.19 N ATOM 776 CA ASN A 703 18.606 -4.173 -13.049 1.00 13.14 C ATOM 777 C ASN A 703 17.430 -3.218 -12.980 1.00 11.96 C ATOM 778 O ASN A 703 16.266 -3.645 -12.995 1.00 12.52 O ATOM 779 CB ASN A 703 19.131 -4.381 -11.632 1.00 12.83 C ATOM 780 CG ASN A 703 20.108 -5.518 -11.512 1.00 13.91 C ATOM 781 OD1 ASN A 703 20.224 -6.383 -12.390 1.00 15.43 O ATOM 782 ND2 ASN A 703 20.800 -5.543 -10.386 1.00 15.46 N ATOM 783 HD22 ASN A 703 20.668 -4.793 -9.678 1.00 0.00 H ATOM 784 HD21 ASN A 703 21.477 -6.313 -10.208 1.00 0.00 H ATOM 785 H ASN A 703 20.599 -3.444 -13.526 1.00 0.00 H ATOM 786 N CYS A 704 17.723 -1.922 -12.889 1.00 10.85 N ATOM 787 CA CYS A 704 16.687 -0.911 -12.730 1.00 10.78 C ATOM 788 C CYS A 704 15.877 -0.730 -14.011 1.00 11.24 C ATOM 789 O CYS A 704 14.643 -0.615 -13.960 1.00 11.06 O ATOM 790 CB CYS A 704 17.335 0.399 -12.280 1.00 9.74 C ATOM 791 SG CYS A 704 16.168 1.712 -11.858 1.00 12.32 S ATOM 792 H CYS A 704 18.718 -1.624 -12.933 1.00 0.00 H ATOM 793 N LEU A 705 16.540 -0.740 -15.169 1.00 10.90 N ATOM 794 CA LEU A 705 15.823 -0.734 -16.439 1.00 11.19 C ATOM 795 C LEU A 705 14.954 -1.973 -16.581 1.00 12.17 C ATOM 796 O LEU A 705 13.835 -1.901 -17.096 1.00 12.36 O ATOM 797 CB LEU A 705 16.822 -0.668 -17.601 1.00 10.53 C ATOM 798 CG LEU A 705 17.747 0.551 -17.681 1.00 8.48 C ATOM 799 CD1 LEU A 705 18.768 0.330 -18.788 1.00 12.39 C ATOM 800 CD2 LEU A 705 16.956 1.831 -17.933 1.00 12.36 C ATOM 801 H LEU A 705 17.580 -0.752 -15.166 1.00 0.00 H ATOM 802 N LYS A 706 15.469 -3.129 -16.165 1.00 11.98 N ATOM 803 CA LYS A 706 14.713 -4.365 -16.328 1.00 13.72 C ATOM 804 C LYS A 706 13.469 -4.382 -15.446 1.00 14.10 C ATOM 805 O LYS A 706 12.374 -4.747 -15.899 1.00 15.53 O ATOM 806 CB LYS A 706 15.613 -5.544 -15.981 1.00 14.72 C ATOM 807 CG LYS A 706 14.945 -6.878 -16.168 1.00 22.71 C ATOM 808 CD LYS A 706 15.977 -8.003 -16.188 1.00 25.97 C ATOM 809 CE LYS A 706 17.158 -7.659 -17.093 1.00 37.59 C ATOM 810 H LYS A 706 16.411 -3.150 -15.724 1.00 0.00 H ATOM 811 N TYR A 707 13.616 -3.990 -14.180 1.00 13.17 N ATOM 812 CA TYR A 707 12.519 -4.183 -13.242 1.00 13.86 C ATOM 813 C TYR A 707 11.406 -3.157 -13.426 1.00 14.00 C ATOM 814 O TYR A 707 10.227 -3.498 -13.309 1.00 15.59 O ATOM 815 CB TYR A 707 13.015 -4.168 -11.795 1.00 14.21 C ATOM 816 CG TYR A 707 11.891 -4.485 -10.843 1.00 16.17 C ATOM 817 CD1 TYR A 707 11.522 -5.796 -10.590 1.00 18.43 C ATOM 818 CD2 TYR A 707 11.153 -3.473 -10.250 1.00 17.16 C ATOM 819 CE1 TYR A 707 10.471 -6.091 -9.743 1.00 19.25 C ATOM 820 CE2 TYR A 707 10.107 -3.756 -9.400 1.00 18.94 C ATOM 821 CZ TYR A 707 9.768 -5.067 -9.153 1.00 18.33 C ATOM 822 OH TYR A 707 8.711 -5.359 -8.312 1.00 22.13 O ATOM 823 HH TYR A 707 8.605 -6.341 -8.246 1.00 0.00 H ATOM 824 H TYR A 707 14.505 -3.551 -13.866 1.00 0.00 H ATOM 825 N ASN A 708 11.757 -1.900 -13.691 1.00 13.22 N ATOM 826 CA ASN A 708 10.812 -0.793 -13.641 1.00 12.15 C ATOM 827 C ASN A 708 10.265 -0.472 -15.019 1.00 12.71 C ATOM 828 O ASN A 708 10.974 -0.581 -16.024 1.00 13.68 O ATOM 829 CB ASN A 708 11.492 0.442 -13.056 1.00 12.59 C ATOM 830 CG ASN A 708 11.934 0.217 -11.631 1.00 14.54 C ATOM 831 OD1 ASN A 708 11.103 0.149 -10.726 1.00 15.26 O ATOM 832 ND2 ASN A 708 13.238 0.044 -11.423 1.00 13.74 N ATOM 833 HD22 ASN A 708 13.905 0.110 -12.218 1.00 0.00 H ATOM 834 HD21 ASN A 708 13.590 -0.158 -10.465 1.00 0.00 H ATOM 835 H ASN A 708 12.746 -1.701 -13.944 1.00 0.00 H ATOM 836 N ALA A 709 8.993 -0.080 -15.055 1.00 12.81 N ATOM 837 CA ALA A 709 8.349 0.286 -16.304 1.00 12.79 C ATOM 838 C ALA A 709 8.961 1.570 -16.852 1.00 12.90 C ATOM 839 O ALA A 709 9.446 2.423 -16.104 1.00 13.48 O ATOM 840 CB ALA A 709 6.842 0.461 -16.086 1.00 13.84 C ATOM 841 H ALA A 709 8.449 -0.035 -14.170 1.00 0.00 H ATOM 842 N LYS A 710 8.908 1.714 -18.176 1.00 13.78 N ATOM 843 CA LYS A 710 9.528 2.865 -18.819 1.00 16.41 C ATOM 844 C LYS A 710 8.919 4.185 -18.387 1.00 19.23 C ATOM 845 O LYS A 710 9.596 5.218 -18.463 1.00 21.75 O ATOM 846 CB LYS A 710 9.436 2.747 -20.338 1.00 17.57 C ATOM 847 CG LYS A 710 10.338 1.681 -20.905 1.00 18.65 C ATOM 848 CD LYS A 710 10.305 1.664 -22.430 1.00 20.99 C ATOM 849 CE LYS A 710 11.336 2.610 -23.007 1.00 17.97 C ATOM 850 NZ LYS A 710 11.209 2.777 -24.474 1.00 15.42 N ATOM 851 HZ1 LYS A 710 11.330 1.854 -24.938 1.00 0.00 H ATOM 852 HZ2 LYS A 710 10.268 3.159 -24.698 1.00 0.00 H ATOM 853 HZ3 LYS A 710 11.940 3.435 -24.811 1.00 0.00 H ATOM 854 H LYS A 710 8.421 1.000 -18.754 1.00 0.00 H ATOM 855 N ASP A 711 7.668 4.191 -17.945 1.00 17.24 N ATOM 856 CA ASP A 711 7.022 5.443 -17.586 1.00 17.49 C ATOM 857 C ASP A 711 7.320 5.893 -16.162 1.00 18.18 C ATOM 858 O ASP A 711 6.693 6.845 -15.698 1.00 17.52 O ATOM 859 CB ASP A 711 5.514 5.382 -17.863 1.00 20.83 C ATOM 860 CG ASP A 711 4.770 4.411 -16.956 1.00 24.66 C ATOM 861 OD1 ASP A 711 5.395 3.670 -16.174 1.00 26.02 O ATOM 862 OD2 ASP A 711 3.521 4.382 -17.039 1.00 32.98 O ATOM 863 H ASP A 711 7.147 3.296 -17.855 1.00 0.00 H ATOM 864 N THR A 712 8.255 5.249 -15.468 1.00 16.60 N ATOM 865 CA THR A 712 8.552 5.577 -14.080 1.00 13.89 C ATOM 866 C THR A 712 9.790 6.454 -13.963 1.00 13.76 C ATOM 867 O THR A 712 10.699 6.414 -14.799 1.00 14.82 O ATOM 868 CB THR A 712 8.758 4.327 -13.221 1.00 13.25 C ATOM 869 OG1 THR A 712 9.902 3.596 -13.685 1.00 14.14 O ATOM 870 CG2 THR A 712 7.523 3.427 -13.259 1.00 16.19 C ATOM 871 HG1 THR A 712 9.759 3.325 -14.626 1.00 0.00 H ATOM 872 H THR A 712 8.791 4.487 -15.931 1.00 0.00 H ATOM 873 N ILE A 713 9.827 7.234 -12.884 1.00 13.12 N ATOM 874 CA ILE A 713 11.038 7.978 -12.569 1.00 14.23 C ATOM 875 C ILE A 713 12.212 7.033 -12.358 1.00 12.48 C ATOM 876 O ILE A 713 13.333 7.327 -12.780 1.00 12.68 O ATOM 877 CB ILE A 713 10.813 8.909 -11.368 1.00 14.26 C ATOM 878 CG1 ILE A 713 9.856 10.044 -11.772 1.00 18.58 C ATOM 879 CG2 ILE A 713 12.160 9.455 -10.852 1.00 19.00 C ATOM 880 CD1 ILE A 713 9.804 11.190 -10.832 1.00 30.90 C ATOM 881 H ILE A 713 8.993 7.311 -12.268 1.00 0.00 H ATOM 882 N PHE A 714 11.986 5.888 -11.706 1.00 11.66 N ATOM 883 CA PHE A 714 13.083 4.958 -11.450 1.00 12.73 C ATOM 884 C PHE A 714 13.745 4.520 -12.754 1.00 12.60 C ATOM 885 O PHE A 714 14.977 4.503 -12.862 1.00 11.32 O ATOM 886 CB PHE A 714 12.583 3.735 -10.672 1.00 14.83 C ATOM 887 CG PHE A 714 12.454 3.955 -9.187 1.00 15.20 C ATOM 888 CD1 PHE A 714 12.661 5.205 -8.624 1.00 15.46 C ATOM 889 CD2 PHE A 714 12.132 2.897 -8.351 1.00 22.99 C ATOM 890 CE1 PHE A 714 12.539 5.392 -7.257 1.00 21.27 C ATOM 891 CE2 PHE A 714 12.009 3.086 -6.979 1.00 23.91 C ATOM 892 CZ PHE A 714 12.218 4.330 -6.440 1.00 21.82 C ATOM 893 H PHE A 714 11.026 5.659 -11.380 1.00 0.00 H ATOM 894 N TYR A 715 12.944 4.157 -13.760 1.00 11.42 N ATOM 895 CA TYR A 715 13.516 3.778 -15.052 1.00 11.45 C ATOM 896 C TYR A 715 14.347 4.918 -15.633 1.00 11.16 C ATOM 897 O TYR A 715 15.495 4.718 -16.061 1.00 11.51 O ATOM 898 CB TYR A 715 12.402 3.381 -16.019 1.00 12.78 C ATOM 899 CG TYR A 715 12.913 2.857 -17.344 1.00 10.80 C ATOM 900 CD1 TYR A 715 13.279 3.724 -18.373 1.00 12.05 C ATOM 901 CD2 TYR A 715 13.033 1.490 -17.569 1.00 10.27 C ATOM 902 CE1 TYR A 715 13.740 3.244 -19.588 1.00 10.63 C ATOM 903 CE2 TYR A 715 13.495 1.001 -18.776 1.00 10.76 C ATOM 904 CZ TYR A 715 13.848 1.872 -19.781 1.00 10.81 C ATOM 905 OH TYR A 715 14.316 1.379 -20.978 1.00 11.87 O ATOM 906 HH TYR A 715 14.522 2.133 -21.586 1.00 0.00 H ATOM 907 H TYR A 715 11.913 4.144 -13.624 1.00 0.00 H ATOM 908 N ARG A 716 13.783 6.124 -15.656 1.00 11.63 N ATOM 909 CA ARG A 716 14.518 7.257 -16.210 1.00 11.44 C ATOM 910 C ARG A 716 15.777 7.560 -15.405 1.00 12.06 C ATOM 911 O ARG A 716 16.793 7.969 -15.980 1.00 10.16 O ATOM 912 CB ARG A 716 13.615 8.488 -16.300 1.00 12.61 C ATOM 913 CG ARG A 716 14.193 9.604 -17.151 1.00 16.31 C ATOM 914 CD ARG A 716 14.313 9.174 -18.606 1.00 23.83 C ATOM 915 NE ARG A 716 15.363 9.905 -19.309 1.00 32.02 N ATOM 916 CZ ARG A 716 15.669 9.717 -20.588 1.00 31.66 C ATOM 917 NH1 ARG A 716 16.639 10.422 -21.156 1.00 29.15 N ATOM 918 NH2 ARG A 716 15.003 8.817 -21.296 1.00 29.64 N ATOM 919 HE ARG A 716 15.904 10.616 -18.776 1.00 0.00 H ATOM 920 HH12 ARG A 716 16.874 10.270 -22.158 1.00 0.00 H ATOM 921 HH11 ARG A 716 17.164 11.126 -20.600 1.00 0.00 H ATOM 922 HH22 ARG A 716 15.238 8.666 -22.298 1.00 0.00 H ATOM 923 HH21 ARG A 716 14.245 8.262 -20.850 1.00 0.00 H ATOM 924 H ARG A 716 12.822 6.258 -15.281 1.00 0.00 H ATOM 925 N ALA A 717 15.739 7.352 -14.084 1.00 11.54 N ATOM 926 CA ALA A 717 16.930 7.578 -13.269 1.00 11.77 C ATOM 927 C ALA A 717 18.057 6.642 -13.666 1.00 11.22 C ATOM 928 O ALA A 717 19.230 7.030 -13.627 1.00 11.30 O ATOM 929 CB ALA A 717 16.610 7.431 -11.784 1.00 12.48 C ATOM 930 H ALA A 717 14.858 7.028 -13.636 1.00 0.00 H ATOM 931 N ALA A 718 17.733 5.416 -14.057 1.00 9.67 N ATOM 932 CA ALA A 718 18.776 4.524 -14.555 1.00 9.73 C ATOM 933 C ALA A 718 19.325 5.013 -15.888 1.00 10.08 C ATOM 934 O ALA A 718 20.541 4.958 -16.120 1.00 10.47 O ATOM 935 CB ALA A 718 18.224 3.107 -14.687 1.00 11.80 C ATOM 936 H ALA A 718 16.745 5.094 -14.009 1.00 0.00 H ATOM 937 N VAL A 719 18.463 5.506 -16.774 1.00 9.30 N ATOM 938 CA VAL A 719 18.943 6.071 -18.033 1.00 10.28 C ATOM 939 C VAL A 719 19.877 7.240 -17.758 1.00 10.32 C ATOM 940 O VAL A 719 20.963 7.341 -18.344 1.00 11.39 O ATOM 941 CB VAL A 719 17.763 6.497 -18.921 1.00 9.74 C ATOM 942 CG1 VAL A 719 18.269 7.217 -20.173 1.00 12.55 C ATOM 943 CG2 VAL A 719 16.939 5.292 -19.318 1.00 11.91 C ATOM 944 H VAL A 719 17.443 5.489 -16.569 1.00 0.00 H ATOM 945 N ARG A 720 19.465 8.147 -16.862 1.00 10.60 N ATOM 946 CA ARG A 720 20.287 9.312 -16.548 1.00 11.27 C ATOM 947 C ARG A 720 21.622 8.885 -15.963 1.00 11.66 C ATOM 948 O ARG A 720 22.665 9.448 -16.310 1.00 12.52 O ATOM 949 CB ARG A 720 19.560 10.223 -15.556 1.00 12.17 C ATOM 950 CG ARG A 720 20.336 11.516 -15.242 1.00 13.10 C ATOM 951 CD ARG A 720 19.604 12.448 -14.267 1.00 14.58 C ATOM 952 NE ARG A 720 19.520 11.875 -12.927 1.00 13.37 N ATOM 953 CZ ARG A 720 19.050 12.533 -11.874 1.00 13.67 C ATOM 954 NH1 ARG A 720 18.616 13.775 -12.005 1.00 15.15 N ATOM 955 NH2 ARG A 720 18.997 11.944 -10.690 1.00 14.02 N ATOM 956 HE ARG A 720 19.846 10.897 -12.790 1.00 0.00 H ATOM 957 HH12 ARG A 720 18.248 14.287 -11.178 1.00 0.00 H ATOM 958 HH11 ARG A 720 18.642 14.240 -12.935 1.00 0.00 H ATOM 959 HH22 ARG A 720 18.628 12.462 -9.867 1.00 0.00 H ATOM 960 HH21 ARG A 720 19.324 10.963 -10.582 1.00 0.00 H ATOM 961 H ARG A 720 18.550 8.020 -16.385 1.00 0.00 H ATOM 962 N LEU A 721 21.609 7.903 -15.064 1.00 10.08 N ATOM 963 CA LEU A 721 22.852 7.436 -14.460 1.00 9.57 C ATOM 964 C LEU A 721 23.755 6.769 -15.493 1.00 12.15 C ATOM 965 O LEU A 721 24.975 6.981 -15.482 1.00 11.93 O ATOM 966 CB LEU A 721 22.535 6.492 -13.303 1.00 11.59 C ATOM 967 CG LEU A 721 23.762 5.912 -12.592 1.00 11.11 C ATOM 968 CD1 LEU A 721 24.555 7.040 -11.979 1.00 16.78 C ATOM 969 CD2 LEU A 721 23.352 4.877 -11.555 1.00 15.07 C ATOM 970 H LEU A 721 20.706 7.466 -14.790 1.00 0.00 H ATOM 971 N ARG A 722 23.184 5.983 -16.406 1.00 10.75 N ATOM 972 CA ARG A 722 23.974 5.405 -17.487 1.00 11.51 C ATOM 973 C ARG A 722 24.662 6.492 -18.301 1.00 11.56 C ATOM 974 O ARG A 722 25.859 6.392 -18.604 1.00 13.05 O ATOM 975 CB ARG A 722 23.075 4.574 -18.393 1.00 11.28 C ATOM 976 CG ARG A 722 23.846 3.824 -19.480 1.00 11.81 C ATOM 977 CD ARG A 722 22.888 3.073 -20.389 1.00 12.24 C ATOM 978 NE ARG A 722 22.075 4.010 -21.153 1.00 13.48 N ATOM 979 CZ ARG A 722 20.843 3.771 -21.584 1.00 13.34 C ATOM 980 NH1 ARG A 722 20.258 2.604 -21.343 1.00 13.16 N ATOM 981 NH2 ARG A 722 20.186 4.700 -22.264 1.00 15.51 N ATOM 982 HE ARG A 722 22.492 4.936 -21.377 1.00 0.00 H ATOM 983 HH12 ARG A 722 19.292 2.426 -21.685 1.00 0.00 H ATOM 984 HH11 ARG A 722 20.766 1.868 -20.812 1.00 0.00 H ATOM 985 HH22 ARG A 722 19.220 4.512 -22.602 1.00 0.00 H ATOM 986 HH21 ARG A 722 20.636 5.617 -22.460 1.00 0.00 H ATOM 987 H ARG A 722 22.166 5.780 -16.347 1.00 0.00 H ATOM 988 N GLU A 723 23.921 7.536 -18.662 1.00 10.50 N ATOM 989 CA GLU A 723 24.463 8.586 -19.518 1.00 12.74 C ATOM 990 C GLU A 723 25.500 9.408 -18.768 1.00 16.79 C ATOM 991 O GLU A 723 26.656 9.531 -19.198 1.00 18.81 O ATOM 992 CB GLU A 723 23.331 9.498 -19.992 1.00 15.29 C ATOM 993 CG GLU A 723 22.269 8.832 -20.856 1.00 27.74 C ATOM 994 CD GLU A 723 21.159 9.800 -21.277 1.00 41.87 C ATOM 995 OE1 GLU A 723 20.952 10.822 -20.581 1.00 51.08 O ATOM 996 OE2 GLU A 723 20.495 9.541 -22.304 1.00 43.55 O ATOM 997 H GLU A 723 22.938 7.605 -18.328 1.00 0.00 H ATOM 998 N GLN A 724 25.114 9.954 -17.616 1.00 12.90 N ATOM 999 CA GLN A 724 26.031 10.837 -16.894 1.00 14.20 C ATOM 1000 C GLN A 724 27.163 10.047 -16.254 1.00 16.20 C ATOM 1001 O GLN A 724 28.308 10.520 -16.194 1.00 17.62 O ATOM 1002 CB GLN A 724 25.269 11.643 -15.842 1.00 15.00 C ATOM 1003 CG GLN A 724 24.169 12.500 -16.417 1.00 14.10 C ATOM 1004 CD GLN A 724 23.447 13.314 -15.362 1.00 16.40 C ATOM 1005 OE1 GLN A 724 23.597 13.066 -14.172 1.00 18.32 O ATOM 1006 NE2 GLN A 724 22.651 14.281 -15.797 1.00 17.68 N ATOM 1007 HE22 GLN A 724 22.555 14.456 -16.818 1.00 0.00 H ATOM 1008 HE21 GLN A 724 22.123 14.865 -15.117 1.00 0.00 H ATOM 1009 H GLN A 724 24.168 9.754 -17.233 1.00 0.00 H ATOM 1010 N GLY A 725 26.869 8.838 -15.776 1.00 15.24 N ATOM 1011 CA GLY A 725 27.896 8.025 -15.151 1.00 17.23 C ATOM 1012 C GLY A 725 28.865 7.438 -16.147 1.00 24.69 C ATOM 1013 O GLY A 725 30.036 7.217 -15.821 1.00 18.69 O ATOM 1014 H GLY A 725 25.897 8.475 -15.851 1.00 0.00 H ATOM 1015 N GLY A 726 28.402 7.173 -17.368 1.00 21.46 N ATOM 1016 CA GLY A 726 29.308 6.683 -18.393 1.00 21.02 C ATOM 1017 C GLY A 726 30.445 7.650 -18.654 1.00 23.08 C ATOM 1018 O GLY A 726 31.588 7.241 -18.880 1.00 22.10 O ATOM 1019 H GLY A 726 27.395 7.316 -17.587 1.00 0.00 H ATOM 1020 N ALA A 727 30.159 8.950 -18.583 1.00 21.32 N ATOM 1021 CA ALA A 727 31.200 9.942 -18.806 1.00 16.59 C ATOM 1022 C ALA A 727 32.240 9.916 -17.686 1.00 18.76 C ATOM 1023 O ALA A 727 33.447 9.997 -17.942 1.00 19.33 O ATOM 1024 CB ALA A 727 30.559 11.326 -18.917 1.00 21.19 C ATOM 1025 H ALA A 727 29.189 9.256 -18.368 1.00 0.00 H ATOM 1026 N VAL A 728 31.778 9.824 -16.444 1.00 15.77 N ATOM 1027 CA VAL A 728 32.665 9.631 -15.299 1.00 16.14 C ATOM 1028 C VAL A 728 33.531 8.388 -15.494 1.00 16.30 C ATOM 1029 O VAL A 728 34.743 8.405 -15.244 1.00 16.18 O ATOM 1030 CB VAL A 728 31.810 9.533 -14.024 1.00 14.74 C ATOM 1031 CG1 VAL A 728 32.636 9.121 -12.826 1.00 16.37 C ATOM 1032 CG2 VAL A 728 31.074 10.859 -13.762 1.00 16.81 C ATOM 1033 H VAL A 728 30.753 9.891 -16.281 1.00 0.00 H ATOM 1034 N LEU A 729 32.926 7.299 -15.961 1.00 15.49 N ATOM 1035 CA LEU A 729 33.627 6.019 -16.070 1.00 13.76 C ATOM 1036 C LEU A 729 34.681 6.045 -17.166 1.00 15.01 C ATOM 1037 O LEU A 729 35.762 5.458 -17.014 1.00 14.84 O ATOM 1038 CB LEU A 729 32.608 4.920 -16.345 1.00 14.10 C ATOM 1039 CG LEU A 729 31.757 4.582 -15.134 1.00 15.83 C ATOM 1040 CD1 LEU A 729 30.483 3.881 -15.574 1.00 19.55 C ATOM 1041 CD2 LEU A 729 32.539 3.707 -14.184 1.00 18.54 C ATOM 1042 H LEU A 729 31.930 7.359 -16.256 1.00 0.00 H ATOM 1043 N ARG A 730 34.401 6.714 -18.280 1.00 15.12 N ATOM 1044 CA ARG A 730 35.373 6.749 -19.360 1.00 16.20 C ATOM 1045 C ARG A 730 36.621 7.521 -18.950 1.00 16.61 C ATOM 1046 O ARG A 730 37.750 7.095 -19.230 1.00 17.17 O ATOM 1047 CB ARG A 730 34.740 7.314 -20.633 1.00 21.67 C ATOM 1048 CG ARG A 730 33.623 6.417 -21.184 1.00 24.40 C ATOM 1049 CD ARG A 730 33.109 6.896 -22.538 1.00 28.78 C ATOM 1050 NE ARG A 730 32.407 8.177 -22.448 1.00 31.81 N ATOM 1051 CZ ARG A 730 31.104 8.303 -22.202 1.00 28.84 C ATOM 1052 NH1 ARG A 730 30.352 7.228 -22.017 1.00 29.97 N ATOM 1053 NH2 ARG A 730 30.551 9.510 -22.135 1.00 27.51 N ATOM 1054 HE ARG A 730 32.962 9.046 -22.585 1.00 0.00 H ATOM 1055 HH12 ARG A 730 29.335 7.331 -21.825 1.00 0.00 H ATOM 1056 HH11 ARG A 730 30.779 6.281 -22.064 1.00 0.00 H ATOM 1057 HH22 ARG A 730 29.533 9.606 -21.943 1.00 0.00 H ATOM 1058 HH21 ARG A 730 31.136 10.358 -22.275 1.00 0.00 H ATOM 1059 H ARG A 730 33.492 7.209 -18.378 1.00 0.00 H ATOM 1060 N GLN A 731 36.445 8.656 -18.270 1.00 18.41 N ATOM 1061 CA GLN A 731 37.614 9.401 -17.820 1.00 17.00 C ATOM 1062 C GLN A 731 38.384 8.633 -16.749 1.00 17.94 C ATOM 1063 O GLN A 731 39.617 8.647 -16.739 1.00 18.68 O ATOM 1064 CB GLN A 731 37.216 10.808 -17.364 1.00 23.71 C ATOM 1065 CG GLN A 731 36.234 10.885 -16.206 1.00 34.26 C ATOM 1066 CD GLN A 731 36.907 10.782 -14.845 1.00 39.33 C ATOM 1067 OE1 GLN A 731 38.117 11.001 -14.714 1.00 44.64 O ATOM 1068 NE2 GLN A 731 36.123 10.448 -13.822 1.00 22.97 N ATOM 1069 HE22 GLN A 731 35.110 10.273 -13.979 1.00 0.00 H ATOM 1070 HE21 GLN A 731 36.524 10.362 -12.866 1.00 0.00 H ATOM 1071 H GLN A 731 35.487 9.004 -18.064 1.00 0.00 H ATOM 1072 N ALA A 732 37.677 7.941 -15.855 1.00 15.48 N ATOM 1073 CA ALA A 732 38.367 7.183 -14.814 1.00 14.84 C ATOM 1074 C ALA A 732 39.156 6.016 -15.394 1.00 16.04 C ATOM 1075 O ALA A 732 40.287 5.760 -14.971 1.00 16.49 O ATOM 1076 CB ALA A 732 37.372 6.705 -13.763 1.00 15.97 C ATOM 1077 H ALA A 732 36.638 7.941 -15.899 1.00 0.00 H ATOM 1078 N ARG A 733 38.576 5.285 -16.352 1.00 15.48 N ATOM 1079 CA ARG A 733 39.297 4.181 -16.978 1.00 16.80 C ATOM 1080 C ARG A 733 40.548 4.680 -17.691 1.00 19.30 C ATOM 1081 O ARG A 733 41.591 4.012 -17.671 1.00 19.91 O ATOM 1082 CB ARG A 733 38.376 3.445 -17.952 1.00 15.62 C ATOM 1083 CG ARG A 733 39.042 2.269 -18.655 1.00 15.41 C ATOM 1084 CD ARG A 733 38.115 1.645 -19.693 1.00 17.93 C ATOM 1085 NE ARG A 733 36.962 0.995 -19.089 1.00 16.39 N ATOM 1086 CZ ARG A 733 36.931 -0.287 -18.747 1.00 15.84 C ATOM 1087 NH1 ARG A 733 38.000 -1.053 -18.936 1.00 17.14 N ATOM 1088 NH2 ARG A 733 35.823 -0.792 -18.212 1.00 17.45 N ATOM 1089 HE ARG A 733 36.112 1.569 -18.915 1.00 0.00 H ATOM 1090 HH12 ARG A 733 37.974 -2.057 -18.667 1.00 0.00 H ATOM 1091 HH11 ARG A 733 38.863 -0.648 -19.352 1.00 0.00 H ATOM 1092 HH22 ARG A 733 35.787 -1.795 -17.940 1.00 0.00 H ATOM 1093 HH21 ARG A 733 34.992 -0.184 -18.065 1.00 0.00 H ATOM 1094 H ARG A 733 37.605 5.505 -16.653 1.00 0.00 H ATOM 1095 N ARG A 734 40.462 5.850 -18.331 1.00 17.45 N ATOM 1096 CA ARG A 734 41.643 6.444 -18.952 1.00 21.80 C ATOM 1097 C ARG A 734 42.745 6.679 -17.927 1.00 21.19 C ATOM 1098 O ARG A 734 43.924 6.430 -18.204 1.00 23.70 O ATOM 1099 CB ARG A 734 41.275 7.754 -19.657 1.00 21.83 C ATOM 1100 CG ARG A 734 40.942 7.617 -21.145 1.00 23.99 C ATOM 1101 CD ARG A 734 40.843 8.982 -21.834 1.00 26.90 C ATOM 1102 NE ARG A 734 39.483 9.519 -21.837 1.00 30.18 N ATOM 1103 CZ ARG A 734 39.032 10.449 -20.999 1.00 26.16 C ATOM 1104 NH1 ARG A 734 39.833 10.969 -20.078 1.00 29.01 N ATOM 1105 NH2 ARG A 734 37.777 10.866 -21.090 1.00 24.35 N ATOM 1106 HE ARG A 734 38.820 9.147 -22.546 1.00 0.00 H ATOM 1107 HH12 ARG A 734 39.473 11.696 -19.426 1.00 0.00 H ATOM 1108 HH11 ARG A 734 40.820 10.650 -20.008 1.00 0.00 H ATOM 1109 HH22 ARG A 734 37.422 11.593 -20.436 1.00 0.00 H ATOM 1110 HH21 ARG A 734 37.148 10.466 -21.815 1.00 0.00 H ATOM 1111 H ARG A 734 39.547 6.341 -18.387 1.00 0.00 H ATOM 1112 N GLN A 735 42.382 7.153 -16.732 1.00 19.27 N ATOM 1113 CA GLN A 735 43.382 7.348 -15.685 1.00 21.06 C ATOM 1114 C GLN A 735 43.977 6.021 -15.236 1.00 18.97 C ATOM 1115 O GLN A 735 45.182 5.932 -14.971 1.00 22.52 O ATOM 1116 CB GLN A 735 42.762 8.067 -14.492 1.00 22.33 C ATOM 1117 CG GLN A 735 42.288 9.474 -14.779 1.00 30.85 C ATOM 1118 CD GLN A 735 41.817 10.167 -13.523 1.00 46.45 C ATOM 1119 OE1 GLN A 735 40.717 10.719 -13.474 1.00 55.00 O ATOM 1120 NE2 GLN A 735 42.652 10.139 -12.491 1.00 52.73 N ATOM 1121 HE22 GLN A 735 43.571 9.661 -12.579 1.00 0.00 H ATOM 1122 HE21 GLN A 735 42.387 10.595 -11.595 1.00 0.00 H ATOM 1123 H GLN A 735 41.385 7.384 -16.547 1.00 0.00 H ATOM 1124 N ALA A 736 43.149 4.981 -15.130 1.00 19.10 N ATOM 1125 CA ALA A 736 43.654 3.666 -14.752 1.00 19.21 C ATOM 1126 C ALA A 736 44.619 3.130 -15.800 1.00 24.04 C ATOM 1127 O ALA A 736 45.627 2.495 -15.463 1.00 23.83 O ATOM 1128 CB ALA A 736 42.483 2.705 -14.560 1.00 18.26 C ATOM 1129 H ALA A 736 42.134 5.109 -15.319 1.00 0.00 H ATOM 1130 N GLU A 737 44.330 3.383 -17.078 1.00 22.24 N ATOM 1131 CA GLU A 737 45.202 2.909 -18.148 1.00 24.22 C ATOM 1132 C GLU A 737 46.569 3.574 -18.102 1.00 27.85 C ATOM 1133 O GLU A 737 47.557 2.983 -18.555 1.00 37.98 O ATOM 1134 CB GLU A 737 44.536 3.148 -19.504 1.00 25.86 C ATOM 1135 CG GLU A 737 43.345 2.251 -19.754 1.00 26.13 C ATOM 1136 CD GLU A 737 42.510 2.700 -20.933 1.00 31.23 C ATOM 1137 OE1 GLU A 737 42.946 3.611 -21.672 1.00 35.52 O ATOM 1138 OE2 GLU A 737 41.410 2.138 -21.117 1.00 31.37 O ATOM 1139 H GLU A 737 43.474 3.924 -17.314 1.00 0.00 H ATOM 1140 N LYS A 738 46.654 4.795 -17.571 1.00 27.12 N ATOM 1141 CA LYS A 738 47.949 5.447 -17.429 1.00 26.22 C ATOM 1142 C LYS A 738 48.775 4.870 -16.289 1.00 26.33 C ATOM 1143 O LYS A 738 49.971 5.177 -16.194 1.00 29.57 O ATOM 1144 CB LYS A 738 47.767 6.954 -17.239 1.00 31.74 C ATOM 1145 CG LYS A 738 47.275 7.676 -18.484 1.00 34.36 C ATOM 1146 CD LYS A 738 47.210 9.174 -18.252 1.00 39.47 C ATOM 1147 H LYS A 738 45.791 5.284 -17.257 1.00 0.00 H ATOM 1148 N MET A 739 48.178 4.050 -15.431 1.00 24.71 N ATOM 1149 CA MET A 739 48.899 3.461 -14.309 1.00 27.46 C ATOM 1150 C MET A 739 49.717 2.255 -14.740 1.00 28.91 C ATOM 1151 O MET A 739 50.574 1.801 -13.990 1.00 31.47 O ATOM 1152 CB MET A 739 47.923 3.056 -13.207 1.00 24.61 C ATOM 1153 CG MET A 739 47.168 4.218 -12.591 1.00 20.95 C ATOM 1154 SD MET A 739 45.910 3.639 -11.436 1.00 21.65 S ATOM 1155 CE MET A 739 45.335 5.207 -10.796 1.00 20.50 C ATOM 1156 H MET A 739 47.172 3.823 -15.563 1.00 0.00 H TER 1157 MET A 739 HETATM 1158 O HOH 1 23.678 10.060 -4.532 1.00 16.20 O HETATM 1159 O HOH 2 42.285 10.483 -10.366 1.00 32.11 O HETATM 1160 O HOH 3 7.189 -13.247 -6.544 1.00 43.25 O HETATM 1161 O HOH 4 28.439 -6.626 1.106 1.00 39.29 O HETATM 1162 O HOH 5 32.880 13.387 -6.171 1.00 38.29 O HETATM 1163 O HOH 6 20.803 7.467 -23.279 1.00 35.42 O HETATM 1164 O HOH 7 18.593 5.168 -0.968 1.00 26.32 O HETATM 1165 O HOH 8 39.588 10.755 -11.374 1.00 37.39 O HETATM 1166 O HOH 9 11.287 -0.982 3.965 1.00 52.86 O HETATM 1167 O HOH 10 40.734 0.393 -22.669 1.00 27.94 O HETATM 1168 O HOH 11 37.722 -4.957 -21.043 1.00 24.31 O HETATM 1169 O HOH 12 22.509 13.856 -12.064 1.00 21.28 O HETATM 1170 O HOH 13 16.621 -2.138 -9.747 1.00 16.35 O HETATM 1171 O HOH 14 23.622 7.486 -4.461 1.00 20.52 O HETATM 1172 O HOH 15 33.546 -2.106 3.983 1.00 33.75 O HETATM 1173 O HOH 16 46.583 7.782 -13.936 1.00 32.46 O HETATM 1174 O HOH 17 29.885 -8.249 -7.397 1.00 27.55 O HETATM 1175 O HOH 18 20.942 12.640 -18.767 1.00 43.20 O HETATM 1176 O HOH 19 48.249 -5.089 -13.417 1.00 39.94 O HETATM 1177 O HOH 20 34.940 3.039 -18.691 1.00 18.66 O HETATM 1178 O HOH 21 38.429 -9.531 0.987 1.00 33.80 O HETATM 1179 O HOH 22 19.071 9.088 -9.408 1.00 18.28 O HETATM 1180 O HOH 23 37.345 9.428 -11.129 1.00 19.05 O HETATM 1181 O HOH 24 11.729 -12.762 -5.445 1.00 40.54 O HETATM 1182 O HOH 25 18.158 -1.771 1.536 1.00 26.79 O HETATM 1183 O HOH 26 22.142 -4.744 -4.087 1.00 16.94 O HETATM 1184 O HOH 27 7.806 -3.014 -12.305 1.00 33.23 O HETATM 1185 O HOH 28 14.760 2.151 -2.134 1.00 34.44 O HETATM 1186 O HOH 29 8.488 0.586 -10.401 1.00 24.94 O HETATM 1187 O HOH 30 34.482 11.270 -20.051 1.00 35.22 O HETATM 1188 O HOH 31 32.128 2.810 -20.595 1.00 39.97 O HETATM 1189 O HOH 32 29.032 1.689 -18.276 1.00 24.63 O HETATM 1190 O HOH 33 29.403 -7.650 -1.230 1.00 35.57 O HETATM 1191 O HOH 34 4.131 2.378 -14.191 1.00 34.63 O HETATM 1192 O HOH 35 34.327 -8.929 -12.261 1.00 28.56 O HETATM 1193 O HOH 36 24.625 -6.533 -0.936 1.00 33.69 O HETATM 1194 O HOH 37 28.511 3.651 -1.172 1.00 26.36 O HETATM 1195 O HOH 38 22.910 -0.902 -18.791 1.00 25.72 O HETATM 1196 O HOH 39 39.507 -5.516 3.243 1.00 33.18 O HETATM 1197 O HOH 40 19.692 -3.938 -7.940 1.00 15.71 O HETATM 1198 O HOH 41 37.384 8.002 -26.713 1.00 25.81 O HETATM 1199 O HOH 42 16.701 7.469 -1.858 1.00 37.15 O HETATM 1200 O HOH 43 32.331 11.558 -22.068 1.00 41.46 O HETATM 1201 O HOH 44 23.784 -8.847 -4.672 1.00 26.25 O HETATM 1202 O HOH 45 32.541 -7.303 -10.783 1.00 24.00 O HETATM 1203 O HOH 46 20.338 -6.745 -15.081 1.00 23.41 O HETATM 1204 O HOH 47 40.039 -1.587 2.329 1.00 27.92 O HETATM 1205 O HOH 48 24.520 -5.463 -16.374 1.00 21.62 O HETATM 1206 O HOH 49 5.556 8.612 -17.431 1.00 24.26 O HETATM 1207 O HOH 50 25.810 4.326 -0.646 1.00 22.40 O HETATM 1208 O HOH 51 27.035 -6.070 -15.419 1.00 19.60 O HETATM 1209 O HOH 52 29.293 11.260 -3.652 1.00 35.05 O HETATM 1210 O HOH 53 28.811 13.202 -16.488 1.00 27.68 O HETATM 1211 O HOH 54 34.427 -4.458 2.757 1.00 22.78 O HETATM 1212 O HOH 55 34.914 -2.818 -20.706 1.00 21.86 O HETATM 1213 O HOH 56 20.170 -0.499 -7.062 1.00 17.10 O HETATM 1214 O HOH 57 30.748 15.289 -14.049 1.00 31.31 O HETATM 1215 O HOH 58 17.222 1.130 -1.063 1.00 23.19 O HETATM 1216 O HOH 59 44.147 -3.388 -13.064 1.00 33.22 O HETATM 1217 O HOH 60 19.234 -1.172 -9.519 1.00 16.31 O HETATM 1218 O HOH 61 29.979 13.495 -10.310 1.00 24.64 O HETATM 1219 O HOH 62 25.356 -4.507 1.030 1.00 32.07 O HETATM 1220 O HOH 63 22.329 10.463 -13.042 1.00 25.96 O HETATM 1221 O HOH 64 18.807 0.467 -4.965 1.00 14.94 O HETATM 1222 O HOH 65 50.498 -5.396 -10.959 1.00 20.03 O HETATM 1223 O HOH 66 31.004 6.886 -2.672 1.00 34.01 O HETATM 1224 O HOH 67 38.746 -3.630 -4.828 1.00 16.22 O HETATM 1225 O HOH 68 44.885 7.530 -7.798 1.00 24.24 O HETATM 1226 O HOH 69 20.100 9.137 -11.974 1.00 13.42 O HETATM 1227 O HOH 70 9.159 -6.107 -13.511 1.00 30.29 O HETATM 1228 O HOH 71 10.796 -13.283 -2.325 1.00 37.23 O HETATM 1229 O HOH 72 41.284 10.776 -17.593 1.00 40.39 O HETATM 1230 O HOH 73 20.896 -9.148 -12.268 1.00 19.36 O HETATM 1231 O HOH 74 41.879 -1.846 -15.404 1.00 30.38 O HETATM 1232 O HOH 75 14.206 -5.306 2.715 1.00 36.65 O HETATM 1233 O HOH 76 34.999 11.923 -5.902 1.00 29.76 O HETATM 1234 O HOH 77 18.324 -5.856 -3.291 1.00 20.37 O HETATM 1235 O HOH 78 39.932 8.772 -3.505 1.00 19.80 O HETATM 1236 O HOH 79 34.681 9.885 -22.834 1.00 40.66 O HETATM 1237 O HOH 80 19.728 -4.016 -4.967 1.00 16.34 O HETATM 1238 O HOH 81 30.682 -1.005 -19.663 1.00 27.46 O HETATM 1239 O HOH 82 50.718 2.012 -10.826 1.00 35.34 O HETATM 1240 O HOH 83 12.795 -10.240 -4.128 1.00 29.55 O HETATM 1241 O HOH 84 25.347 1.101 -17.926 1.00 24.09 O HETATM 1242 O HOH 85 14.211 6.008 -22.044 1.00 26.09 O HETATM 1243 O HOH 86 41.330 -9.745 -2.922 1.00 28.84 O HETATM 1244 O HOH 87 7.192 -0.033 -19.739 1.00 16.54 O HETATM 1245 O HOH 88 30.405 4.351 -21.611 1.00 31.11 O HETATM 1246 O HOH 89 28.566 -5.016 -17.864 1.00 28.59 O HETATM 1247 O HOH 90 27.320 3.879 -18.724 1.00 25.06 O HETATM 1248 O HOH 91 8.516 3.324 -25.436 1.00 25.97 O HETATM 1249 O HOH 92 23.464 6.356 -22.193 1.00 30.81 O HETATM 1250 O HOH 93 7.344 -0.303 -12.649 1.00 19.89 O HETATM 1251 O HOH 94 35.881 -10.296 -7.368 1.00 25.06 O HETATM 1252 O HOH 95 21.596 0.000 -21.073 1.00 14.09 O HETATM 1253 O HOH 96 32.600 -4.840 -16.963 1.00 32.98 O HETATM 1254 O HOH 97 44.310 2.732 -1.457 1.00 27.71 O HETATM 1255 O HOH 98 27.653 8.399 -21.754 1.00 37.72 O HETATM 1256 O HOH 99 11.236 -10.617 -0.403 1.00 31.65 O HETATM 1257 O HOH 100 34.334 12.823 -13.847 1.00 32.57 O HETATM 1258 O HOH 101 39.543 -3.706 -16.999 1.00 19.76 O HETATM 1259 O HOH 102 43.698 1.054 0.110 1.00 29.10 O HETATM 1260 O HOH 103 42.513 5.921 -25.226 1.00 44.40 O HETATM 1261 O HOH 104 28.772 -8.348 -4.825 1.00 22.85 O HETATM 1262 O HOH 105 24.613 -4.678 -18.745 1.00 33.53 O HETATM 1263 O HOH 106 18.867 3.212 -2.048 1.00 20.23 O HETATM 1264 O HOH 107 36.680 -8.606 -18.740 1.00 36.96 O HETATM 1265 O HOH 108 34.003 5.786 -2.405 1.00 29.98 O HETATM 1266 O HOH 109 27.328 15.877 -10.682 1.00 39.55 O HETATM 1267 O HOH 110 22.657 -7.475 -16.601 1.00 32.40 O HETATM 1268 O HOH 111 17.230 -5.457 0.950 1.00 33.19 O HETATM 1269 O HOH 112 25.319 10.635 -2.914 1.00 33.78 O HETATM 1270 O HOH 113 7.317 6.041 -21.101 1.00 34.67 O HETATM 1271 O HOH 114 24.661 15.454 -10.384 1.00 32.23 O HETATM 1272 O HOH 115 26.343 15.040 -15.860 1.00 30.39 O HETATM 1273 O HOH 116 41.498 6.616 -0.026 1.00 25.77 O HETATM 1274 O HOH 117 33.099 -2.944 -18.336 1.00 28.10 O HETATM 1275 O HOH 118 5.558 2.144 -19.122 1.00 24.00 O HETATM 1276 O HOH 119 37.443 9.407 -2.649 1.00 29.79 O HETATM 1277 O HOH 120 27.021 6.257 -21.650 1.00 36.35 O HETATM 1278 O HOH 121 39.519 -3.834 -19.816 1.00 27.19 O HETATM 1279 O HOH 122 20.112 -0.901 3.413 1.00 41.82 O HETATM 1280 O HOH 123 36.555 -12.169 -2.019 1.00 34.86 O HETATM 1281 O HOH 124 33.570 13.090 -16.421 1.00 37.33 O HETATM 1282 O HOH 125 34.012 0.000 -21.073 1.00 26.41 O HETATM 1283 O HOH 126 18.795 -10.012 -14.365 1.00 27.75 O HETATM 1284 O HOH 127 12.016 6.268 -23.748 1.00 38.76 O HETATM 1285 O HOH 128 23.688 0.783 4.545 1.00 43.24 O HETATM 1286 O HOH 129 6.581 8.202 -20.347 1.00 44.81 O HETATM 1287 O HOH 130 5.933 -11.778 -5.037 1.00 46.61 O HETATM 1288 O HOH 131 42.570 9.168 -8.209 1.00 29.08 O HETATM 1289 O HOH 132 25.628 -2.724 -19.612 1.00 32.84 O HETATM 1290 O HOH 133 27.858 -3.975 -20.866 1.00 31.63 O HETATM 1291 O HOH 134 36.573 -5.547 4.086 1.00 34.68 O HETATM 1292 O HOH 135 5.653 3.831 -21.300 1.00 26.45 O HETATM 1293 O HOH 136 32.161 14.142 -11.973 1.00 27.84 O HETATM 1294 O HOH 137 44.022 7.600 -24.694 1.00 39.77 O HETATM 1295 O HOH 138 24.856 4.871 1.956 1.00 39.52 O HETATM 1296 O HOH 139 12.988 -11.713 -1.638 1.00 28.26 O HETATM 1297 O HOH 140 35.299 13.635 -18.596 1.00 40.67 O HETATM 1298 O HOH 141 22.503 -7.123 -2.623 1.00 23.07 O HETATM 1299 O HOH 142 22.743 -10.480 -13.766 1.00 32.04 O HETATM 1300 O HOH 143 2.561 8.449 -17.055 1.00 41.43 O HETATM 1301 O HOH 144 31.152 14.210 -16.348 1.00 34.82 O HETATM 1302 O HOH 145 27.804 13.903 -18.862 1.00 41.55 O HETATM 1303 O HOH 146 33.990 12.028 -23.844 1.00 48.27 O HETATM 1304 O HOH 147 45.904 -6.524 -13.884 1.00 37.76 O HETATM 1305 O HOH 148 34.479 8.483 -26.378 1.00 45.46 O HETATM 1306 O HOH 149 39.208 7.530 1.077 1.00 40.11 O HETATM 1307 O HOH 150 41.123 11.152 -4.776 1.00 32.93 O HETATM 1308 O HOH 151 46.882 8.095 -5.777 1.00 31.35 O HETATM 1309 O HOH 152 25.040 -13.824 -10.566 1.00 43.07 O HETATM 1310 O HOH 153 26.383 -9.237 -4.090 1.00 28.83 O HETATM 1311 O HOH 154 4.770 0.575 -12.940 1.00 32.39 O HETATM 1312 O HOH 155 22.985 -1.031 3.205 1.00 37.92 O HETATM 1313 O HOH 156 19.137 -7.462 0.537 1.00 31.69 O HETATM 1314 O HOH 157 6.370 -2.291 -18.664 1.00 23.75 O HETATM 1315 O HOH 158 46.686 8.416 -9.597 1.00 36.25 O HETATM 1316 O HOH 159 26.558 -8.738 -1.530 1.00 34.25 O HETATM 1317 O HOH 160 23.633 -3.464 2.924 1.00 34.37 O HETATM 1318 O HOH 161 19.841 -7.782 -2.102 1.00 25.54 O HETATM 1319 O HOH 162 42.600 11.328 -6.413 1.00 33.53 O HETATM 1320 O HOH 163 17.562 -9.010 2.149 1.00 34.52 O HETATM 1321 O HOH 164 19.880 -10.492 -2.742 1.00 30.29 O HETATM 1322 O HOH 165 34.935 11.522 -26.041 1.00 36.68 O HETATM 1323 O HOH 166 4.148 -1.746 -17.206 1.00 34.16 O HETATM 1324 O HOH 167 46.361 9.954 -4.228 1.00 37.15 O HETATM 1325 O HOH 168 35.649 13.655 -26.880 1.00 34.80 O HETATM 1326 O HOH 169 17.036 -11.626 1.253 1.00 31.09 O HETATM 1327 O HOH 170 19.005 -11.907 -0.507 1.00 43.43 O HETATM 1328 C2 UNN A 171 15.653 0.806 -7.922 1.00 -0.05 C HETATM 1329 C3 UNN A 171 14.527 0.034 -7.657 1.00 0.04 C HETATM 1330 C4 UNN A 171 13.864 0.147 -6.436 1.00 0.04 C HETATM 1331 C5 UNN A 171 12.737 -0.619 -6.156 1.00 -0.03 C HETATM 1332 C6 UNN A 171 12.280 -1.506 -7.120 1.00 -0.03 C HETATM 1333 C7 UNN A 171 12.961 -1.598 -8.325 1.00 0.01 C HETATM 1334 N1 UNN A 171 14.088 -0.818 -8.584 1.00 -0.30 N HETATM 1335 H4 UNN A 171 12.610 -2.291 -9.081 1.00 0.09 H HETATM 1336 H3 UNN A 171 11.404 -2.118 -6.934 1.00 0.07 H HETATM 1337 H2 UNN A 171 12.226 -0.525 -5.204 1.00 0.08 H HETATM 1338 C8 UNN A 171 14.330 1.036 -5.481 1.00 0.11 C HETATM 1339 C9 UNN A 171 15.451 1.814 -5.730 1.00 -0.03 C HETATM 1340 C1 UNN A 171 16.105 1.696 -6.954 1.00 -0.07 C HETATM 1341 H6 UNN A 171 16.978 2.306 -7.155 1.00 0.06 H HETATM 1342 H5 UNN A 171 15.814 2.507 -4.980 1.00 0.05 H HETATM 1343 O1 UNN A 171 13.628 1.088 -4.307 1.00 -0.33 O HETATM 1344 H7 UNN A 171 14.201 0.854 -3.586 1.00 0.25 H HETATM 1345 H1 UNN A 171 16.171 0.715 -8.870 1.00 0.05 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1328 1329 1340 1345 CONECT 1329 1328 1330 1334 CONECT 1330 1329 1331 1338 CONECT 1331 1330 1332 1337 CONECT 1332 1331 1333 1336 CONECT 1333 1332 1334 1335 CONECT 1334 1329 1333 CONECT 1335 1333 CONECT 1336 1332 CONECT 1337 1331 CONECT 1338 1330 1339 1343 CONECT 1339 1338 1340 1342 CONECT 1340 1328 1339 1341 CONECT 1341 1340 CONECT 1342 1339 CONECT 1343 1338 1344 CONECT 1344 1343 CONECT 1345 1328 MASTER 0 0 0 0 0 0 0 0 1344 1 22 9 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5em3
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%
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%
5myg
RCSB PDB
PDBbind
116aa, >5MYG_1|Chains... 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
5em3
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human BRPF1 bromodomain
Ligand Name
5Q0
EC.Number
E.C.-.-.-.-
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd>200uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 5555-5561
Ligand Properties
Formula
C
9
H
7
NO
Molecular Weight
145.158
Exact Mass
145.053
No. of atoms
18
No. of bonds
19
Polar Surface Area
33.12
LOGP Value
1.83 (
Computed with XLOGP3
)
1.94 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 2
Canonical SMILES
Oc1cccc2c1cccn2
InChI String
InChI=1S/C9H7NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1-6,11H
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
This site has been visited
times since Nov 2007.
Copyright ©2007-2025 上海盈赛思信息科技有限公司 网站备案号：
沪ICP备2021015625号-3
沪公网安备：
正在申请中
Technical Support（技术支持）:
yingsaisi@foxmail.com
times since Nov 2007. 
沪公网安备：正在申请中