Browse entries in the PDBbind-CN Database
HEADER 5MWZ_COMPLEX COMPND 5MWZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 114 MET GLU MET GLN LEU THR PRO PHE LEU ILE LEU LEU ARG SEQRES 2 A 114 LYS THR LEU GLU GLN LEU GLN GLU LYS ASP THR GLY ASN SEQRES 3 A 114 ILE PHE SER GLU PRO VAL PRO LEU SER GLU VAL PRO ASP SEQRES 4 A 114 TYR LEU ASP HIS ILE LYS LYS PRO MET ASP PHE PHE THR SEQRES 5 A 114 MET LYS GLN ASN LEU GLU ALA TYR ARG TYR LEU ASN PHE SEQRES 6 A 114 ASP ASP PHE GLU GLU ASP PHE ASN LEU ILE VAL SER ASN SEQRES 7 A 114 CYS LEU LYS TYR ASN ALA LYS ASP THR ILE PHE TYR ARG SEQRES 8 A 114 ALA ALA VAL ARG LEU ARG GLU GLN GLY GLY ALA VAL LEU SEQRES 9 A 114 ARG GLN ALA ARG ARG GLN ALA GLU LYS MET HET KGU A 343 71 ATOM 1 N MET A 626 -19.092 42.659 -4.948 1.00 21.48 N ATOM 2 CA MET A 626 -18.955 42.893 -3.516 1.00 19.14 C ATOM 3 C MET A 626 -19.753 44.106 -3.041 1.00 20.73 C ATOM 4 O MET A 626 -19.535 44.606 -1.941 1.00 18.38 O ATOM 5 CB MET A 626 -17.473 43.042 -3.137 1.00 16.48 C ATOM 6 CG MET A 626 -16.704 41.733 -3.189 1.00 16.38 C ATOM 7 SD MET A 626 -14.930 41.856 -2.856 1.00 16.19 S ATOM 8 CE MET A 626 -14.937 42.207 -1.100 1.00 16.94 C ATOM 9 HN3 MET A 626 -18.749 43.492 -5.468 1.00 0.00 H ATOM 10 HN2 MET A 626 -20.093 42.493 -5.177 1.00 0.00 H ATOM 11 HN1 MET A 626 -18.531 41.825 -5.217 1.00 0.00 H ATOM 12 N GLU A 627 -20.677 44.591 -3.868 1.00 22.81 N ATOM 13 CA GLU A 627 -21.521 45.734 -3.511 1.00 25.58 C ATOM 14 C GLU A 627 -22.836 45.191 -2.960 1.00 31.56 C ATOM 15 O GLU A 627 -23.818 45.031 -3.687 1.00 34.54 O ATOM 16 CB GLU A 627 -21.743 46.664 -4.700 1.00 35.59 C ATOM 17 CG GLU A 627 -22.630 47.863 -4.383 1.00 46.91 C ATOM 18 CD GLU A 627 -22.242 49.108 -5.154 1.00 58.43 C ATOM 19 OE1 GLU A 627 -21.328 49.826 -4.699 1.00 62.08 O ATOM 20 OE2 GLU A 627 -22.856 49.373 -6.209 1.00 62.14 O ATOM 21 H GLU A 627 -20.804 44.144 -4.798 1.00 0.00 H ATOM 22 N MET A 628 -22.846 44.904 -1.661 1.00 24.88 N ATOM 23 CA MET A 628 -23.999 44.312 -0.992 1.00 22.86 C ATOM 24 C MET A 628 -23.775 44.417 0.511 1.00 21.57 C ATOM 25 O MET A 628 -22.689 44.783 0.974 1.00 19.94 O ATOM 26 CB MET A 628 -24.167 42.844 -1.384 1.00 22.95 C ATOM 27 CG MET A 628 -22.955 42.014 -1.022 1.00 21.56 C ATOM 28 SD MET A 628 -23.112 40.264 -1.393 1.00 27.72 S ATOM 29 CE MET A 628 -22.793 40.258 -3.157 1.00 35.32 C ATOM 30 H MET A 628 -21.996 45.110 -1.099 1.00 0.00 H ATOM 31 N GLN A 629 -24.814 44.073 1.269 1.00 21.99 N ATOM 32 CA GLN A 629 -24.728 44.066 2.722 1.00 16.94 C ATOM 33 C GLN A 629 -24.058 42.789 3.216 1.00 14.38 C ATOM 34 O GLN A 629 -24.241 41.707 2.652 1.00 15.44 O ATOM 35 CB GLN A 629 -26.122 44.176 3.336 1.00 19.20 C ATOM 36 CG GLN A 629 -26.780 45.527 3.124 1.00 33.78 C ATOM 37 CD GLN A 629 -28.007 45.712 3.993 1.00 45.06 C ATOM 38 OE1 GLN A 629 -28.154 46.729 4.671 1.00 50.00 O ATOM 39 NE2 GLN A 629 -28.895 44.724 3.982 1.00 46.57 N ATOM 40 HE22 GLN A 629 -28.730 43.883 3.394 1.00 0.00 H ATOM 41 HE21 GLN A 629 -29.756 44.792 4.562 1.00 0.00 H ATOM 42 H GLN A 629 -25.708 43.803 0.812 1.00 0.00 H ATOM 43 N LEU A 630 -23.297 42.920 4.304 1.00 14.25 N ATOM 44 CA LEU A 630 -22.521 41.799 4.820 1.00 14.58 C ATOM 45 C LEU A 630 -23.411 40.712 5.415 1.00 11.38 C ATOM 46 O LEU A 630 -23.226 39.531 5.126 1.00 12.23 O ATOM 47 CB LEU A 630 -21.500 42.275 5.856 1.00 17.60 C ATOM 48 CG LEU A 630 -20.684 41.130 6.469 1.00 22.15 C ATOM 49 CD1 LEU A 630 -19.805 40.470 5.420 1.00 31.94 C ATOM 50 CD2 LEU A 630 -19.851 41.601 7.655 1.00 32.25 C ATOM 51 H LEU A 630 -23.257 43.837 4.792 1.00 0.00 H ATOM 52 N THR A 631 -24.352 41.087 6.279 1.00 12.26 N ATOM 53 CA THR A 631 -25.109 40.081 7.023 1.00 12.76 C ATOM 54 C THR A 631 -25.876 39.108 6.134 1.00 11.31 C ATOM 55 O THR A 631 -25.777 37.895 6.371 1.00 11.97 O ATOM 56 CB THR A 631 -25.976 40.746 8.097 1.00 14.57 C ATOM 57 OG1 THR A 631 -25.138 41.456 9.019 1.00 18.42 O ATOM 58 CG2 THR A 631 -26.774 39.716 8.852 1.00 21.46 C ATOM 59 HG1 THR A 631 -24.510 40.822 9.448 1.00 0.00 H ATOM 60 H THR A 631 -24.549 42.098 6.425 1.00 0.00 H ATOM 61 N PRO A 632 -26.627 39.539 5.116 1.00 10.86 N ATOM 62 CA PRO A 632 -27.309 38.539 4.277 1.00 12.73 C ATOM 63 C PRO A 632 -26.336 37.672 3.509 1.00 10.09 C ATOM 64 O PRO A 632 -26.621 36.493 3.261 1.00 10.99 O ATOM 65 CB PRO A 632 -28.174 39.384 3.333 1.00 14.50 C ATOM 66 CG PRO A 632 -28.298 40.705 3.993 1.00 19.26 C ATOM 67 CD PRO A 632 -27.019 40.909 4.750 1.00 13.06 C ATOM 68 N PHE A 633 -25.187 38.225 3.117 1.00 10.70 N ATOM 69 CA PHE A 633 -24.174 37.425 2.440 1.00 10.38 C ATOM 70 C PHE A 633 -23.653 36.314 3.346 1.00 9.84 C ATOM 71 O PHE A 633 -23.520 35.162 2.918 1.00 10.04 O ATOM 72 CB PHE A 633 -23.038 38.332 1.963 1.00 12.10 C ATOM 73 CG PHE A 633 -21.960 37.595 1.231 1.00 11.35 C ATOM 74 CD1 PHE A 633 -22.210 37.028 -0.005 1.00 14.19 C ATOM 75 CD2 PHE A 633 -20.704 37.457 1.786 1.00 12.30 C ATOM 76 CE1 PHE A 633 -21.208 36.339 -0.682 1.00 13.83 C ATOM 77 CE2 PHE A 633 -19.705 36.770 1.119 1.00 12.93 C ATOM 78 CZ PHE A 633 -19.962 36.205 -0.111 1.00 13.31 C ATOM 79 H PHE A 633 -25.013 39.235 3.296 1.00 0.00 H ATOM 80 N LEU A 634 -23.379 36.629 4.612 1.00 9.63 N ATOM 81 CA LEU A 634 -22.900 35.602 5.528 1.00 10.00 C ATOM 82 C LEU A 634 -23.963 34.547 5.780 1.00 9.26 C ATOM 83 O LEU A 634 -23.642 33.362 5.891 1.00 10.11 O ATOM 84 CB LEU A 634 -22.445 36.229 6.839 1.00 12.11 C ATOM 85 CG LEU A 634 -21.226 37.136 6.700 1.00 13.65 C ATOM 86 CD1 LEU A 634 -20.839 37.689 8.059 1.00 20.38 C ATOM 87 CD2 LEU A 634 -20.046 36.410 6.059 1.00 17.87 C ATOM 88 H LEU A 634 -23.507 37.606 4.945 1.00 0.00 H ATOM 89 N ILE A 635 -25.231 34.955 5.888 1.00 9.78 N ATOM 90 CA ILE A 635 -26.313 33.988 6.055 1.00 10.70 C ATOM 91 C ILE A 635 -26.341 33.026 4.875 1.00 9.69 C ATOM 92 O ILE A 635 -26.487 31.810 5.047 1.00 9.60 O ATOM 93 CB ILE A 635 -27.648 34.727 6.248 1.00 10.37 C ATOM 94 CG1 ILE A 635 -27.695 35.349 7.647 1.00 12.42 C ATOM 95 CG2 ILE A 635 -28.813 33.789 6.046 1.00 13.04 C ATOM 96 CD1 ILE A 635 -28.802 36.372 7.858 1.00 13.38 C ATOM 97 H ILE A 635 -25.450 35.971 5.853 1.00 0.00 H ATOM 98 N LEU A 636 -26.178 33.558 3.661 1.00 9.50 N ATOM 99 CA LEU A 636 -26.132 32.712 2.473 1.00 9.66 C ATOM 100 C LEU A 636 -24.936 31.768 2.506 1.00 9.34 C ATOM 101 O LEU A 636 -25.061 30.585 2.171 1.00 9.05 O ATOM 102 CB LEU A 636 -26.085 33.584 1.220 1.00 10.03 C ATOM 103 CG LEU A 636 -25.822 32.842 -0.094 1.00 11.18 C ATOM 104 CD1 LEU A 636 -26.948 31.870 -0.434 1.00 13.54 C ATOM 105 CD2 LEU A 636 -25.592 33.832 -1.236 1.00 15.22 C ATOM 106 H LEU A 636 -26.083 34.589 3.561 1.00 0.00 H ATOM 107 N LEU A 637 -23.761 32.267 2.893 1.00 8.55 N ATOM 108 CA LEU A 637 -22.601 31.383 2.953 1.00 8.34 C ATOM 109 C LEU A 637 -22.796 30.276 3.977 1.00 8.72 C ATOM 110 O LEU A 637 -22.384 29.135 3.740 1.00 8.81 O ATOM 111 CB LEU A 637 -21.320 32.151 3.245 1.00 10.25 C ATOM 112 CG LEU A 637 -20.791 33.078 2.157 1.00 10.73 C ATOM 113 CD1 LEU A 637 -19.375 33.521 2.500 1.00 13.22 C ATOM 114 CD2 LEU A 637 -20.829 32.417 0.792 1.00 12.87 C ATOM 115 H LEU A 637 -23.673 33.271 3.148 1.00 0.00 H ATOM 116 N ARG A 638 -23.404 30.586 5.124 1.00 9.29 N ATOM 117 CA ARG A 638 -23.637 29.556 6.131 1.00 9.22 C ATOM 118 C ARG A 638 -24.538 28.463 5.584 1.00 9.50 C ATOM 119 O ARG A 638 -24.268 27.268 5.768 1.00 9.91 O ATOM 120 CB ARG A 638 -24.275 30.168 7.380 1.00 11.26 C ATOM 121 CG ARG A 638 -23.351 31.012 8.215 1.00 11.64 C ATOM 122 CD ARG A 638 -24.048 31.588 9.450 1.00 14.09 C ATOM 123 NE ARG A 638 -23.160 32.574 10.047 1.00 14.52 N ATOM 124 CZ ARG A 638 -23.377 33.881 10.065 1.00 13.94 C ATOM 125 NH1 ARG A 638 -24.503 34.392 9.576 1.00 15.30 N ATOM 126 NH2 ARG A 638 -22.450 34.675 10.571 1.00 15.41 N ATOM 127 HE ARG A 638 -22.288 32.226 10.494 1.00 0.00 H ATOM 128 HH12 ARG A 638 -24.660 35.420 9.597 1.00 0.00 H ATOM 129 HH11 ARG A 638 -25.227 33.764 9.173 1.00 0.00 H ATOM 130 HH22 ARG A 638 -22.602 35.704 10.594 1.00 0.00 H ATOM 131 HH21 ARG A 638 -21.568 34.271 10.946 1.00 0.00 H ATOM 132 H ARG A 638 -23.712 31.563 5.300 1.00 0.00 H ATOM 133 N LYS A 639 -25.624 28.861 4.915 1.00 8.86 N ATOM 134 CA LYS A 639 -26.540 27.891 4.326 1.00 9.87 C ATOM 135 C LYS A 639 -25.841 27.070 3.259 1.00 8.78 C ATOM 136 O LYS A 639 -26.016 25.846 3.180 1.00 9.95 O ATOM 137 CB LYS A 639 -27.736 28.615 3.710 1.00 12.28 C ATOM 138 CG LYS A 639 -28.764 27.673 3.092 1.00 15.16 C ATOM 139 CD LYS A 639 -29.960 28.417 2.519 1.00 29.37 C ATOM 140 CE LYS A 639 -29.528 29.608 1.685 1.00 42.93 C ATOM 141 NZ LYS A 639 -30.318 29.716 0.427 1.00 49.02 N ATOM 142 HZ1 LYS A 639 -30.185 28.854 -0.139 1.00 0.00 H ATOM 143 HZ2 LYS A 639 -31.325 29.827 0.660 1.00 0.00 H ATOM 144 HZ3 LYS A 639 -29.993 30.542 -0.115 1.00 0.00 H ATOM 145 H LYS A 639 -25.819 29.877 4.813 1.00 0.00 H ATOM 146 N THR A 640 -25.044 27.735 2.421 1.00 8.48 N ATOM 147 CA THR A 640 -24.341 27.042 1.346 1.00 8.06 C ATOM 148 C THR A 640 -23.339 26.047 1.905 1.00 7.47 C ATOM 149 O THR A 640 -23.208 24.926 1.395 1.00 8.47 O ATOM 150 CB THR A 640 -23.637 28.063 0.449 1.00 8.47 C ATOM 151 OG1 THR A 640 -24.589 29.028 -0.023 1.00 10.09 O ATOM 152 CG2 THR A 640 -22.998 27.394 -0.748 1.00 9.54 C ATOM 153 HG1 THR A 640 -24.996 29.494 0.750 1.00 0.00 H ATOM 154 H THR A 640 -24.922 28.761 2.535 1.00 0.00 H ATOM 155 N LEU A 641 -22.595 26.452 2.938 1.00 8.22 N ATOM 156 CA LEU A 641 -21.640 25.543 3.555 1.00 8.37 C ATOM 157 C LEU A 641 -22.343 24.313 4.121 1.00 8.23 C ATOM 158 O LEU A 641 -21.868 23.185 3.957 1.00 9.38 O ATOM 159 CB LEU A 641 -20.849 26.278 4.635 1.00 9.88 C ATOM 160 CG LEU A 641 -19.767 25.481 5.361 1.00 10.51 C ATOM 161 CD1 LEU A 641 -18.776 24.865 4.396 1.00 14.95 C ATOM 162 CD2 LEU A 641 -19.046 26.369 6.368 1.00 13.79 C ATOM 163 H LEU A 641 -22.698 27.420 3.303 1.00 0.00 H ATOM 164 N GLU A 642 -23.491 24.507 4.769 1.00 8.85 N ATOM 165 CA GLU A 642 -24.268 23.370 5.255 1.00 9.84 C ATOM 166 C GLU A 642 -24.704 22.461 4.112 1.00 9.36 C ATOM 167 O GLU A 642 -24.656 21.231 4.237 1.00 10.16 O ATOM 168 CB GLU A 642 -25.485 23.870 6.029 1.00 12.42 C ATOM 169 CG GLU A 642 -25.152 24.513 7.362 1.00 20.51 C ATOM 170 CD GLU A 642 -26.393 24.917 8.136 1.00 46.02 C ATOM 171 OE1 GLU A 642 -26.448 24.653 9.358 1.00 52.63 O ATOM 172 OE2 GLU A 642 -27.317 25.488 7.521 1.00 49.34 O ATOM 173 H GLU A 642 -23.836 25.475 4.930 1.00 0.00 H ATOM 174 N GLN A 643 -25.142 23.044 2.995 1.00 8.64 N ATOM 175 CA GLN A 643 -25.542 22.240 1.844 1.00 9.58 C ATOM 176 C GLN A 643 -24.371 21.443 1.287 1.00 8.93 C ATOM 177 O GLN A 643 -24.537 20.290 0.871 1.00 10.51 O ATOM 178 CB GLN A 643 -26.141 23.136 0.762 1.00 10.04 C ATOM 179 CG GLN A 643 -27.500 23.710 1.140 1.00 11.77 C ATOM 180 CD GLN A 643 -28.006 24.755 0.157 1.00 13.37 C ATOM 181 OE1 GLN A 643 -27.229 25.487 -0.458 1.00 14.52 O ATOM 182 NE2 GLN A 643 -29.329 24.846 0.024 1.00 18.03 N ATOM 183 HE22 GLN A 643 -29.951 24.209 0.562 1.00 0.00 H ATOM 184 HE21 GLN A 643 -29.740 25.554 -0.617 1.00 0.00 H ATOM 185 H GLN A 643 -25.199 24.081 2.944 1.00 0.00 H ATOM 186 N LEU A 644 -23.182 22.039 1.259 1.00 8.99 N ATOM 187 CA LEU A 644 -22.008 21.312 0.786 1.00 9.45 C ATOM 188 C LEU A 644 -21.655 20.172 1.730 1.00 9.04 C ATOM 189 O LEU A 644 -21.376 19.049 1.287 1.00 9.93 O ATOM 190 CB LEU A 644 -20.827 22.274 0.641 1.00 10.02 C ATOM 191 CG LEU A 644 -20.968 23.329 -0.457 1.00 10.39 C ATOM 192 CD1 LEU A 644 -19.860 24.373 -0.337 1.00 11.68 C ATOM 193 CD2 LEU A 644 -20.970 22.695 -1.839 1.00 11.44 C ATOM 194 H LEU A 644 -23.089 23.025 1.575 1.00 0.00 H ATOM 195 N GLN A 645 -21.671 20.440 3.034 1.00 9.49 N ATOM 196 CA GLN A 645 -21.369 19.399 4.011 1.00 10.83 C ATOM 197 C GLN A 645 -22.355 18.253 3.939 1.00 10.84 C ATOM 198 O GLN A 645 -21.977 17.095 4.169 1.00 12.59 O ATOM 199 CB GLN A 645 -21.373 19.976 5.424 1.00 13.49 C ATOM 200 CG GLN A 645 -20.240 20.921 5.672 1.00 14.92 C ATOM 201 CD GLN A 645 -19.690 20.839 7.074 1.00 19.93 C ATOM 202 OE1 GLN A 645 -19.220 19.784 7.517 1.00 23.42 O ATOM 203 NE2 GLN A 645 -19.720 21.961 7.775 1.00 22.91 N ATOM 204 HE22 GLN A 645 -20.126 22.823 7.359 1.00 0.00 H ATOM 205 HE21 GLN A 645 -19.338 21.980 8.742 1.00 0.00 H ATOM 206 H GLN A 645 -21.901 21.401 3.359 1.00 0.00 H ATOM 207 N GLU A 646 -23.612 18.541 3.609 1.00 10.43 N ATOM 208 CA GLU A 646 -24.600 17.480 3.477 1.00 13.36 C ATOM 209 C GLU A 646 -24.229 16.501 2.375 1.00 10.38 C ATOM 210 O GLU A 646 -24.618 15.330 2.428 1.00 12.63 O ATOM 211 CB GLU A 646 -25.964 18.092 3.170 1.00 13.28 C ATOM 212 CG GLU A 646 -26.732 18.589 4.368 1.00 21.90 C ATOM 213 CD GLU A 646 -27.970 19.358 3.956 1.00 48.67 C ATOM 214 OE1 GLU A 646 -28.543 20.070 4.806 1.00 55.41 O ATOM 215 OE2 GLU A 646 -28.363 19.254 2.774 1.00 52.53 O ATOM 216 H GLU A 646 -23.890 19.530 3.445 1.00 0.00 H ATOM 217 N LYS A 647 -23.513 16.961 1.352 1.00 10.34 N ATOM 218 CA LYS A 647 -23.087 16.069 0.277 1.00 10.90 C ATOM 219 C LYS A 647 -21.980 15.120 0.713 1.00 12.29 C ATOM 220 O LYS A 647 -21.812 14.059 0.097 1.00 13.31 O ATOM 221 CB LYS A 647 -22.643 16.876 -0.944 1.00 11.32 C ATOM 222 CG LYS A 647 -23.701 17.837 -1.476 1.00 12.15 C ATOM 223 CD LYS A 647 -24.971 17.131 -1.897 1.00 14.37 C ATOM 224 CE LYS A 647 -25.919 18.106 -2.589 1.00 18.14 C ATOM 225 NZ LYS A 647 -27.234 17.489 -2.891 1.00 22.92 N ATOM 226 HZ1 LYS A 647 -27.096 16.671 -3.518 1.00 0.00 H ATOM 227 HZ2 LYS A 647 -27.681 17.177 -2.005 1.00 0.00 H ATOM 228 HZ3 LYS A 647 -27.844 18.188 -3.360 1.00 0.00 H ATOM 229 H LYS A 647 -23.254 17.968 1.318 1.00 0.00 H ATOM 230 N ASP A 648 -21.228 15.477 1.755 1.00 10.11 N ATOM 231 CA ASP A 648 -20.152 14.653 2.309 1.00 10.04 C ATOM 232 C ASP A 648 -20.778 13.775 3.390 1.00 8.94 C ATOM 233 O ASP A 648 -20.679 14.030 4.589 1.00 9.86 O ATOM 234 CB ASP A 648 -19.051 15.564 2.852 1.00 11.74 C ATOM 235 CG ASP A 648 -17.965 14.823 3.629 1.00 11.07 C ATOM 236 OD1 ASP A 648 -17.773 13.609 3.425 1.00 11.42 O ATOM 237 OD2 ASP A 648 -17.279 15.483 4.442 1.00 11.31 O ATOM 238 H ASP A 648 -21.418 16.397 2.201 1.00 0.00 H ATOM 239 N THR A 649 -21.455 12.709 2.937 1.00 9.88 N ATOM 240 CA THR A 649 -22.267 11.911 3.857 1.00 10.89 C ATOM 241 C THR A 649 -21.414 11.127 4.847 1.00 10.61 C ATOM 242 O THR A 649 -21.876 10.835 5.953 1.00 12.88 O ATOM 243 CB THR A 649 -23.193 10.962 3.099 1.00 12.19 C ATOM 244 OG1 THR A 649 -22.399 10.061 2.326 1.00 12.54 O ATOM 245 CG2 THR A 649 -24.130 11.738 2.188 1.00 14.46 C ATOM 246 HG1 THR A 649 -22.992 9.442 1.831 1.00 0.00 H ATOM 247 H THR A 649 -21.403 12.449 1.931 1.00 0.00 H ATOM 248 N GLY A 650 -20.186 10.769 4.472 1.00 10.30 N ATOM 249 CA GLY A 650 -19.275 10.113 5.395 1.00 12.53 C ATOM 250 C GLY A 650 -18.536 11.048 6.326 1.00 10.50 C ATOM 251 O GLY A 650 -17.803 10.580 7.205 1.00 12.30 O ATOM 252 H GLY A 650 -19.873 10.963 3.499 1.00 0.00 H ATOM 253 N ASN A 651 -18.706 12.359 6.139 1.00 10.48 N ATOM 254 CA ASN A 651 -18.020 13.378 6.935 1.00 11.04 C ATOM 255 C ASN A 651 -16.501 13.290 6.825 1.00 11.27 C ATOM 256 O ASN A 651 -15.779 13.747 7.717 1.00 12.68 O ATOM 257 CB ASN A 651 -18.495 13.390 8.393 1.00 13.87 C ATOM 258 CG ASN A 651 -19.907 13.908 8.525 1.00 15.57 C ATOM 259 OD1 ASN A 651 -20.334 14.760 7.749 1.00 19.68 O ATOM 260 ND2 ASN A 651 -20.641 13.396 9.506 1.00 26.33 N ATOM 261 HD22 ASN A 651 -20.235 12.676 10.138 1.00 0.00 H ATOM 262 HD21 ASN A 651 -21.622 13.715 9.642 1.00 0.00 H ATOM 263 H ASN A 651 -19.358 12.671 5.391 1.00 0.00 H ATOM 264 N ILE A 652 -15.992 12.757 5.714 1.00 9.86 N ATOM 265 CA ILE A 652 -14.548 12.581 5.596 1.00 9.03 C ATOM 266 C ILE A 652 -13.822 13.893 5.343 1.00 9.76 C ATOM 267 O ILE A 652 -12.604 13.968 5.561 1.00 10.56 O ATOM 268 CB ILE A 652 -14.195 11.485 4.571 1.00 10.69 C ATOM 269 CG1 ILE A 652 -14.675 11.873 3.174 1.00 10.56 C ATOM 270 CG2 ILE A 652 -14.787 10.146 4.998 1.00 12.70 C ATOM 271 CD1 ILE A 652 -14.313 10.841 2.106 1.00 11.86 C ATOM 272 H ILE A 652 -16.620 12.469 4.937 1.00 0.00 H ATOM 273 N PHE A 653 -14.533 14.921 4.885 1.00 9.07 N ATOM 274 CA PHE A 653 -13.958 16.243 4.668 1.00 9.45 C ATOM 275 C PHE A 653 -14.313 17.220 5.787 1.00 9.43 C ATOM 276 O PHE A 653 -14.061 18.428 5.657 1.00 9.93 O ATOM 277 CB PHE A 653 -14.390 16.793 3.309 1.00 9.83 C ATOM 278 CG PHE A 653 -14.024 15.901 2.152 1.00 9.61 C ATOM 279 CD1 PHE A 653 -12.701 15.740 1.770 1.00 9.35 C ATOM 280 CD2 PHE A 653 -14.998 15.214 1.449 1.00 10.43 C ATOM 281 CE1 PHE A 653 -12.362 14.924 0.706 1.00 10.45 C ATOM 282 CE2 PHE A 653 -14.661 14.386 0.389 1.00 10.58 C ATOM 283 CZ PHE A 653 -13.340 14.248 0.023 1.00 10.70 C ATOM 284 H PHE A 653 -15.541 14.775 4.673 1.00 0.00 H ATOM 285 N SER A 654 -14.857 16.718 6.900 1.00 9.58 N ATOM 286 CA SER A 654 -15.379 17.586 7.950 1.00 11.29 C ATOM 287 C SER A 654 -14.284 18.254 8.777 1.00 11.49 C ATOM 288 O SER A 654 -14.509 19.345 9.312 1.00 12.90 O ATOM 289 CB SER A 654 -16.306 16.796 8.874 1.00 11.96 C ATOM 290 OG SER A 654 -17.518 16.466 8.219 1.00 17.52 O ATOM 291 HG SER A 654 -17.979 17.297 7.942 1.00 0.00 H ATOM 292 H SER A 654 -14.909 15.686 7.020 1.00 0.00 H ATOM 293 N GLU A 655 -13.127 17.628 8.915 1.00 10.79 N ATOM 294 CA GLU A 655 -12.045 18.142 9.753 1.00 11.01 C ATOM 295 C GLU A 655 -10.737 18.057 8.994 1.00 10.77 C ATOM 296 O GLU A 655 -10.630 17.317 8.009 1.00 10.24 O ATOM 297 CB GLU A 655 -11.950 17.322 11.048 1.00 14.40 C ATOM 298 CG GLU A 655 -13.163 17.458 11.950 1.00 19.99 C ATOM 299 CD GLU A 655 -13.096 16.542 13.158 1.00 37.24 C ATOM 300 OE1 GLU A 655 -12.252 15.622 13.162 1.00 44.91 O ATOM 301 OE2 GLU A 655 -13.891 16.740 14.101 1.00 44.22 O ATOM 302 H GLU A 655 -12.981 16.733 8.406 1.00 0.00 H ATOM 303 N PRO A 656 -9.701 18.794 9.425 1.00 10.88 N ATOM 304 CA PRO A 656 -8.419 18.735 8.711 1.00 11.02 C ATOM 305 C PRO A 656 -7.918 17.302 8.575 1.00 11.19 C ATOM 306 O PRO A 656 -8.060 16.485 9.487 1.00 11.50 O ATOM 307 CB PRO A 656 -7.479 19.557 9.600 1.00 12.91 C ATOM 308 CG PRO A 656 -8.362 20.517 10.304 1.00 14.20 C ATOM 309 CD PRO A 656 -9.664 19.782 10.528 1.00 12.81 C ATOM 310 N VAL A 657 -7.321 17.005 7.428 1.00 10.95 N ATOM 311 CA VAL A 657 -6.596 15.751 7.254 1.00 11.09 C ATOM 312 C VAL A 657 -5.619 15.608 8.415 1.00 11.73 C ATOM 313 O VAL A 657 -4.895 16.565 8.731 1.00 11.71 O ATOM 314 CB VAL A 657 -5.879 15.718 5.895 1.00 11.61 C ATOM 315 CG1 VAL A 657 -4.903 14.544 5.814 1.00 13.54 C ATOM 316 CG2 VAL A 657 -6.894 15.679 4.757 1.00 11.28 C ATOM 317 H VAL A 657 -7.371 17.679 6.638 1.00 0.00 H ATOM 318 N PRO A 658 -5.580 14.453 9.091 1.00 11.60 N ATOM 319 CA PRO A 658 -4.738 14.332 10.290 1.00 14.81 C ATOM 320 C PRO A 658 -3.262 14.186 9.952 1.00 13.17 C ATOM 321 O PRO A 658 -2.802 13.101 9.577 1.00 15.67 O ATOM 322 CB PRO A 658 -5.293 13.079 10.983 1.00 14.57 C ATOM 323 CG PRO A 658 -5.899 12.284 9.878 1.00 16.90 C ATOM 324 CD PRO A 658 -6.462 13.285 8.908 1.00 13.57 C ATOM 325 N LEU A 659 -2.510 15.282 10.096 1.00 13.12 N ATOM 326 CA LEU A 659 -1.123 15.300 9.637 1.00 13.74 C ATOM 327 C LEU A 659 -0.252 14.317 10.402 1.00 16.19 C ATOM 328 O LEU A 659 0.770 13.862 9.876 1.00 18.50 O ATOM 329 CB LEU A 659 -0.550 16.712 9.731 1.00 14.68 C ATOM 330 CG LEU A 659 -1.248 17.766 8.875 1.00 15.05 C ATOM 331 CD1 LEU A 659 -0.544 19.112 9.019 1.00 17.30 C ATOM 332 CD2 LEU A 659 -1.319 17.340 7.415 1.00 16.51 C ATOM 333 H LEU A 659 -2.916 16.130 10.539 1.00 0.00 H ATOM 334 N SER A 660 -0.631 13.981 11.635 1.00 15.46 N ATOM 335 CA SER A 660 0.124 12.986 12.389 1.00 22.81 C ATOM 336 C SER A 660 0.122 11.628 11.702 1.00 21.71 C ATOM 337 O SER A 660 1.035 10.825 11.925 1.00 25.04 O ATOM 338 CB SER A 660 -0.429 12.858 13.809 1.00 25.76 C ATOM 339 OG SER A 660 -1.764 12.388 13.795 1.00 32.14 O ATOM 340 HG SER A 660 -1.795 11.499 13.361 1.00 0.00 H ATOM 341 H SER A 660 -1.467 14.429 12.061 1.00 0.00 H ATOM 342 N GLU A 661 -0.877 11.358 10.867 1.00 18.45 N ATOM 343 CA GLU A 661 -0.966 10.097 10.147 1.00 20.99 C ATOM 344 C GLU A 661 -0.325 10.145 8.767 1.00 19.96 C ATOM 345 O GLU A 661 -0.060 9.084 8.191 1.00 23.34 O ATOM 346 CB GLU A 661 -2.435 9.694 9.988 1.00 28.20 C ATOM 347 CG GLU A 661 -3.253 9.776 11.268 1.00 37.14 C ATOM 348 CD GLU A 661 -2.714 8.884 12.369 1.00 53.24 C ATOM 349 OE1 GLU A 661 -2.446 9.397 13.476 1.00 58.28 O ATOM 350 OE2 GLU A 661 -2.563 7.668 12.127 1.00 57.29 O ATOM 351 H GLU A 661 -1.619 12.072 10.724 1.00 0.00 H ATOM 352 N VAL A 662 -0.077 11.332 8.217 1.00 19.15 N ATOM 353 CA VAL A 662 0.474 11.460 6.866 1.00 18.37 C ATOM 354 C VAL A 662 1.602 12.484 6.859 1.00 18.42 C ATOM 355 O VAL A 662 1.400 13.630 6.427 1.00 17.34 O ATOM 356 CB VAL A 662 -0.612 11.782 5.822 1.00 19.36 C ATOM 357 CG1 VAL A 662 -1.329 10.511 5.398 1.00 22.31 C ATOM 358 CG2 VAL A 662 -1.601 12.807 6.358 1.00 22.07 C ATOM 359 H VAL A 662 -0.281 12.194 8.763 1.00 0.00 H ATOM 360 N PRO A 663 2.801 12.120 7.328 1.00 19.91 N ATOM 361 CA PRO A 663 3.896 13.101 7.389 1.00 19.99 C ATOM 362 C PRO A 663 4.357 13.602 6.034 1.00 18.73 C ATOM 363 O PRO A 663 5.087 14.601 5.990 1.00 20.30 O ATOM 364 CB PRO A 663 5.018 12.348 8.122 1.00 21.87 C ATOM 365 CG PRO A 663 4.666 10.907 7.991 1.00 20.94 C ATOM 366 CD PRO A 663 3.170 10.843 7.962 1.00 20.47 C ATOM 367 N ASP A 664 3.960 12.963 4.933 1.00 17.94 N ATOM 368 CA ASP A 664 4.285 13.467 3.605 1.00 19.01 C ATOM 369 C ASP A 664 3.178 14.322 2.992 1.00 15.89 C ATOM 370 O ASP A 664 3.347 14.805 1.870 1.00 20.12 O ATOM 371 CB ASP A 664 4.673 12.320 2.657 1.00 21.22 C ATOM 372 CG ASP A 664 3.480 11.495 2.200 1.00 21.77 C ATOM 373 OD1 ASP A 664 2.448 11.468 2.897 1.00 19.15 O ATOM 374 OD2 ASP A 664 3.577 10.852 1.129 1.00 24.01 O ATOM 375 H ASP A 664 3.407 12.087 5.024 1.00 0.00 H ATOM 376 N TYR A 665 2.064 14.541 3.703 1.00 14.50 N ATOM 377 CA TYR A 665 0.937 15.269 3.124 1.00 16.00 C ATOM 378 C TYR A 665 1.351 16.667 2.681 1.00 13.84 C ATOM 379 O TYR A 665 1.054 17.091 1.556 1.00 14.69 O ATOM 380 CB TYR A 665 -0.212 15.333 4.132 1.00 12.80 C ATOM 381 CG TYR A 665 -1.514 15.840 3.546 1.00 12.61 C ATOM 382 CD1 TYR A 665 -2.312 15.026 2.735 1.00 11.97 C ATOM 383 CD2 TYR A 665 -1.947 17.137 3.797 1.00 13.42 C ATOM 384 CE1 TYR A 665 -3.504 15.493 2.202 1.00 11.19 C ATOM 385 CE2 TYR A 665 -3.136 17.610 3.269 1.00 12.71 C ATOM 386 CZ TYR A 665 -3.902 16.787 2.471 1.00 11.01 C ATOM 387 OH TYR A 665 -5.072 17.286 1.952 1.00 11.57 O ATOM 388 HH TYR A 665 -5.512 16.589 1.404 1.00 0.00 H ATOM 389 H TYR A 665 2.000 14.188 4.679 1.00 0.00 H ATOM 390 N LEU A 666 2.059 17.395 3.549 1.00 15.21 N ATOM 391 CA LEU A 666 2.492 18.745 3.212 1.00 17.72 C ATOM 392 C LEU A 666 3.618 18.775 2.186 1.00 17.59 C ATOM 393 O LEU A 666 3.978 19.863 1.723 1.00 21.74 O ATOM 394 CB LEU A 666 2.888 19.515 4.474 1.00 17.78 C ATOM 395 CG LEU A 666 1.744 19.782 5.456 1.00 17.22 C ATOM 396 CD1 LEU A 666 2.239 20.585 6.653 1.00 17.34 C ATOM 397 CD2 LEU A 666 0.577 20.493 4.777 1.00 18.07 C ATOM 398 H LEU A 666 2.304 16.993 4.476 1.00 0.00 H ATOM 399 N ASP A 667 4.184 17.624 1.819 1.00 18.03 N ATOM 400 CA ASP A 667 5.101 17.602 0.684 1.00 22.78 C ATOM 401 C ASP A 667 4.356 17.807 -0.627 1.00 27.26 C ATOM 402 O ASP A 667 4.944 18.268 -1.611 1.00 29.61 O ATOM 403 CB ASP A 667 5.861 16.275 0.631 1.00 25.68 C ATOM 404 CG ASP A 667 6.659 16.002 1.891 1.00 33.17 C ATOM 405 OD1 ASP A 667 6.974 16.963 2.621 1.00 29.14 O ATOM 406 OD2 ASP A 667 6.976 14.820 2.146 1.00 39.75 O ATOM 407 H ASP A 667 3.973 16.748 2.338 1.00 0.00 H ATOM 408 N HIS A 668 3.068 17.471 -0.658 1.00 19.16 N ATOM 409 CA HIS A 668 2.264 17.559 -1.867 1.00 19.42 C ATOM 410 C HIS A 668 1.244 18.679 -1.833 1.00 18.78 C ATOM 411 O HIS A 668 0.909 19.225 -2.886 1.00 22.22 O ATOM 412 CB HIS A 668 1.516 16.243 -2.107 1.00 24.37 C ATOM 413 CG HIS A 668 2.416 15.065 -2.297 1.00 34.09 C ATOM 414 ND1 HIS A 668 2.799 14.246 -1.258 1.00 36.95 N ATOM 415 CD2 HIS A 668 3.013 14.571 -3.407 1.00 39.95 C ATOM 416 CE1 HIS A 668 3.591 13.295 -1.720 1.00 41.59 C ATOM 417 NE2 HIS A 668 3.737 13.470 -3.021 1.00 42.29 N ATOM 418 H HIS A 668 2.619 17.132 0.217 1.00 0.00 H ATOM 419 N ILE A 669 0.749 19.034 -0.652 1.00 16.39 N ATOM 420 CA ILE A 669 -0.411 19.902 -0.504 1.00 14.82 C ATOM 421 C ILE A 669 0.044 21.220 0.108 1.00 17.09 C ATOM 422 O ILE A 669 0.479 21.258 1.266 1.00 17.80 O ATOM 423 CB ILE A 669 -1.491 19.229 0.357 1.00 14.49 C ATOM 424 CG1 ILE A 669 -1.921 17.894 -0.264 1.00 16.33 C ATOM 425 CG2 ILE A 669 -2.656 20.169 0.563 1.00 15.48 C ATOM 426 CD1 ILE A 669 -2.318 17.987 -1.726 1.00 17.34 C ATOM 427 H ILE A 669 1.212 18.675 0.207 1.00 0.00 H ATOM 428 N LYS A 670 -0.098 22.305 -0.657 1.00 15.99 N ATOM 429 CA LYS A 670 0.358 23.613 -0.198 1.00 18.00 C ATOM 430 C LYS A 670 -0.575 24.195 0.858 1.00 17.74 C ATOM 431 O LYS A 670 -0.118 24.800 1.835 1.00 19.02 O ATOM 432 CB LYS A 670 0.469 24.561 -1.392 1.00 23.70 C ATOM 433 CG LYS A 670 0.752 26.005 -1.022 1.00 29.07 C ATOM 434 H LYS A 670 -0.540 22.217 -1.594 1.00 0.00 H ATOM 435 N LYS A 671 -1.885 24.017 0.688 1.00 14.48 N ATOM 436 CA LYS A 671 -2.876 24.617 1.578 1.00 13.89 C ATOM 437 C LYS A 671 -3.966 23.598 1.878 1.00 11.98 C ATOM 438 O LYS A 671 -4.942 23.468 1.126 1.00 11.90 O ATOM 439 CB LYS A 671 -3.473 25.884 0.966 1.00 15.45 C ATOM 440 CG LYS A 671 -4.377 26.643 1.918 1.00 17.65 C ATOM 441 CD LYS A 671 -4.876 27.935 1.296 1.00 20.37 C ATOM 442 CE LYS A 671 -5.855 28.642 2.214 1.00 24.21 C ATOM 443 NZ LYS A 671 -6.250 29.968 1.669 1.00 25.39 N ATOM 444 HZ1 LYS A 671 -5.404 30.565 1.565 1.00 0.00 H ATOM 445 HZ2 LYS A 671 -6.701 29.840 0.741 1.00 0.00 H ATOM 446 HZ3 LYS A 671 -6.920 30.424 2.321 1.00 0.00 H ATOM 447 H LYS A 671 -2.213 23.431 -0.106 1.00 0.00 H ATOM 448 N PRO A 672 -3.829 22.850 2.975 1.00 11.55 N ATOM 449 CA PRO A 672 -4.906 21.936 3.388 1.00 11.17 C ATOM 450 C PRO A 672 -6.204 22.705 3.612 1.00 10.85 C ATOM 451 O PRO A 672 -6.194 23.882 3.971 1.00 11.41 O ATOM 452 CB PRO A 672 -4.377 21.347 4.703 1.00 11.81 C ATOM 453 CG PRO A 672 -2.881 21.486 4.609 1.00 14.28 C ATOM 454 CD PRO A 672 -2.654 22.768 3.860 1.00 14.60 C ATOM 455 N MET A 673 -7.334 22.033 3.408 1.00 9.79 N ATOM 456 CA MET A 673 -8.628 22.652 3.660 1.00 10.07 C ATOM 457 C MET A 673 -9.622 21.565 4.041 1.00 8.99 C ATOM 458 O MET A 673 -9.473 20.400 3.661 1.00 9.88 O ATOM 459 CB MET A 673 -9.098 23.463 2.439 1.00 10.02 C ATOM 460 CG MET A 673 -10.324 24.352 2.655 1.00 10.40 C ATOM 461 SD MET A 673 -10.218 25.446 4.090 1.00 11.03 S ATOM 462 CE MET A 673 -8.701 26.342 3.753 1.00 13.01 C ATOM 463 H MET A 673 -7.293 21.052 3.064 1.00 0.00 H ATOM 464 N ASP A 674 -10.656 21.972 4.771 1.00 9.03 N ATOM 465 CA ASP A 674 -11.717 21.084 5.232 1.00 9.32 C ATOM 466 C ASP A 674 -12.884 21.967 5.650 1.00 8.24 C ATOM 467 O ASP A 674 -12.744 23.183 5.774 1.00 9.36 O ATOM 468 CB ASP A 674 -11.251 20.267 6.433 1.00 9.98 C ATOM 469 CG ASP A 674 -10.952 21.151 7.613 1.00 11.54 C ATOM 470 OD1 ASP A 674 -9.836 21.720 7.671 1.00 12.80 O ATOM 471 OD2 ASP A 674 -11.861 21.352 8.446 1.00 12.72 O ATOM 472 H ASP A 674 -10.711 22.978 5.027 1.00 0.00 H ATOM 473 N PHE A 675 -14.032 21.345 5.905 1.00 8.70 N ATOM 474 CA PHE A 675 -15.236 22.134 6.154 1.00 8.67 C ATOM 475 C PHE A 675 -15.216 22.841 7.509 1.00 9.98 C ATOM 476 O PHE A 675 -15.830 23.910 7.644 1.00 10.05 O ATOM 477 CB PHE A 675 -16.468 21.249 6.066 1.00 9.59 C ATOM 478 CG PHE A 675 -16.849 20.857 4.664 1.00 8.79 C ATOM 479 CD1 PHE A 675 -17.052 21.810 3.678 1.00 10.28 C ATOM 480 CD2 PHE A 675 -17.043 19.519 4.341 1.00 10.71 C ATOM 481 CE1 PHE A 675 -17.432 21.422 2.394 1.00 11.01 C ATOM 482 CE2 PHE A 675 -17.429 19.141 3.070 1.00 10.94 C ATOM 483 CZ PHE A 675 -17.620 20.084 2.100 1.00 11.39 C ATOM 484 H PHE A 675 -14.072 20.306 5.927 1.00 0.00 H ATOM 485 N PHE A 676 -14.577 22.260 8.530 1.00 9.10 N ATOM 486 CA PHE A 676 -14.487 22.951 9.812 1.00 10.21 C ATOM 487 C PHE A 676 -13.668 24.228 9.679 1.00 9.43 C ATOM 488 O PHE A 676 -14.058 25.290 10.181 1.00 10.73 O ATOM 489 CB PHE A 676 -13.880 22.029 10.870 1.00 11.48 C ATOM 490 CG PHE A 676 -13.839 22.637 12.238 1.00 16.00 C ATOM 491 CD1 PHE A 676 -14.983 22.690 13.015 1.00 23.08 C ATOM 492 CD2 PHE A 676 -12.672 23.188 12.734 1.00 19.84 C ATOM 493 CE1 PHE A 676 -14.956 23.259 14.275 1.00 26.53 C ATOM 494 CE2 PHE A 676 -12.640 23.758 13.997 1.00 25.55 C ATOM 495 CZ PHE A 676 -13.783 23.794 14.761 1.00 23.24 C ATOM 496 H PHE A 676 -14.147 21.321 8.411 1.00 0.00 H ATOM 497 N THR A 677 -12.532 24.147 8.988 1.00 9.38 N ATOM 498 CA THR A 677 -11.735 25.342 8.735 1.00 11.33 C ATOM 499 C THR A 677 -12.532 26.377 7.950 1.00 9.52 C ATOM 500 O THR A 677 -12.452 27.574 8.239 1.00 10.60 O ATOM 501 CB THR A 677 -10.437 24.957 8.018 1.00 11.19 C ATOM 502 OG1 THR A 677 -9.696 24.050 8.854 1.00 14.11 O ATOM 503 CG2 THR A 677 -9.581 26.183 7.726 1.00 12.93 C ATOM 504 HG1 THR A 677 -9.486 24.493 9.714 1.00 0.00 H ATOM 505 H THR A 677 -12.211 23.226 8.627 1.00 0.00 H ATOM 506 N MET A 678 -13.315 25.935 6.962 1.00 9.02 N ATOM 507 CA MET A 678 -14.146 26.879 6.220 1.00 9.13 C ATOM 508 C MET A 678 -15.141 27.577 7.136 1.00 8.64 C ATOM 509 O MET A 678 -15.357 28.787 7.020 1.00 9.18 O ATOM 510 CB MET A 678 -14.887 26.183 5.078 1.00 8.81 C ATOM 511 CG MET A 678 -13.995 25.778 3.918 1.00 9.94 C ATOM 512 SD MET A 678 -14.891 25.276 2.437 1.00 10.07 S ATOM 513 CE MET A 678 -15.611 26.826 1.922 1.00 11.09 C ATOM 514 H MET A 678 -13.333 24.923 6.722 1.00 0.00 H ATOM 515 N LYS A 679 -15.767 26.832 8.046 1.00 9.44 N ATOM 516 CA LYS A 679 -16.693 27.444 8.996 1.00 9.00 C ATOM 517 C LYS A 679 -15.992 28.478 9.871 1.00 10.25 C ATOM 518 O LYS A 679 -16.528 29.570 10.106 1.00 11.24 O ATOM 519 CB LYS A 679 -17.345 26.356 9.852 1.00 11.04 C ATOM 520 CG LYS A 679 -18.282 26.880 10.938 1.00 14.33 C ATOM 521 CD LYS A 679 -19.434 27.664 10.336 1.00 18.68 C ATOM 522 CE LYS A 679 -20.564 27.832 11.337 1.00 28.35 C ATOM 523 NZ LYS A 679 -21.708 28.587 10.756 1.00 31.94 N ATOM 524 HZ1 LYS A 679 -21.386 29.532 10.464 1.00 0.00 H ATOM 525 HZ2 LYS A 679 -22.076 28.074 9.929 1.00 0.00 H ATOM 526 HZ3 LYS A 679 -22.458 28.681 11.470 1.00 0.00 H ATOM 527 H LYS A 679 -15.595 25.807 8.080 1.00 0.00 H ATOM 528 N GLN A 680 -14.788 28.161 10.357 1.00 10.49 N ATOM 529 CA GLN A 680 -14.048 29.126 11.166 1.00 11.69 C ATOM 530 C GLN A 680 -13.695 30.365 10.353 1.00 11.68 C ATOM 531 O GLN A 680 -13.784 31.492 10.855 1.00 13.27 O ATOM 532 CB GLN A 680 -12.782 28.488 11.738 1.00 14.70 C ATOM 533 CG GLN A 680 -12.990 27.146 12.419 1.00 18.69 C ATOM 534 CD GLN A 680 -14.186 27.134 13.346 1.00 20.31 C ATOM 535 OE1 GLN A 680 -14.218 27.847 14.348 1.00 24.98 O ATOM 536 NE2 GLN A 680 -15.181 26.317 13.015 1.00 20.84 N ATOM 537 HE22 GLN A 680 -15.110 25.732 12.158 1.00 0.00 H ATOM 538 HE21 GLN A 680 -16.030 26.263 13.613 1.00 0.00 H ATOM 539 H GLN A 680 -14.378 27.226 10.159 1.00 0.00 H ATOM 540 N ASN A 681 -13.289 30.174 9.096 1.00 10.71 N ATOM 541 CA ASN A 681 -12.979 31.306 8.231 1.00 11.77 C ATOM 542 C ASN A 681 -14.209 32.167 7.987 1.00 10.23 C ATOM 543 O ASN A 681 -14.126 33.402 8.002 1.00 12.08 O ATOM 544 CB ASN A 681 -12.438 30.799 6.896 1.00 11.71 C ATOM 545 CG ASN A 681 -11.028 30.248 6.996 1.00 12.47 C ATOM 546 OD1 ASN A 681 -10.311 30.507 7.956 1.00 14.96 O ATOM 547 ND2 ASN A 681 -10.624 29.481 5.994 1.00 13.43 N ATOM 548 HD22 ASN A 681 -11.264 29.286 5.198 1.00 0.00 H ATOM 549 HD21 ASN A 681 -9.667 29.074 6.004 1.00 0.00 H ATOM 550 H ASN A 681 -13.193 29.206 8.729 1.00 0.00 H ATOM 551 N LEU A 682 -15.358 31.532 7.753 1.00 10.59 N ATOM 552 CA LEU A 682 -16.603 32.255 7.526 1.00 10.55 C ATOM 553 C LEU A 682 -16.923 33.157 8.710 1.00 11.19 C ATOM 554 O LEU A 682 -17.216 34.350 8.543 1.00 12.49 O ATOM 555 CB LEU A 682 -17.722 31.237 7.295 1.00 10.77 C ATOM 556 CG LEU A 682 -19.072 31.704 6.744 1.00 12.04 C ATOM 557 CD1 LEU A 682 -19.885 30.506 6.335 1.00 13.38 C ATOM 558 CD2 LEU A 682 -19.877 32.541 7.724 1.00 14.99 C ATOM 559 H LEU A 682 -15.366 30.492 7.732 1.00 0.00 H ATOM 560 N GLU A 683 -16.882 32.596 9.919 1.00 12.00 N ATOM 561 CA GLU A 683 -17.250 33.361 11.104 1.00 13.81 C ATOM 562 C GLU A 683 -16.200 34.394 11.484 1.00 15.91 C ATOM 563 O GLU A 683 -16.517 35.342 12.216 1.00 17.60 O ATOM 564 CB GLU A 683 -17.543 32.421 12.271 1.00 18.96 C ATOM 565 CG GLU A 683 -18.668 31.425 12.012 1.00 17.58 C ATOM 566 CD GLU A 683 -19.999 32.073 11.638 1.00 18.50 C ATOM 567 OE1 GLU A 683 -20.862 31.368 11.081 1.00 18.53 O ATOM 568 OE2 GLU A 683 -20.196 33.279 11.907 1.00 19.95 O ATOM 569 H GLU A 683 -16.585 31.604 10.017 1.00 0.00 H ATOM 570 N ALA A 684 -14.971 34.247 11.005 1.00 14.07 N ATOM 571 CA ALA A 684 -13.929 35.242 11.200 1.00 16.23 C ATOM 572 C ALA A 684 -13.944 36.321 10.126 1.00 16.60 C ATOM 573 O ALA A 684 -13.041 37.166 10.099 1.00 18.49 O ATOM 574 CB ALA A 684 -12.556 34.569 11.253 1.00 16.51 C ATOM 575 H ALA A 684 -14.744 33.385 10.469 1.00 0.00 H ATOM 576 N TYR A 685 -14.947 36.317 9.244 1.00 15.27 N ATOM 577 CA TYR A 685 -15.089 37.326 8.191 1.00 13.69 C ATOM 578 C TYR A 685 -13.966 37.250 7.163 1.00 16.60 C ATOM 579 O TYR A 685 -13.549 38.264 6.602 1.00 18.24 O ATOM 580 CB TYR A 685 -15.246 38.753 8.735 1.00 17.11 C ATOM 581 CG TYR A 685 -16.476 38.985 9.585 1.00 20.23 C ATOM 582 CD1 TYR A 685 -17.393 37.971 9.830 1.00 24.09 C ATOM 583 CD2 TYR A 685 -16.719 40.232 10.149 1.00 33.72 C ATOM 584 CE1 TYR A 685 -18.512 38.189 10.614 1.00 28.89 C ATOM 585 CE2 TYR A 685 -17.838 40.459 10.931 1.00 42.62 C ATOM 586 CZ TYR A 685 -18.730 39.435 11.159 1.00 39.97 C ATOM 587 OH TYR A 685 -19.843 39.657 11.935 1.00 44.49 O ATOM 588 HH TYR A 685 -20.373 38.823 11.996 1.00 0.00 H ATOM 589 H TYR A 685 -15.660 35.563 9.308 1.00 0.00 H ATOM 590 N ARG A 686 -13.479 36.046 6.890 1.00 13.88 N ATOM 591 CA ARG A 686 -12.449 35.857 5.885 1.00 15.85 C ATOM 592 C ARG A 686 -13.006 35.622 4.486 1.00 13.99 C ATOM 593 O ARG A 686 -12.234 35.658 3.522 1.00 17.26 O ATOM 594 CB ARG A 686 -11.499 34.725 6.295 1.00 16.27 C ATOM 595 CG ARG A 686 -10.806 34.970 7.633 1.00 18.83 C ATOM 596 CD ARG A 686 -9.730 33.929 7.914 1.00 22.42 C ATOM 597 NE ARG A 686 -9.061 34.197 9.184 1.00 23.88 N ATOM 598 CZ ARG A 686 -9.151 33.422 10.259 1.00 25.15 C ATOM 599 NH1 ARG A 686 -9.872 32.307 10.229 1.00 22.24 N ATOM 600 NH2 ARG A 686 -8.508 33.759 11.369 1.00 32.79 N ATOM 601 HE ARG A 686 -8.474 35.053 9.251 1.00 0.00 H ATOM 602 HH12 ARG A 686 -9.937 31.707 11.076 1.00 0.00 H ATOM 603 HH11 ARG A 686 -10.372 32.034 9.359 1.00 0.00 H ATOM 604 HH22 ARG A 686 -8.576 33.155 12.213 1.00 0.00 H ATOM 605 HH21 ARG A 686 -7.936 34.627 11.395 1.00 0.00 H ATOM 606 H ARG A 686 -13.843 35.220 7.407 1.00 0.00 H ATOM 607 N TYR A 687 -14.313 35.381 4.348 1.00 11.59 N ATOM 608 CA TYR A 687 -14.962 35.246 3.042 1.00 11.09 C ATOM 609 C TYR A 687 -15.853 36.468 2.861 1.00 12.16 C ATOM 610 O TYR A 687 -16.961 36.532 3.407 1.00 13.85 O ATOM 611 CB TYR A 687 -15.792 33.968 2.946 1.00 11.23 C ATOM 612 CG TYR A 687 -15.006 32.692 3.147 1.00 10.37 C ATOM 613 CD1 TYR A 687 -13.834 32.450 2.445 1.00 12.37 C ATOM 614 CD2 TYR A 687 -15.445 31.726 4.040 1.00 9.56 C ATOM 615 CE1 TYR A 687 -13.114 31.277 2.631 1.00 11.56 C ATOM 616 CE2 TYR A 687 -14.734 30.558 4.235 1.00 10.44 C ATOM 617 CZ TYR A 687 -13.569 30.341 3.534 1.00 10.06 C ATOM 618 OH TYR A 687 -12.852 29.179 3.744 1.00 11.24 O ATOM 619 HH TYR A 687 -12.048 29.180 3.166 1.00 0.00 H ATOM 620 H TYR A 687 -14.895 35.285 5.205 1.00 0.00 H ATOM 621 N LEU A 688 -15.365 37.436 2.093 1.00 11.62 N ATOM 622 CA LEU A 688 -16.120 38.639 1.785 1.00 11.58 C ATOM 623 C LEU A 688 -16.544 38.686 0.328 1.00 11.58 C ATOM 624 O LEU A 688 -17.184 39.659 -0.091 1.00 13.68 O ATOM 625 CB LEU A 688 -15.333 39.893 2.184 1.00 12.61 C ATOM 626 CG LEU A 688 -14.977 39.952 3.673 1.00 13.43 C ATOM 627 CD1 LEU A 688 -14.132 41.176 3.974 1.00 15.63 C ATOM 628 CD2 LEU A 688 -16.219 39.946 4.549 1.00 16.53 C ATOM 629 H LEU A 688 -14.409 37.329 1.698 1.00 0.00 H ATOM 630 N ASN A 689 -16.193 37.668 -0.455 1.00 11.60 N ATOM 631 CA ASN A 689 -16.726 37.500 -1.794 1.00 11.96 C ATOM 632 C ASN A 689 -16.961 36.014 -2.032 1.00 10.86 C ATOM 633 O ASN A 689 -16.397 35.149 -1.354 1.00 10.84 O ATOM 634 CB ASN A 689 -15.859 38.142 -2.900 1.00 12.03 C ATOM 635 CG ASN A 689 -14.411 37.716 -2.834 1.00 10.44 C ATOM 636 OD1 ASN A 689 -14.106 36.525 -2.975 1.00 12.35 O ATOM 637 ND2 ASN A 689 -13.509 38.674 -2.673 1.00 12.84 N ATOM 638 HD22 ASN A 689 -13.814 39.662 -2.558 1.00 0.00 H ATOM 639 HD21 ASN A 689 -12.496 38.438 -2.661 1.00 0.00 H ATOM 640 H ASN A 689 -15.513 36.969 -0.094 1.00 0.00 H ATOM 641 N PHE A 690 -17.828 35.727 -2.994 1.00 11.24 N ATOM 642 CA PHE A 690 -18.203 34.346 -3.239 1.00 10.44 C ATOM 643 C PHE A 690 -17.021 33.546 -3.760 1.00 9.89 C ATOM 644 O PHE A 690 -16.856 32.373 -3.411 1.00 10.04 O ATOM 645 CB PHE A 690 -19.362 34.302 -4.227 1.00 13.83 C ATOM 646 CG PHE A 690 -20.053 32.983 -4.267 1.00 13.42 C ATOM 647 CD1 PHE A 690 -21.094 32.709 -3.400 1.00 15.63 C ATOM 648 CD2 PHE A 690 -19.646 31.996 -5.150 1.00 15.42 C ATOM 649 CE1 PHE A 690 -21.731 31.482 -3.425 1.00 19.00 C ATOM 650 CE2 PHE A 690 -20.280 30.769 -5.181 1.00 19.33 C ATOM 651 CZ PHE A 690 -21.322 30.512 -4.316 1.00 18.72 C ATOM 652 H PHE A 690 -18.238 36.489 -3.571 1.00 0.00 H ATOM 653 N ASP A 691 -16.183 34.168 -4.586 1.00 10.16 N ATOM 654 CA ASP A 691 -15.081 33.444 -5.205 1.00 10.88 C ATOM 655 C ASP A 691 -14.094 32.922 -4.171 1.00 9.67 C ATOM 656 O ASP A 691 -13.541 31.833 -4.346 1.00 10.53 O ATOM 657 CB ASP A 691 -14.380 34.328 -6.234 1.00 14.00 C ATOM 658 CG ASP A 691 -15.161 34.452 -7.532 1.00 22.43 C ATOM 659 OD1 ASP A 691 -16.119 33.679 -7.734 1.00 31.64 O ATOM 660 OD2 ASP A 691 -14.814 35.328 -8.349 1.00 33.12 O ATOM 661 H ASP A 691 -16.316 35.179 -4.791 1.00 0.00 H ATOM 662 N ASP A 692 -13.844 33.670 -3.094 1.00 9.30 N ATOM 663 CA ASP A 692 -12.904 33.171 -2.092 1.00 10.90 C ATOM 664 C ASP A 692 -13.470 31.953 -1.358 1.00 9.71 C ATOM 665 O ASP A 692 -12.729 31.017 -1.023 1.00 11.00 O ATOM 666 CB ASP A 692 -12.551 34.263 -1.095 1.00 11.35 C ATOM 667 CG ASP A 692 -11.521 35.240 -1.630 1.00 13.44 C ATOM 668 OD1 ASP A 692 -10.955 35.033 -2.731 1.00 12.46 O ATOM 669 OD2 ASP A 692 -11.268 36.224 -0.922 1.00 12.73 O ATOM 670 H ASP A 692 -14.310 34.592 -2.970 1.00 0.00 H ATOM 671 N PHE A 693 -14.780 31.956 -1.091 1.00 8.87 N ATOM 672 CA PHE A 693 -15.454 30.804 -0.492 1.00 8.67 C ATOM 673 C PHE A 693 -15.368 29.594 -1.417 1.00 8.41 C ATOM 674 O PHE A 693 -14.971 28.497 -1.001 1.00 9.95 O ATOM 675 CB PHE A 693 -16.902 31.201 -0.215 1.00 9.30 C ATOM 676 CG PHE A 693 -17.770 30.100 0.332 1.00 9.55 C ATOM 677 CD1 PHE A 693 -17.833 29.859 1.695 1.00 9.48 C ATOM 678 CD2 PHE A 693 -18.591 29.359 -0.507 1.00 11.05 C ATOM 679 CE1 PHE A 693 -18.679 28.884 2.209 1.00 10.27 C ATOM 680 CE2 PHE A 693 -19.431 28.377 0.009 1.00 12.15 C ATOM 681 CZ PHE A 693 -19.471 28.147 1.366 1.00 10.49 C ATOM 682 H PHE A 693 -15.338 32.804 -1.316 1.00 0.00 H ATOM 683 N GLU A 694 -15.712 29.787 -2.692 1.00 9.32 N ATOM 684 CA GLU A 694 -15.649 28.700 -3.662 1.00 10.06 C ATOM 685 C GLU A 694 -14.231 28.171 -3.818 1.00 9.30 C ATOM 686 O GLU A 694 -14.029 26.961 -3.982 1.00 9.95 O ATOM 687 CB GLU A 694 -16.226 29.161 -5.002 1.00 11.96 C ATOM 688 CG GLU A 694 -16.171 28.100 -6.094 1.00 15.09 C ATOM 689 CD GLU A 694 -17.177 28.328 -7.207 1.00 35.55 C ATOM 690 OE1 GLU A 694 -17.194 27.522 -8.162 1.00 39.66 O ATOM 691 OE2 GLU A 694 -17.951 29.306 -7.128 1.00 37.92 O ATOM 692 H GLU A 694 -16.030 30.728 -2.999 1.00 0.00 H ATOM 693 N GLU A 695 -13.238 29.056 -3.788 1.00 9.56 N ATOM 694 CA GLU A 695 -11.851 28.627 -3.930 1.00 10.17 C ATOM 695 C GLU A 695 -11.444 27.659 -2.823 1.00 9.63 C ATOM 696 O GLU A 695 -10.740 26.668 -3.080 1.00 9.77 O ATOM 697 CB GLU A 695 -10.942 29.852 -3.926 1.00 12.14 C ATOM 698 CG GLU A 695 -9.453 29.546 -4.003 1.00 15.49 C ATOM 699 CD GLU A 695 -8.603 30.804 -4.074 1.00 33.72 C ATOM 700 OE1 GLU A 695 -8.834 31.729 -3.268 1.00 37.01 O ATOM 701 OE2 GLU A 695 -7.705 30.869 -4.941 1.00 39.99 O ATOM 702 H GLU A 695 -13.453 30.066 -3.662 1.00 0.00 H ATOM 703 N ASP A 696 -11.869 27.919 -1.587 1.00 9.40 N ATOM 704 CA ASP A 696 -11.540 27.008 -0.494 1.00 10.00 C ATOM 705 C ASP A 696 -12.272 25.678 -0.628 1.00 8.67 C ATOM 706 O ASP A 696 -11.688 24.618 -0.367 1.00 9.24 O ATOM 707 CB ASP A 696 -11.789 27.665 0.861 1.00 10.80 C ATOM 708 CG ASP A 696 -10.577 28.447 1.360 1.00 14.30 C ATOM 709 OD1 ASP A 696 -9.509 28.384 0.711 1.00 15.98 O ATOM 710 OD2 ASP A 696 -10.688 29.120 2.404 1.00 12.75 O ATOM 711 H ASP A 696 -12.435 28.771 -1.401 1.00 0.00 H ATOM 712 N PHE A 697 -13.541 25.703 -1.041 1.00 8.32 N ATOM 713 CA PHE A 697 -14.217 24.441 -1.327 1.00 8.78 C ATOM 714 C PHE A 697 -13.454 23.654 -2.386 1.00 8.73 C ATOM 715 O PHE A 697 -13.238 22.442 -2.251 1.00 9.25 O ATOM 716 CB PHE A 697 -15.652 24.681 -1.790 1.00 9.42 C ATOM 717 CG PHE A 697 -16.298 23.443 -2.342 1.00 9.34 C ATOM 718 CD1 PHE A 697 -16.722 22.427 -1.493 1.00 11.08 C ATOM 719 CD2 PHE A 697 -16.428 23.251 -3.707 1.00 10.35 C ATOM 720 CE1 PHE A 697 -17.291 21.263 -1.997 1.00 12.44 C ATOM 721 CE2 PHE A 697 -17.002 22.082 -4.212 1.00 11.77 C ATOM 722 CZ PHE A 697 -17.428 21.100 -3.347 1.00 12.40 C ATOM 723 H PHE A 697 -14.041 26.608 -1.157 1.00 0.00 H ATOM 724 N ASN A 698 -13.032 24.336 -3.453 1.00 8.90 N ATOM 725 CA ASN A 698 -12.308 23.659 -4.519 1.00 9.13 C ATOM 726 C ASN A 698 -11.005 23.049 -4.020 1.00 9.63 C ATOM 727 O ASN A 698 -10.567 22.021 -4.554 1.00 10.14 O ATOM 728 CB ASN A 698 -12.008 24.626 -5.666 1.00 12.02 C ATOM 729 CG ASN A 698 -13.228 24.968 -6.488 1.00 13.41 C ATOM 730 OD1 ASN A 698 -14.241 24.294 -6.423 1.00 15.09 O ATOM 731 ND2 ASN A 698 -13.127 26.040 -7.273 1.00 15.20 N ATOM 732 HD22 ASN A 698 -12.242 26.586 -7.296 1.00 0.00 H ATOM 733 HD21 ASN A 698 -13.933 26.331 -7.862 1.00 0.00 H ATOM 734 H ASN A 698 -13.221 25.356 -3.523 1.00 0.00 H ATOM 735 N LEU A 699 -10.370 23.649 -3.006 1.00 9.08 N ATOM 736 CA LEU A 699 -9.166 23.064 -2.415 1.00 9.91 C ATOM 737 C LEU A 699 -9.464 21.753 -1.699 1.00 8.76 C ATOM 738 O LEU A 699 -8.646 20.824 -1.732 1.00 9.88 O ATOM 739 CB LEU A 699 -8.544 24.024 -1.410 1.00 11.47 C ATOM 740 CG LEU A 699 -7.678 25.148 -1.951 1.00 13.36 C ATOM 741 CD1 LEU A 699 -7.158 25.953 -0.777 1.00 15.94 C ATOM 742 CD2 LEU A 699 -6.527 24.595 -2.783 1.00 14.90 C ATOM 743 H LEU A 699 -10.739 24.547 -2.632 1.00 0.00 H ATOM 744 N ILE A 700 -10.601 21.665 -0.999 1.00 8.38 N ATOM 745 CA ILE A 700 -10.951 20.396 -0.365 1.00 8.83 C ATOM 746 C ILE A 700 -10.912 19.289 -1.403 1.00 9.05 C ATOM 747 O ILE A 700 -10.318 18.225 -1.193 1.00 9.59 O ATOM 748 CB ILE A 700 -12.339 20.479 0.294 1.00 8.23 C ATOM 749 CG1 ILE A 700 -12.344 21.523 1.419 1.00 9.66 C ATOM 750 CG2 ILE A 700 -12.766 19.105 0.811 1.00 9.42 C ATOM 751 CD1 ILE A 700 -13.703 21.726 2.071 1.00 9.88 C ATOM 752 H ILE A 700 -11.228 22.490 -0.907 1.00 0.00 H ATOM 753 N VAL A 701 -11.557 19.535 -2.548 1.00 8.07 N ATOM 754 CA VAL A 701 -11.623 18.564 -3.637 1.00 7.96 C ATOM 755 C VAL A 701 -10.245 18.326 -4.244 1.00 8.33 C ATOM 756 O VAL A 701 -9.784 17.181 -4.361 1.00 8.71 O ATOM 757 CB VAL A 701 -12.622 19.055 -4.703 1.00 9.74 C ATOM 758 CG1 VAL A 701 -12.523 18.215 -5.975 1.00 11.33 C ATOM 759 CG2 VAL A 701 -14.051 19.089 -4.145 1.00 11.40 C ATOM 760 H VAL A 701 -12.030 20.453 -2.668 1.00 0.00 H ATOM 761 N SER A 702 -9.579 19.401 -4.665 1.00 7.76 N ATOM 762 CA SER A 702 -8.359 19.217 -5.442 1.00 8.97 C ATOM 763 C SER A 702 -7.226 18.638 -4.606 1.00 8.57 C ATOM 764 O SER A 702 -6.422 17.852 -5.123 1.00 8.79 O ATOM 765 CB SER A 702 -7.946 20.515 -6.131 1.00 10.40 C ATOM 766 OG SER A 702 -7.605 21.501 -5.185 1.00 8.11 O ATOM 767 HG SER A 702 -6.849 21.179 -4.633 1.00 0.00 H ATOM 768 H SER A 702 -9.924 20.356 -4.443 1.00 0.00 H ATOM 769 N ASN A 703 -7.139 18.993 -3.322 1.00 8.17 N ATOM 770 CA ASN A 703 -6.117 18.396 -2.471 1.00 8.46 C ATOM 771 C ASN A 703 -6.308 16.894 -2.391 1.00 8.25 C ATOM 772 O ASN A 703 -5.339 16.127 -2.385 1.00 8.90 O ATOM 773 CB ASN A 703 -6.201 18.970 -1.058 1.00 9.63 C ATOM 774 CG ASN A 703 -5.743 20.412 -0.960 1.00 9.69 C ATOM 775 OD1 ASN A 703 -5.088 20.941 -1.857 1.00 10.87 O ATOM 776 ND2 ASN A 703 -6.069 21.047 0.161 1.00 10.39 N ATOM 777 HD22 ASN A 703 -6.625 20.559 0.892 1.00 0.00 H ATOM 778 HD21 ASN A 703 -5.769 22.032 0.307 1.00 0.00 H ATOM 779 H ASN A 703 -7.799 19.694 -2.930 1.00 0.00 H ATOM 780 N CYS A 704 -7.561 16.459 -2.289 1.00 8.04 N ATOM 781 CA CYS A 704 -7.855 15.042 -2.143 1.00 7.81 C ATOM 782 C CYS A 704 -7.535 14.290 -3.427 1.00 8.19 C ATOM 783 O CYS A 704 -6.943 13.205 -3.390 1.00 9.08 O ATOM 784 CB CYS A 704 -9.322 14.870 -1.744 1.00 7.65 C ATOM 785 SG CYS A 704 -9.852 13.170 -1.527 1.00 9.33 S ATOM 786 H CYS A 704 -8.344 17.144 -2.314 1.00 0.00 H ATOM 787 N LEU A 705 -7.899 14.858 -4.580 1.00 7.67 N ATOM 788 CA LEU A 705 -7.537 14.255 -5.859 1.00 8.59 C ATOM 789 C LEU A 705 -6.028 14.160 -6.003 1.00 8.34 C ATOM 790 O LEU A 705 -5.505 13.167 -6.525 1.00 9.53 O ATOM 791 CB LEU A 705 -8.113 15.074 -7.014 1.00 9.32 C ATOM 792 CG LEU A 705 -9.631 15.225 -7.073 1.00 8.47 C ATOM 793 CD1 LEU A 705 -10.020 16.184 -8.204 1.00 11.85 C ATOM 794 CD2 LEU A 705 -10.318 13.884 -7.245 1.00 10.56 C ATOM 795 H LEU A 705 -8.448 15.741 -4.566 1.00 0.00 H ATOM 796 N LYS A 706 -5.312 15.184 -5.538 1.00 9.11 N ATOM 797 CA LYS A 706 -3.863 15.198 -5.687 1.00 10.71 C ATOM 798 C LYS A 706 -3.208 14.131 -4.828 1.00 9.86 C ATOM 799 O LYS A 706 -2.308 13.418 -5.283 1.00 11.39 O ATOM 800 CB LYS A 706 -3.314 16.574 -5.319 1.00 12.53 C ATOM 801 CG LYS A 706 -1.811 16.697 -5.506 1.00 18.28 C ATOM 802 CD LYS A 706 -1.360 18.151 -5.530 1.00 20.54 C ATOM 803 H LYS A 706 -5.791 15.978 -5.066 1.00 0.00 H ATOM 804 N TYR A 707 -3.625 14.017 -3.572 1.00 9.04 N ATOM 805 CA TYR A 707 -2.904 13.148 -2.653 1.00 9.60 C ATOM 806 C TYR A 707 -3.245 11.671 -2.843 1.00 10.04 C ATOM 807 O TYR A 707 -2.374 10.811 -2.671 1.00 11.44 O ATOM 808 CB TYR A 707 -3.143 13.576 -1.199 1.00 10.87 C ATOM 809 CG TYR A 707 -2.261 12.805 -0.252 1.00 11.09 C ATOM 810 CD1 TYR A 707 -0.925 13.144 -0.091 1.00 11.94 C ATOM 811 CD2 TYR A 707 -2.746 11.703 0.436 1.00 13.06 C ATOM 812 CE1 TYR A 707 -0.098 12.417 0.747 1.00 13.76 C ATOM 813 CE2 TYR A 707 -1.930 10.969 1.276 1.00 16.07 C ATOM 814 CZ TYR A 707 -0.610 11.333 1.426 1.00 13.51 C ATOM 815 OH TYR A 707 0.204 10.595 2.257 1.00 17.09 O ATOM 816 HH TYR A 707 1.115 10.983 2.255 1.00 0.00 H ATOM 817 H TYR A 707 -4.460 14.545 -3.247 1.00 0.00 H ATOM 818 N ASN A 708 -4.494 11.350 -3.174 1.00 8.86 N ATOM 819 CA ASN A 708 -4.988 9.979 -3.113 1.00 10.14 C ATOM 820 C ASN A 708 -5.020 9.329 -4.488 1.00 8.26 C ATOM 821 O ASN A 708 -5.287 9.987 -5.497 1.00 9.63 O ATOM 822 CB ASN A 708 -6.377 9.960 -2.483 1.00 9.71 C ATOM 823 CG ASN A 708 -6.346 10.461 -1.063 1.00 9.59 C ATOM 824 OD1 ASN A 708 -5.952 9.732 -0.146 1.00 11.29 O ATOM 825 ND2 ASN A 708 -6.709 11.722 -0.870 1.00 11.17 N ATOM 826 HD22 ASN A 708 -7.034 12.298 -1.672 1.00 0.00 H ATOM 827 HD21 ASN A 708 -6.668 12.135 0.084 1.00 0.00 H ATOM 828 H ASN A 708 -5.140 12.103 -3.487 1.00 0.00 H ATOM 829 N ALA A 709 -4.762 8.027 -4.521 1.00 9.21 N ATOM 830 CA ALA A 709 -4.762 7.309 -5.788 1.00 9.64 C ATOM 831 C ALA A 709 -6.172 7.203 -6.370 1.00 8.58 C ATOM 832 O ALA A 709 -7.170 7.170 -5.644 1.00 8.86 O ATOM 833 CB ALA A 709 -4.190 5.907 -5.595 1.00 10.76 C ATOM 834 H ALA A 709 -4.559 7.517 -3.638 1.00 0.00 H ATOM 835 N LYS A 710 -6.248 7.109 -7.702 1.00 9.72 N ATOM 836 CA LYS A 710 -7.542 7.106 -8.381 1.00 10.54 C ATOM 837 C LYS A 710 -8.394 5.914 -7.989 1.00 11.53 C ATOM 838 O LYS A 710 -9.626 5.981 -8.093 1.00 15.01 O ATOM 839 CB LYS A 710 -7.364 7.119 -9.903 1.00 12.15 C ATOM 840 CG LYS A 710 -6.842 8.420 -10.452 1.00 13.58 C ATOM 841 CD LYS A 710 -6.775 8.437 -11.977 1.00 12.75 C ATOM 842 CE LYS A 710 -8.126 8.763 -12.576 1.00 14.45 C ATOM 843 NZ LYS A 710 -8.105 8.614 -14.057 1.00 12.09 N ATOM 844 HZ1 LYS A 710 -7.397 9.261 -14.459 1.00 0.00 H ATOM 845 HZ2 LYS A 710 -7.859 7.634 -14.302 1.00 0.00 H ATOM 846 HZ3 LYS A 710 -9.044 8.844 -14.441 1.00 0.00 H ATOM 847 H LYS A 710 -5.375 7.037 -8.262 1.00 0.00 H ATOM 848 N ASP A 711 -7.779 4.819 -7.560 1.00 10.84 N ATOM 849 CA ASP A 711 -8.544 3.630 -7.214 1.00 12.47 C ATOM 850 C ASP A 711 -9.093 3.651 -5.791 1.00 11.98 C ATOM 851 O ASP A 711 -9.670 2.646 -5.365 1.00 15.43 O ATOM 852 CB ASP A 711 -7.728 2.353 -7.478 1.00 17.25 C ATOM 853 CG ASP A 711 -6.513 2.216 -6.572 1.00 18.21 C ATOM 854 OD1 ASP A 711 -6.269 3.084 -5.713 1.00 21.75 O ATOM 855 OD2 ASP A 711 -5.779 1.212 -6.726 1.00 26.53 O ATOM 856 H ASP A 711 -6.743 4.810 -7.470 1.00 0.00 H ATOM 857 N THR A 712 -8.932 4.741 -5.045 1.00 11.54 N ATOM 858 CA THR A 712 -9.415 4.815 -3.673 1.00 10.69 C ATOM 859 C THR A 712 -10.804 5.427 -3.600 1.00 11.31 C ATOM 860 O THR A 712 -11.201 6.246 -4.433 1.00 11.10 O ATOM 861 CB THR A 712 -8.484 5.647 -2.783 1.00 10.66 C ATOM 862 OG1 THR A 712 -8.472 7.019 -3.215 1.00 10.42 O ATOM 863 CG2 THR A 712 -7.076 5.087 -2.789 1.00 11.73 C ATOM 864 HG1 THR A 712 -8.152 7.066 -4.151 1.00 0.00 H ATOM 865 H THR A 712 -8.447 5.565 -5.454 1.00 0.00 H ATOM 866 N ILE A 713 -11.531 5.043 -2.558 1.00 9.48 N ATOM 867 CA ILE A 713 -12.803 5.690 -2.278 1.00 10.51 C ATOM 868 C ILE A 713 -12.615 7.178 -2.018 1.00 8.78 C ATOM 869 O ILE A 713 -13.444 7.987 -2.433 1.00 9.58 O ATOM 870 CB ILE A 713 -13.540 4.969 -1.137 1.00 10.64 C ATOM 871 CG1 ILE A 713 -14.004 3.600 -1.646 1.00 14.56 C ATOM 872 CG2 ILE A 713 -14.692 5.825 -0.605 1.00 12.63 C ATOM 873 CD1 ILE A 713 -15.191 3.028 -0.957 1.00 28.10 C ATOM 874 H ILE A 713 -11.190 4.278 -1.941 1.00 0.00 H ATOM 875 N PHE A 714 -11.543 7.568 -1.317 1.00 9.27 N ATOM 876 CA PHE A 714 -11.312 8.994 -1.064 1.00 8.83 C ATOM 877 C PHE A 714 -11.284 9.791 -2.367 1.00 8.53 C ATOM 878 O PHE A 714 -11.951 10.821 -2.492 1.00 8.76 O ATOM 879 CB PHE A 714 -9.993 9.220 -0.327 1.00 9.86 C ATOM 880 CG PHE A 714 -10.028 8.923 1.150 1.00 10.06 C ATOM 881 CD1 PHE A 714 -11.194 8.554 1.821 1.00 10.76 C ATOM 882 CD2 PHE A 714 -8.850 9.009 1.872 1.00 11.81 C ATOM 883 CE1 PHE A 714 -11.161 8.294 3.193 1.00 12.01 C ATOM 884 CE2 PHE A 714 -8.816 8.744 3.224 1.00 13.55 C ATOM 885 CZ PHE A 714 -9.975 8.391 3.887 1.00 12.78 C ATOM 886 H PHE A 714 -10.874 6.860 -0.952 1.00 0.00 H ATOM 887 N TYR A 715 -10.516 9.326 -3.349 1.00 8.58 N ATOM 888 CA TYR A 715 -10.440 10.030 -4.626 1.00 8.31 C ATOM 889 C TYR A 715 -11.820 10.129 -5.268 1.00 8.14 C ATOM 890 O TYR A 715 -12.241 11.202 -5.723 1.00 9.00 O ATOM 891 CB TYR A 715 -9.447 9.317 -5.554 1.00 8.75 C ATOM 892 CG TYR A 715 -9.197 10.028 -6.871 1.00 8.33 C ATOM 893 CD1 TYR A 715 -10.077 9.899 -7.936 1.00 9.06 C ATOM 894 CD2 TYR A 715 -8.058 10.803 -7.061 1.00 8.16 C ATOM 895 CE1 TYR A 715 -9.852 10.540 -9.144 1.00 9.08 C ATOM 896 CE2 TYR A 715 -7.824 11.453 -8.272 1.00 8.55 C ATOM 897 CZ TYR A 715 -8.729 11.321 -9.306 1.00 8.00 C ATOM 898 OH TYR A 715 -8.511 11.955 -10.512 1.00 9.66 O ATOM 899 HH TYR A 715 -9.256 11.750 -11.131 1.00 0.00 H ATOM 900 H TYR A 715 -9.966 8.455 -3.206 1.00 0.00 H ATOM 901 N ARG A 716 -12.547 9.013 -5.309 1.00 8.31 N ATOM 902 CA ARG A 716 -13.850 9.008 -5.956 1.00 8.81 C ATOM 903 C ARG A 716 -14.849 9.865 -5.196 1.00 8.17 C ATOM 904 O ARG A 716 -15.723 10.484 -5.810 1.00 8.40 O ATOM 905 CB ARG A 716 -14.332 7.570 -6.112 1.00 9.66 C ATOM 906 CG ARG A 716 -13.357 6.705 -6.892 1.00 16.12 C ATOM 907 CD ARG A 716 -13.203 7.192 -8.322 1.00 17.18 C ATOM 908 NE ARG A 716 -12.244 6.376 -9.062 1.00 17.36 N ATOM 909 CZ ARG A 716 -12.469 5.846 -10.261 1.00 21.31 C ATOM 910 NH1 ARG A 716 -11.529 5.113 -10.845 1.00 21.23 N ATOM 911 NH2 ARG A 716 -13.625 6.050 -10.881 1.00 21.96 N ATOM 912 HE ARG A 716 -11.320 6.197 -8.620 1.00 0.00 H ATOM 913 HH12 ARG A 716 -11.701 4.697 -11.782 1.00 0.00 H ATOM 914 HH11 ARG A 716 -10.620 4.955 -10.365 1.00 0.00 H ATOM 915 HH22 ARG A 716 -13.793 5.632 -11.818 1.00 0.00 H ATOM 916 HH21 ARG A 716 -14.362 6.628 -10.429 1.00 0.00 H ATOM 917 H ARG A 716 -12.181 8.141 -4.876 1.00 0.00 H ATOM 918 N ALA A 717 -14.725 9.924 -3.873 1.00 8.15 N ATOM 919 CA ALA A 717 -15.582 10.810 -3.092 1.00 8.54 C ATOM 920 C ALA A 717 -15.308 12.273 -3.411 1.00 7.91 C ATOM 921 O ALA A 717 -16.232 13.094 -3.417 1.00 8.21 O ATOM 922 CB ALA A 717 -15.395 10.547 -1.602 1.00 9.95 C ATOM 923 H ALA A 717 -14.014 9.336 -3.393 1.00 0.00 H ATOM 924 N ALA A 718 -14.050 12.630 -3.671 1.00 7.80 N ATOM 925 CA ALA A 718 -13.751 14.000 -4.081 1.00 7.90 C ATOM 926 C ALA A 718 -14.360 14.318 -5.439 1.00 8.10 C ATOM 927 O ALA A 718 -14.874 15.426 -5.646 1.00 8.51 O ATOM 928 CB ALA A 718 -12.245 14.239 -4.069 1.00 9.47 C ATOM 929 H ALA A 718 -13.282 11.934 -3.582 1.00 0.00 H ATOM 930 N VAL A 719 -14.309 13.371 -6.378 1.00 7.75 N ATOM 931 CA VAL A 719 -14.963 13.571 -7.669 1.00 8.41 C ATOM 932 C VAL A 719 -16.456 13.815 -7.475 1.00 8.94 C ATOM 933 O VAL A 719 -17.038 14.729 -8.073 1.00 9.95 O ATOM 934 CB VAL A 719 -14.689 12.381 -8.610 1.00 9.41 C ATOM 935 CG1 VAL A 719 -15.530 12.494 -9.876 1.00 12.28 C ATOM 936 CG2 VAL A 719 -13.203 12.280 -8.935 1.00 10.37 C ATOM 937 H VAL A 719 -13.800 12.484 -6.189 1.00 0.00 H ATOM 938 N ARG A 720 -17.096 12.991 -6.648 1.00 8.44 N ATOM 939 CA ARG A 720 -18.532 13.137 -6.443 1.00 9.14 C ATOM 940 C ARG A 720 -18.856 14.450 -5.746 1.00 9.10 C ATOM 941 O ARG A 720 -19.860 15.101 -6.070 1.00 10.23 O ATOM 942 CB ARG A 720 -19.065 11.950 -5.645 1.00 11.35 C ATOM 943 CG ARG A 720 -20.571 11.975 -5.485 1.00 15.02 C ATOM 944 CD ARG A 720 -21.136 10.580 -5.347 1.00 19.21 C ATOM 945 NE ARG A 720 -22.439 10.574 -4.686 1.00 24.58 N ATOM 946 CZ ARG A 720 -23.573 10.969 -5.256 1.00 27.90 C ATOM 947 NH1 ARG A 720 -23.578 11.402 -6.510 1.00 24.66 N ATOM 948 NH2 ARG A 720 -24.708 10.925 -4.570 1.00 29.83 N ATOM 949 HE ARG A 720 -22.482 10.238 -3.703 1.00 0.00 H ATOM 950 HH12 ARG A 720 -24.469 11.710 -6.950 1.00 0.00 H ATOM 951 HH11 ARG A 720 -22.691 11.434 -7.053 1.00 0.00 H ATOM 952 HH22 ARG A 720 -25.596 11.234 -5.014 1.00 0.00 H ATOM 953 HH21 ARG A 720 -24.709 10.582 -3.588 1.00 0.00 H ATOM 954 H ARG A 720 -16.572 12.244 -6.149 1.00 0.00 H ATOM 955 N LEU A 721 -18.022 14.855 -4.788 1.00 8.48 N ATOM 956 CA LEU A 721 -18.228 16.134 -4.119 1.00 8.78 C ATOM 957 C LEU A 721 -18.059 17.299 -5.090 1.00 8.07 C ATOM 958 O LEU A 721 -18.808 18.282 -5.030 1.00 9.29 O ATOM 959 CB LEU A 721 -17.254 16.257 -2.952 1.00 9.53 C ATOM 960 CG LEU A 721 -17.418 17.503 -2.086 1.00 8.68 C ATOM 961 CD1 LEU A 721 -18.828 17.619 -1.510 1.00 14.35 C ATOM 962 CD2 LEU A 721 -16.348 17.564 -1.007 1.00 12.70 C ATOM 963 H LEU A 721 -17.218 14.254 -4.516 1.00 0.00 H ATOM 964 N ARG A 722 -17.082 17.213 -5.991 1.00 8.50 N ATOM 965 CA ARG A 722 -16.921 18.236 -7.017 1.00 9.37 C ATOM 966 C ARG A 722 -18.200 18.385 -7.823 1.00 9.26 C ATOM 967 O ARG A 722 -18.658 19.503 -8.094 1.00 11.55 O ATOM 968 CB ARG A 722 -15.754 17.868 -7.937 1.00 9.53 C ATOM 969 CG ARG A 722 -15.423 18.940 -8.976 1.00 11.37 C ATOM 970 CD ARG A 722 -14.275 18.507 -9.895 1.00 12.69 C ATOM 971 NE ARG A 722 -14.677 17.373 -10.721 1.00 13.44 N ATOM 972 CZ ARG A 722 -13.854 16.434 -11.183 1.00 12.69 C ATOM 973 NH1 ARG A 722 -12.555 16.484 -10.933 1.00 14.56 N ATOM 974 NH2 ARG A 722 -14.338 15.433 -11.900 1.00 14.89 N ATOM 975 HE ARG A 722 -15.684 17.292 -10.968 1.00 0.00 H ATOM 976 HH12 ARG A 722 -11.926 15.742 -11.301 1.00 0.00 H ATOM 977 HH11 ARG A 722 -12.164 17.265 -10.368 1.00 0.00 H ATOM 978 HH22 ARG A 722 -13.699 14.697 -12.263 1.00 0.00 H ATOM 979 HH21 ARG A 722 -15.357 15.382 -12.100 1.00 0.00 H ATOM 980 H ARG A 722 -16.426 16.406 -5.962 1.00 0.00 H ATOM 981 N GLU A 723 -18.780 17.264 -8.229 1.00 9.74 N ATOM 982 CA GLU A 723 -19.977 17.307 -9.057 1.00 12.79 C ATOM 983 C GLU A 723 -21.166 17.848 -8.275 1.00 12.81 C ATOM 984 O GLU A 723 -21.829 18.803 -8.705 1.00 15.10 O ATOM 985 CB GLU A 723 -20.278 15.900 -9.575 1.00 16.21 C ATOM 986 CG GLU A 723 -19.251 15.358 -10.559 1.00 20.99 C ATOM 987 CD GLU A 723 -19.453 13.881 -10.867 1.00 26.61 C ATOM 988 OE1 GLU A 723 -20.322 13.244 -10.230 1.00 31.76 O ATOM 989 OE2 GLU A 723 -18.740 13.356 -11.748 1.00 24.45 O ATOM 990 H GLU A 723 -18.376 16.346 -7.954 1.00 0.00 H ATOM 991 N GLN A 724 -21.455 17.251 -7.121 1.00 10.61 N ATOM 992 CA GLN A 724 -22.625 17.671 -6.357 1.00 11.53 C ATOM 993 C GLN A 724 -22.439 19.076 -5.800 1.00 12.02 C ATOM 994 O GLN A 724 -23.387 19.874 -5.763 1.00 13.76 O ATOM 995 CB GLN A 724 -22.893 16.669 -5.234 1.00 11.82 C ATOM 996 CG GLN A 724 -23.242 15.279 -5.718 1.00 13.84 C ATOM 997 CD GLN A 724 -23.819 14.427 -4.612 1.00 18.34 C ATOM 998 OE1 GLN A 724 -23.099 13.954 -3.744 1.00 17.35 O ATOM 999 NE2 GLN A 724 -25.133 14.238 -4.633 1.00 22.27 N ATOM 1000 HE22 GLN A 724 -25.707 14.660 -5.391 1.00 0.00 H ATOM 1001 HE21 GLN A 724 -25.588 13.668 -3.891 1.00 0.00 H ATOM 1002 H GLN A 724 -20.848 16.486 -6.764 1.00 0.00 H ATOM 1003 N GLY A 725 -21.226 19.402 -5.364 1.00 12.72 N ATOM 1004 CA GLY A 725 -20.983 20.707 -4.776 1.00 13.34 C ATOM 1005 C GLY A 725 -20.970 21.829 -5.789 1.00 16.32 C ATOM 1006 O GLY A 725 -21.400 22.950 -5.488 1.00 14.36 O ATOM 1007 H GLY A 725 -20.447 18.718 -5.445 1.00 0.00 H ATOM 1008 N GLY A 726 -20.493 21.555 -7.001 1.00 15.62 N ATOM 1009 CA GLY A 726 -20.578 22.556 -8.051 1.00 15.32 C ATOM 1010 C GLY A 726 -22.007 22.994 -8.320 1.00 14.35 C ATOM 1011 O GLY A 726 -22.273 24.171 -8.588 1.00 15.01 O ATOM 1012 H GLY A 726 -20.062 20.629 -7.196 1.00 0.00 H ATOM 1013 N ALA A 727 -22.954 22.062 -8.230 1.00 16.07 N ATOM 1014 CA ALA A 727 -24.348 22.422 -8.456 1.00 12.60 C ATOM 1015 C ALA A 727 -24.891 23.298 -7.321 1.00 13.42 C ATOM 1016 O ALA A 727 -25.630 24.262 -7.559 1.00 14.13 O ATOM 1017 CB ALA A 727 -25.187 21.156 -8.621 1.00 17.92 C ATOM 1018 H ALA A 727 -22.700 21.080 -7.999 1.00 0.00 H ATOM 1019 N VAL A 728 -24.555 22.954 -6.082 1.00 11.08 N ATOM 1020 CA VAL A 728 -24.907 23.783 -4.930 1.00 11.13 C ATOM 1021 C VAL A 728 -24.344 25.192 -5.088 1.00 8.99 C ATOM 1022 O VAL A 728 -25.025 26.188 -4.817 1.00 9.94 O ATOM 1023 CB VAL A 728 -24.386 23.104 -3.651 1.00 10.59 C ATOM 1024 CG1 VAL A 728 -24.438 24.055 -2.474 1.00 11.31 C ATOM 1025 CG2 VAL A 728 -25.166 21.825 -3.360 1.00 13.94 C ATOM 1026 H VAL A 728 -24.027 22.071 -5.928 1.00 0.00 H ATOM 1027 N LEU A 729 -23.095 25.292 -5.538 1.00 9.04 N ATOM 1028 CA LEU A 729 -22.429 26.584 -5.650 1.00 8.84 C ATOM 1029 C LEU A 729 -23.031 27.446 -6.750 1.00 9.80 C ATOM 1030 O LEU A 729 -23.146 28.663 -6.583 1.00 10.25 O ATOM 1031 CB LEU A 729 -20.935 26.377 -5.869 1.00 12.25 C ATOM 1032 CG LEU A 729 -20.193 25.919 -4.610 1.00 13.60 C ATOM 1033 CD1 LEU A 729 -18.803 25.404 -4.945 1.00 21.26 C ATOM 1034 CD2 LEU A 729 -20.121 27.025 -3.572 1.00 16.26 C ATOM 1035 H LEU A 729 -22.584 24.430 -5.816 1.00 0.00 H ATOM 1036 N ARG A 730 -23.420 26.848 -7.880 1.00 10.71 N ATOM 1037 CA ARG A 730 -24.020 27.655 -8.938 1.00 10.99 C ATOM 1038 C ARG A 730 -25.321 28.293 -8.473 1.00 10.83 C ATOM 1039 O ARG A 730 -25.573 29.473 -8.741 1.00 11.84 O ATOM 1040 CB ARG A 730 -24.251 26.828 -10.202 1.00 12.20 C ATOM 1041 CG ARG A 730 -24.846 27.668 -11.330 1.00 14.20 C ATOM 1042 CD ARG A 730 -24.848 26.952 -12.675 1.00 16.39 C ATOM 1043 NE ARG A 730 -25.369 27.826 -13.725 1.00 16.46 N ATOM 1044 CZ ARG A 730 -25.181 27.637 -15.028 1.00 14.00 C ATOM 1045 NH1 ARG A 730 -24.470 26.599 -15.447 1.00 15.89 N ATOM 1046 NH2 ARG A 730 -25.691 28.501 -15.899 1.00 16.16 N ATOM 1047 HE ARG A 730 -25.926 28.654 -13.432 1.00 0.00 H ATOM 1048 HH12 ARG A 730 -24.321 26.448 -16.465 1.00 0.00 H ATOM 1049 HH11 ARG A 730 -24.062 25.936 -14.758 1.00 0.00 H ATOM 1050 HH22 ARG A 730 -25.547 28.358 -16.919 1.00 0.00 H ATOM 1051 HH21 ARG A 730 -26.234 29.321 -15.561 1.00 0.00 H ATOM 1052 H ARG A 730 -23.297 25.823 -8.004 1.00 0.00 H ATOM 1053 N GLN A 731 -26.158 27.526 -7.769 1.00 11.99 N ATOM 1054 CA GLN A 731 -27.408 28.072 -7.253 1.00 13.49 C ATOM 1055 C GLN A 731 -27.148 29.145 -6.202 1.00 11.26 C ATOM 1056 O GLN A 731 -27.836 30.172 -6.166 1.00 13.10 O ATOM 1057 CB GLN A 731 -28.259 26.946 -6.667 1.00 14.45 C ATOM 1058 H GLN A 731 -25.916 26.531 -7.587 1.00 0.00 H ATOM 1059 N ALA A 732 -26.167 28.920 -5.330 1.00 10.80 N ATOM 1060 CA ALA A 732 -25.856 29.917 -4.312 1.00 10.81 C ATOM 1061 C ALA A 732 -25.342 31.206 -4.940 1.00 11.05 C ATOM 1062 O ALA A 732 -25.669 32.303 -4.470 1.00 12.67 O ATOM 1063 CB ALA A 732 -24.861 29.352 -3.300 1.00 11.87 C ATOM 1064 H ALA A 732 -25.623 28.035 -5.375 1.00 0.00 H ATOM 1065 N ARG A 733 -24.541 31.098 -6.002 1.00 11.97 N ATOM 1066 CA ARG A 733 -24.060 32.297 -6.675 1.00 14.33 C ATOM 1067 C ARG A 733 -25.218 33.086 -7.272 1.00 13.51 C ATOM 1068 O ARG A 733 -25.237 34.322 -7.199 1.00 15.61 O ATOM 1069 CB ARG A 733 -23.025 31.934 -7.742 1.00 14.82 C ATOM 1070 CG ARG A 733 -22.320 33.160 -8.328 1.00 17.78 C ATOM 1071 CD ARG A 733 -21.451 32.811 -9.521 1.00 19.83 C ATOM 1072 NE ARG A 733 -20.246 32.079 -9.146 1.00 20.79 N ATOM 1073 CZ ARG A 733 -19.125 32.647 -8.712 1.00 18.19 C ATOM 1074 NH1 ARG A 733 -19.047 33.964 -8.590 1.00 20.25 N ATOM 1075 NH2 ARG A 733 -18.077 31.896 -8.402 1.00 21.59 N ATOM 1076 HE ARG A 733 -20.265 31.042 -9.223 1.00 0.00 H ATOM 1077 HH12 ARG A 733 -18.168 34.404 -8.250 1.00 0.00 H ATOM 1078 HH11 ARG A 733 -19.865 34.558 -8.834 1.00 0.00 H ATOM 1079 HH22 ARG A 733 -17.200 32.341 -8.063 1.00 0.00 H ATOM 1080 HH21 ARG A 733 -18.132 30.862 -8.498 1.00 0.00 H ATOM 1081 H ARG A 733 -24.260 30.159 -6.349 1.00 0.00 H ATOM 1082 N ARG A 734 -26.211 32.390 -7.839 1.00 14.78 N ATOM 1083 CA ARG A 734 -27.404 33.066 -8.342 1.00 15.56 C ATOM 1084 C ARG A 734 -28.093 33.853 -7.236 1.00 17.70 C ATOM 1085 O ARG A 734 -28.624 34.944 -7.477 1.00 19.46 O ATOM 1086 CB ARG A 734 -28.385 32.049 -8.932 1.00 17.89 C ATOM 1087 CG ARG A 734 -27.913 31.330 -10.185 1.00 24.40 C ATOM 1088 CD ARG A 734 -27.873 32.252 -11.394 1.00 31.94 C ATOM 1089 NE ARG A 734 -26.602 32.965 -11.493 1.00 41.05 N ATOM 1090 CZ ARG A 734 -25.454 32.404 -11.860 1.00 53.93 C ATOM 1091 NH1 ARG A 734 -24.347 33.133 -11.918 1.00 54.55 N ATOM 1092 NH2 ARG A 734 -25.410 31.116 -12.171 1.00 56.82 N ATOM 1093 HE ARG A 734 -26.595 33.979 -11.261 1.00 0.00 H ATOM 1094 HH12 ARG A 734 -23.449 32.693 -12.205 1.00 0.00 H ATOM 1095 HH11 ARG A 734 -24.377 34.144 -11.676 1.00 0.00 H ATOM 1096 HH22 ARG A 734 -24.510 30.681 -12.458 1.00 0.00 H ATOM 1097 HH21 ARG A 734 -26.275 30.541 -12.128 1.00 0.00 H ATOM 1098 H ARG A 734 -26.132 31.356 -7.922 1.00 0.00 H ATOM 1099 N GLN A 735 -28.108 33.307 -6.018 1.00 15.40 N ATOM 1100 CA GLN A 735 -28.709 34.014 -4.893 1.00 16.98 C ATOM 1101 C GLN A 735 -27.869 35.215 -4.480 1.00 16.04 C ATOM 1102 O GLN A 735 -28.414 36.273 -4.143 1.00 18.34 O ATOM 1103 CB GLN A 735 -28.892 33.059 -3.714 1.00 16.79 C ATOM 1104 CG GLN A 735 -29.930 31.977 -3.939 1.00 20.87 C ATOM 1105 CD GLN A 735 -31.289 32.548 -4.281 1.00 43.43 C ATOM 1106 OE1 GLN A 735 -31.748 32.453 -5.419 1.00 52.82 O ATOM 1107 NE2 GLN A 735 -31.941 33.153 -3.295 1.00 47.50 N ATOM 1108 HE22 GLN A 735 -31.515 33.210 -2.348 1.00 0.00 H ATOM 1109 HE21 GLN A 735 -32.878 33.570 -3.470 1.00 0.00 H ATOM 1110 H GLN A 735 -27.687 32.368 -5.870 1.00 0.00 H ATOM 1111 N ALA A 736 -26.540 35.073 -4.486 1.00 15.52 N ATOM 1112 CA ALA A 736 -25.671 36.198 -4.153 1.00 16.39 C ATOM 1113 C ALA A 736 -25.827 37.341 -5.148 1.00 19.45 C ATOM 1114 O ALA A 736 -25.747 38.515 -4.763 1.00 20.30 O ATOM 1115 CB ALA A 736 -24.214 35.742 -4.091 1.00 17.60 C ATOM 1116 H ALA A 736 -26.121 34.153 -4.730 1.00 0.00 H ATOM 1117 N GLU A 737 -26.060 37.022 -6.424 1.00 21.20 N ATOM 1118 CA GLU A 737 -26.249 38.055 -7.436 1.00 22.23 C ATOM 1119 C GLU A 737 -27.535 38.840 -7.236 1.00 21.89 C ATOM 1120 O GLU A 737 -27.636 39.971 -7.724 1.00 26.65 O ATOM 1121 CB GLU A 737 -26.241 37.434 -8.833 1.00 23.70 C ATOM 1122 CG GLU A 737 -24.916 36.838 -9.233 1.00 27.82 C ATOM 1123 CD GLU A 737 -25.014 36.016 -10.504 1.00 32.80 C ATOM 1124 OE1 GLU A 737 -23.965 35.586 -11.023 1.00 37.51 O ATOM 1125 OE2 GLU A 737 -26.145 35.804 -10.989 1.00 38.07 O ATOM 1126 H GLU A 737 -26.107 36.021 -6.700 1.00 0.00 H ATOM 1127 N LYS A 738 -28.521 38.272 -6.545 1.00 23.00 N ATOM 1128 CA LYS A 738 -29.756 38.990 -6.269 1.00 26.63 C ATOM 1129 C LYS A 738 -29.616 39.990 -5.130 1.00 26.57 C ATOM 1130 O LYS A 738 -30.557 40.748 -4.872 1.00 29.68 O ATOM 1131 CB LYS A 738 -30.882 38.003 -5.955 1.00 29.14 C ATOM 1132 CG LYS A 738 -31.115 36.960 -7.033 1.00 34.69 C ATOM 1133 CD LYS A 738 -32.581 36.569 -7.103 1.00 41.59 C ATOM 1134 CE LYS A 738 -32.765 35.215 -7.768 1.00 48.07 C ATOM 1135 NZ LYS A 738 -32.572 34.096 -6.807 1.00 50.58 N ATOM 1136 HZ1 LYS A 738 -31.610 34.140 -6.415 1.00 0.00 H ATOM 1137 HZ2 LYS A 738 -33.266 34.179 -6.037 1.00 0.00 H ATOM 1138 HZ3 LYS A 738 -32.706 33.190 -7.300 1.00 0.00 H ATOM 1139 H LYS A 738 -28.407 37.299 -6.197 1.00 0.00 H ATOM 1140 N MET A 739 -28.472 40.019 -4.456 1.00 24.02 N ATOM 1141 CA MET A 739 -28.272 40.910 -3.321 1.00 26.01 C ATOM 1142 C MET A 739 -27.845 42.302 -3.772 1.00 35.58 C ATOM 1143 O MET A 739 -26.918 42.448 -4.566 1.00 37.76 O ATOM 1144 CB MET A 739 -27.231 40.321 -2.373 1.00 26.25 C ATOM 1145 CG MET A 739 -27.719 39.091 -1.646 1.00 21.04 C ATOM 1146 SD MET A 739 -26.424 38.242 -0.729 1.00 20.60 S ATOM 1147 CE MET A 739 -27.402 36.964 0.042 1.00 20.92 C ATOM 1148 H MET A 739 -27.698 39.388 -4.746 1.00 0.00 H TER 1149 MET A 739 HETATM 1150 O HOH 1 -21.285 15.740 6.063 1.00 14.14 O HETATM 1151 O HOH 2 -28.842 22.159 4.280 1.00 39.80 O HETATM 1152 O HOH 3 -29.126 25.979 6.335 1.00 43.84 O HETATM 1153 O HOH 4 -19.606 40.498 -4.662 1.00 34.52 O HETATM 1154 O HOH 5 -30.300 43.765 2.333 1.00 44.00 O HETATM 1155 O HOH 6 -15.329 29.984 14.806 1.00 44.19 O HETATM 1156 O HOH 7 8.059 13.213 3.669 1.00 39.59 O HETATM 1157 O HOH 8 -20.645 37.756 13.323 1.00 43.27 O HETATM 1158 O HOH 9 -30.643 32.102 -0.247 1.00 36.56 O HETATM 1159 O HOH 10 -12.500 14.161 -13.073 1.00 16.97 O HETATM 1160 O HOH 11 -6.859 15.874 0.784 1.00 10.21 O HETATM 1161 O HOH 12 2.069 9.795 -0.649 1.00 32.59 O HETATM 1162 O HOH 13 -6.091 -0.495 -8.617 1.00 42.87 O HETATM 1163 O HOH 14 5.281 11.235 -0.756 1.00 36.80 O HETATM 1164 O HOH 15 -27.305 28.024 7.942 1.00 28.49 O HETATM 1165 O HOH 16 -5.420 7.223 0.140 1.00 17.76 O HETATM 1166 O HOH 17 -18.913 16.981 6.097 1.00 17.54 O HETATM 1167 O HOH 18 -4.524 2.457 -3.867 1.00 29.31 O HETATM 1168 O HOH 19 -17.963 22.817 9.515 1.00 21.04 O HETATM 1169 O HOH 20 -7.499 21.570 6.497 1.00 13.21 O HETATM 1170 O HOH 21 -8.266 34.307 -3.112 1.00 18.88 O HETATM 1171 O HOH 22 -11.236 4.978 -13.477 1.00 34.51 O HETATM 1172 O HOH 23 -8.546 30.484 3.211 1.00 22.89 O HETATM 1173 O HOH 24 -25.466 14.294 4.736 1.00 27.96 O HETATM 1174 O HOH 25 -7.692 29.497 -0.897 1.00 33.22 O HETATM 1175 O HOH 26 -4.753 25.003 5.919 1.00 18.76 O HETATM 1176 O HOH 27 -5.781 32.686 -5.303 1.00 43.19 O HETATM 1177 O HOH 28 -7.979 16.544 12.157 1.00 27.46 O HETATM 1178 O HOH 29 -28.972 19.391 -3.605 1.00 28.80 O HETATM 1179 O HOH 30 -27.269 11.323 -5.265 1.00 41.07 O HETATM 1180 O HOH 31 -16.525 15.119 12.053 1.00 38.95 O HETATM 1181 O HOH 32 -12.691 37.015 1.220 1.00 14.59 O HETATM 1182 O HOH 33 -16.879 15.027 -12.746 1.00 26.91 O HETATM 1183 O HOH 34 -23.156 39.884 10.002 1.00 35.64 O HETATM 1184 O HOH 35 -20.428 25.329 -10.209 1.00 28.68 O HETATM 1185 O HOH 36 -14.506 21.648 -6.985 1.00 31.10 O HETATM 1186 O HOH 37 -15.297 14.509 14.784 1.00 43.51 O HETATM 1187 O HOH 38 -19.110 35.389 13.248 1.00 25.87 O HETATM 1188 O HOH 39 -24.262 11.679 6.984 1.00 25.62 O HETATM 1189 O HOH 40 -27.244 28.219 -0.576 1.00 15.40 O HETATM 1190 O HOH 41 -6.923 19.218 2.543 1.00 10.38 O HETATM 1191 O HOH 42 -4.913 21.257 -4.578 1.00 17.46 O HETATM 1192 O HOH 43 -1.743 8.350 -1.621 1.00 25.15 O HETATM 1193 O HOH 44 -9.482 24.052 11.621 1.00 31.86 O HETATM 1194 O HOH 45 5.141 17.130 4.670 1.00 27.54 O HETATM 1195 O HOH 46 2.843 22.330 2.188 1.00 25.69 O HETATM 1196 O HOH 47 -20.642 14.319 -2.547 1.00 16.51 O HETATM 1197 O HOH 48 -17.790 44.639 -6.362 1.00 30.02 O HETATM 1198 O HOH 49 -8.360 23.881 -6.368 1.00 18.50 O HETATM 1199 O HOH 50 -13.878 31.822 13.597 1.00 20.21 O HETATM 1200 O HOH 51 -21.693 9.427 8.328 1.00 22.87 O HETATM 1201 O HOH 52 -29.195 35.637 2.709 1.00 19.02 O HETATM 1202 O HOH 53 -8.267 29.295 9.389 1.00 27.22 O HETATM 1203 O HOH 54 -9.958 31.651 -0.732 1.00 23.46 O HETATM 1204 O HOH 55 -10.429 15.918 5.618 1.00 10.75 O HETATM 1205 O HOH 56 -25.993 18.913 -5.812 1.00 21.78 O HETATM 1206 O HOH 57 -30.767 30.301 -6.884 1.00 43.98 O HETATM 1207 O HOH 58 -30.539 36.446 -2.338 1.00 34.31 O HETATM 1208 O HOH 59 -27.059 24.376 -9.958 1.00 29.52 O HETATM 1209 O HOH 60 -10.563 0.630 -7.087 1.00 19.74 O HETATM 1210 O HOH 61 3.251 15.151 9.983 1.00 18.18 O HETATM 1211 O HOH 62 -16.176 18.320 13.743 1.00 48.10 O HETATM 1212 O HOH 63 -17.121 20.182 9.891 1.00 17.32 O HETATM 1213 O HOH 64 -19.334 37.934 -3.849 1.00 20.39 O HETATM 1214 O HOH 65 -0.977 8.178 3.054 1.00 37.81 O HETATM 1215 O HOH 66 -7.057 24.558 9.670 1.00 23.23 O HETATM 1216 O HOH 67 -20.487 46.671 -0.290 1.00 12.59 O HETATM 1217 O HOH 68 -27.379 26.033 -3.290 1.00 15.78 O HETATM 1218 O HOH 69 -26.351 40.939 0.962 1.00 22.10 O HETATM 1219 O HOH 70 -8.949 17.622 1.189 1.00 10.34 O HETATM 1220 O HOH 71 -27.172 19.698 0.082 1.00 20.40 O HETATM 1221 O HOH 72 -10.020 14.466 9.574 1.00 16.98 O HETATM 1222 O HOH 73 -16.510 9.164 -8.170 1.00 17.60 O HETATM 1223 O HOH 74 -4.515 18.913 7.223 1.00 13.27 O HETATM 1224 O HOH 75 -28.063 30.578 7.031 1.00 15.33 O HETATM 1225 O HOH 76 -24.115 12.962 -1.305 1.00 21.03 O HETATM 1226 O HOH 77 -16.629 35.406 5.992 1.00 13.58 O HETATM 1227 O HOH 78 -8.996 26.344 -5.276 1.00 13.97 O HETATM 1228 O HOH 79 -18.464 12.920 -1.688 1.00 16.56 O HETATM 1229 O HOH 80 -16.818 24.534 -7.592 1.00 34.70 O HETATM 1230 O HOH 81 -10.390 17.716 3.514 1.00 11.36 O HETATM 1231 O HOH 82 -23.120 24.457 -14.152 1.00 30.29 O HETATM 1232 O HOH 83 -12.735 40.626 7.963 1.00 23.72 O HETATM 1233 O HOH 84 -0.486 14.023 -7.388 1.00 25.18 O HETATM 1234 O HOH 85 -13.426 30.873 -7.029 1.00 23.76 O HETATM 1235 O HOH 86 -3.872 6.550 -9.188 1.00 11.25 O HETATM 1236 O HOH 87 -25.022 37.177 9.192 1.00 17.18 O HETATM 1237 O HOH 88 -3.052 22.956 -1.754 1.00 14.73 O HETATM 1238 O HOH 89 -6.928 19.119 5.521 1.00 12.03 O HETATM 1239 O HOH 90 2.775 9.472 4.947 1.00 37.02 O HETATM 1240 O HOH 91 -14.189 13.476 10.324 1.00 25.10 O HETATM 1241 O HOH 92 -10.925 11.992 -12.088 1.00 14.38 O HETATM 1242 O HOH 93 -23.035 37.446 11.116 1.00 26.46 O HETATM 1243 O HOH 94 -11.293 20.416 -8.241 1.00 28.99 O HETATM 1244 O HOH 95 0.496 11.103 -2.687 1.00 31.18 O HETATM 1245 O HOH 96 -21.391 20.463 -11.026 1.00 34.39 O HETATM 1246 O HOH 97 -24.691 20.205 6.937 1.00 25.97 O HETATM 1247 O HOH 98 -8.999 3.713 -10.818 1.00 23.80 O HETATM 1248 O HOH 99 -3.859 6.693 -2.109 1.00 14.13 O HETATM 1249 O HOH 100 -15.581 10.540 9.069 1.00 35.84 O HETATM 1250 O HOH 101 -9.739 30.884 12.758 1.00 38.69 O HETATM 1251 O HOH 102 -22.515 26.827 8.043 1.00 18.33 O HETATM 1252 O HOH 103 2.241 16.415 6.353 1.00 16.75 O HETATM 1253 O HOH 104 -17.076 21.921 -8.473 1.00 27.38 O HETATM 1254 O HOH 105 -19.573 39.820 -1.768 1.00 23.62 O HETATM 1255 O HOH 106 -20.427 28.920 -8.640 1.00 30.31 O HETATM 1256 O HOH 107 -10.891 18.863 -10.534 1.00 16.37 O HETATM 1257 O HOH 108 -26.025 31.436 -15.021 1.00 21.62 O HETATM 1258 O HOH 109 -16.934 7.802 6.835 1.00 30.83 O HETATM 1259 O HOH 110 -10.481 27.314 -7.356 1.00 19.50 O HETATM 1260 O HOH 111 7.092 19.808 3.374 1.00 43.75 O HETATM 1261 O HOH 112 -14.329 4.476 -13.269 1.00 29.27 O HETATM 1262 O HOH 113 -7.702 29.146 5.812 1.00 18.86 O HETATM 1263 O HOH 114 -28.071 16.340 -0.302 1.00 38.99 O HETATM 1264 O HOH 115 -16.860 36.597 -6.128 1.00 23.34 O HETATM 1265 O HOH 116 -26.289 14.004 0.377 1.00 24.31 O HETATM 1266 O HOH 117 -9.102 36.142 1.094 1.00 24.64 O HETATM 1267 O HOH 118 -7.074 5.945 -14.846 1.00 18.81 O HETATM 1268 O HOH 119 -12.529 14.691 8.448 1.00 14.38 O HETATM 1269 O HOH 120 -31.006 23.147 1.826 1.00 33.49 O HETATM 1270 O HOH 121 -22.231 17.075 7.665 1.00 31.85 O HETATM 1271 O HOH 122 7.354 12.738 0.000 1.00 29.31 O HETATM 1272 O HOH 123 -21.246 29.544 -10.464 1.00 37.46 O HETATM 1273 O HOH 124 -15.118 8.674 -10.537 1.00 20.45 O HETATM 1274 O HOH 125 -26.990 32.968 10.632 1.00 16.61 O HETATM 1275 O HOH 126 -2.952 15.150 13.254 1.00 27.17 O HETATM 1276 O HOH 127 -31.120 27.078 -1.075 1.00 40.52 O HETATM 1277 O HOH 128 -21.609 12.317 12.223 1.00 37.20 O HETATM 1278 O HOH 129 -10.417 23.247 -8.493 1.00 31.96 O HETATM 1279 O HOH 130 -28.449 24.428 4.466 1.00 43.86 O HETATM 1280 O HOH 131 -21.478 43.746 -6.738 1.00 33.26 O HETATM 1281 O HOH 132 -10.868 13.894 -11.272 1.00 21.14 O HETATM 1282 O HOH 133 -30.072 35.188 -10.222 1.00 37.82 O HETATM 1283 O HOH 134 -13.887 19.821 14.580 1.00 43.90 O HETATM 1284 O HOH 135 -17.375 18.156 -12.083 1.00 29.70 O HETATM 1285 O HOH 136 -4.553 13.499 14.655 1.00 45.47 O HETATM 1286 O HOH 137 -4.929 4.115 -8.683 1.00 15.71 O HETATM 1287 O HOH 138 -1.024 21.779 -3.650 1.00 26.35 O HETATM 1288 O HOH 139 -21.168 10.093 -1.812 1.00 30.47 O HETATM 1289 O HOH 140 -3.957 17.774 11.520 1.00 28.25 O HETATM 1290 O HOH 141 -23.548 14.710 9.418 1.00 44.37 O HETATM 1291 O HOH 142 -6.526 33.011 0.543 1.00 48.65 O HETATM 1292 O HOH 143 -15.315 13.316 -14.201 1.00 30.41 O HETATM 1293 O HOH 144 -2.885 2.549 -7.545 1.00 36.12 O HETATM 1294 O HOH 145 -23.776 44.375 9.710 1.00 29.57 O HETATM 1295 O HOH 146 -22.669 10.997 10.510 1.00 29.65 O HETATM 1296 O HOH 147 -19.150 20.623 -11.168 1.00 39.10 O HETATM 1297 O HOH 148 -28.067 22.570 -6.086 1.00 35.24 O HETATM 1298 O HOH 149 -21.239 24.780 8.724 1.00 27.71 O HETATM 1299 O HOH 150 -6.623 27.698 -5.084 1.00 25.67 O HETATM 1300 O HOH 151 -23.418 14.823 6.357 1.00 33.38 O HETATM 1301 O HOH 152 -26.192 33.723 -14.740 1.00 40.34 O HETATM 1302 O HOH 153 3.219 8.527 10.695 1.00 49.43 O HETATM 1303 O HOH 154 -32.758 33.160 -10.075 1.00 47.61 O HETATM 1304 O HOH 155 3.559 21.370 -3.011 1.00 46.65 O HETATM 1305 O HOH 156 -29.243 28.262 -3.679 1.00 36.10 O HETATM 1306 O HOH 157 -33.121 30.211 2.384 1.00 43.09 O HETATM 1307 O HOH 158 -1.026 7.797 -3.715 1.00 42.46 O HETATM 1308 O HOH 159 -0.403 7.564 0.601 1.00 39.93 O HETATM 1309 O HOH 160 -22.642 42.308 11.349 1.00 34.70 O HETATM 1310 O HOH 161 -27.032 44.581 7.267 1.00 39.86 O HETATM 1311 O HOH 162 4.831 10.142 -3.840 1.00 39.44 O HETATM 1312 O HOH 163 -23.968 17.500 7.145 1.00 42.32 O HETATM 1313 O HOH 164 -9.405 17.736 13.878 1.00 41.00 O HETATM 1314 O HOH 165 -5.871 28.894 -2.525 1.00 37.38 O HETATM 1315 O HOH 166 6.314 12.167 -5.267 1.00 34.11 O HETATM 1316 O HOH 167 -29.543 32.658 2.460 1.00 23.68 O HETATM 1317 O HOH 168 5.574 21.404 -3.395 1.00 50.15 O HETATM 1318 O HOH 169 -12.434 9.510 -11.663 1.00 20.21 O HETATM 1319 O HOH 170 -25.864 28.248 10.239 1.00 36.76 O HETATM 1320 O HOH 171 -10.302 25.721 -9.720 1.00 41.11 O HETATM 1321 O HOH 172 6.643 15.596 -4.099 1.00 46.23 O HETATM 1322 O HOH 173 -17.839 12.390 11.813 1.00 33.17 O HETATM 1323 O HOH 174 -27.053 35.150 12.356 1.00 18.33 O HETATM 1324 O HOH 175 -21.886 48.936 -0.993 1.00 25.77 O HETATM 1325 O HOH 176 -28.648 21.337 -1.631 1.00 23.09 O HETATM 1326 O HOH 177 -11.453 19.837 13.847 1.00 37.32 O HETATM 1327 O HOH 178 -6.279 3.323 -10.935 1.00 18.00 O HETATM 1328 O HOH 179 -6.008 30.875 10.212 1.00 46.37 O HETATM 1329 O HOH 180 -27.309 23.863 -16.077 1.00 24.55 O HETATM 1330 O HOH 181 -5.592 23.151 7.887 1.00 16.87 O HETATM 1331 O HOH 182 -9.173 13.292 11.827 1.00 35.24 O HETATM 1332 O HOH 183 -17.905 23.707 -9.525 1.00 36.39 O HETATM 1333 O HOH 184 -28.708 23.578 -3.863 1.00 28.25 O HETATM 1334 O HOH 185 0.075 24.005 5.893 1.00 42.66 O HETATM 1335 O HOH 186 3.630 23.589 -1.976 1.00 46.57 O HETATM 1336 O HOH 187 -2.897 25.516 -3.061 1.00 24.59 O HETATM 1337 O HOH 188 -14.299 6.433 -15.000 1.00 31.79 O HETATM 1338 O HOH 189 -12.640 2.276 -13.745 1.00 37.93 O HETATM 1339 O HOH 190 -6.233 34.493 -1.408 1.00 32.34 O HETATM 1340 O HOH 191 -1.489 13.183 17.946 1.00 43.97 O HETATM 1341 O HOH 192 -13.628 41.324 10.841 1.00 49.64 O HETATM 1342 O HOH 193 -30.648 36.988 4.703 1.00 26.46 O HETATM 1343 O HOH 194 -20.193 18.349 -12.711 1.00 43.96 O HETATM 1344 O HOH 195 -5.516 16.840 13.048 1.00 44.35 O HETATM 1345 O HOH 196 -28.191 20.471 -5.947 1.00 34.65 O HETATM 1346 O HOH 197 -31.393 31.764 4.145 1.00 28.51 O HETATM 1347 O HOH 198 -30.671 30.500 5.658 1.00 32.51 O HETATM 1348 O HOH 199 -17.764 18.834 12.277 1.00 40.94 O HETATM 1349 O HOH 200 -26.747 30.543 11.785 1.00 26.66 O HETATM 1350 O HOH 201 -10.879 30.076 -8.010 1.00 28.37 O HETATM 1351 O HOH 202 -3.303 4.025 -2.477 1.00 23.74 O HETATM 1352 O HOH 203 -5.670 27.527 6.560 1.00 24.54 O HETATM 1353 O HOH 204 -1.118 29.182 2.166 1.00 48.19 O HETATM 1354 O HOH 205 -28.968 42.073 0.338 1.00 35.48 O HETATM 1355 O HOH 206 -6.684 23.389 12.143 1.00 46.55 O HETATM 1356 O HOH 207 -3.561 20.183 11.073 1.00 24.00 O HETATM 1357 O HOH 208 -1.811 17.055 14.726 1.00 39.29 O HETATM 1358 O HOH 209 -1.083 28.918 0.203 1.00 43.25 O HETATM 1359 O HOH 210 -1.957 25.037 6.505 1.00 33.43 O HETATM 1360 O HOH 211 -8.882 22.373 13.401 1.00 39.35 O HETATM 1361 O HOH 212 -3.159 6.727 2.055 1.00 31.71 O HETATM 1362 O HOH 213 -5.806 0.621 -11.361 1.00 33.83 O HETATM 1363 O HOH 214 -1.470 7.007 -8.008 1.00 15.08 O HETATM 1364 O HOH 215 -6.237 27.355 9.098 1.00 29.62 O HETATM 1365 O HOH 216 -3.662 21.189 8.464 1.00 16.97 O HETATM 1366 O HOH 217 -29.167 31.881 9.328 1.00 17.88 O HETATM 1367 O HOH 218 -3.346 28.008 -2.159 1.00 32.66 O HETATM 1368 O HOH 219 -20.219 16.714 -15.488 1.00 34.80 O HETATM 1369 O HOH 220 -1.284 19.732 12.634 1.00 24.93 O HETATM 1370 O HOH 221 -30.631 40.399 0.424 1.00 40.87 O HETATM 1371 O HOH 222 -0.917 4.291 -3.946 1.00 42.68 O HETATM 1372 O HOH 223 -1.321 22.523 7.838 1.00 19.81 O HETATM 1373 O HOH 224 -0.786 4.676 -6.662 1.00 26.11 O HETATM 1374 O HOH 225 -5.557 21.354 12.799 1.00 31.88 O HETATM 1375 O HOH 226 -32.481 32.816 5.977 1.00 31.33 O HETATM 1376 O HOH 227 -1.863 26.661 8.724 1.00 39.92 O HETATM 1377 O HOH 228 0.696 22.618 9.759 1.00 27.26 O HETATM 1378 N KGU A 229 -7.833 7.644 9.611 1.00 0.26 N HETATM 1379 CA KGU A 229 -6.477 8.209 9.500 1.00 0.06 C HETATM 1380 C KGU A 229 -6.379 9.057 8.223 1.00 0.24 C HETATM 1381 O KGU A 229 -5.303 9.167 7.639 1.00 -0.38 O HETATM 1382 NAU KGU A 229 -7.542 9.654 7.890 1.00 -0.24 N HETATM 1383 CAW KGU A 229 -7.759 10.416 6.794 1.00 0.06 C HETATM 1384 CAG KGU A 229 -6.815 10.701 5.794 1.00 -0.04 C HETATM 1385 CBA KGU A 229 -7.144 11.476 4.674 1.00 0.07 C HETATM 1386 CBB KGU A 229 -8.440 11.974 4.555 1.00 0.07 C HETATM 1387 CAH KGU A 229 -9.381 11.686 5.546 1.00 -0.04 C HETATM 1388 CAX KGU A 229 -9.065 10.903 6.655 1.00 0.04 C HETATM 1389 NBE KGU A 229 -10.043 10.700 7.572 1.00 -0.32 N HETATM 1390 CAN KGU A 229 -9.871 11.201 8.964 1.00 0.02 C HETATM 1391 CAJ KGU A 229 -10.779 10.512 9.972 1.00 -0.03 C HETATM 1392 CAI KGU A 229 -12.199 10.515 9.450 1.00 -0.05 C HETATM 1393 CAK KGU A 229 -12.240 9.657 8.205 1.00 -0.03 C HETATM 1394 CAO KGU A 229 -11.397 10.297 7.110 1.00 0.02 C HETATM 1395 H27 KGU A 229 -11.921 11.192 6.743 1.00 0.05 H HETATM 1396 H28 KGU A 229 -11.285 9.575 6.288 1.00 0.05 H HETATM 1397 H19 KGU A 229 -13.280 9.565 7.859 1.00 0.03 H HETATM 1398 H20 KGU A 229 -11.841 8.658 8.436 1.00 0.03 H HETATM 1399 H15 KGU A 229 -12.505 11.543 9.205 1.00 0.03 H HETATM 1400 H16 KGU A 229 -12.877 10.102 10.211 1.00 0.03 H HETATM 1401 H17 KGU A 229 -10.444 9.475 10.119 1.00 0.03 H HETATM 1402 H18 KGU A 229 -10.739 11.050 10.931 1.00 0.03 H HETATM 1403 H25 KGU A 229 -8.826 11.037 9.267 1.00 0.05 H HETATM 1404 H26 KGU A 229 -10.091 12.279 8.976 1.00 0.05 H HETATM 1405 H14 KGU A 229 -10.385 12.082 5.450 1.00 0.03 H HETATM 1406 NBG KGU A 229 -8.770 12.727 3.483 1.00 -0.22 N HETATM 1407 CAM KGU A 229 -10.138 13.258 3.327 1.00 0.05 C HETATM 1408 CAB KGU A 229 -11.024 12.273 2.569 1.00 -0.04 C HETATM 1409 H7 KGU A 229 -12.036 12.693 2.467 1.00 0.03 H HETATM 1410 H8 KGU A 229 -11.075 11.324 3.123 1.00 0.03 H HETATM 1411 H9 KGU A 229 -10.600 12.092 1.570 1.00 0.03 H HETATM 1412 H23 KGU A 229 -10.570 13.438 4.323 1.00 0.06 H HETATM 1413 H24 KGU A 229 -10.095 14.205 2.770 1.00 0.06 H HETATM 1414 CAZ KGU A 229 -7.865 12.988 2.514 1.00 0.31 C HETATM 1415 CAY KGU A 229 -6.559 12.494 2.641 1.00 0.31 C HETATM 1416 NBF KGU A 229 -6.218 11.750 3.718 1.00 -0.22 N HETATM 1417 CAL KGU A 229 -4.830 11.217 3.843 1.00 0.05 C HETATM 1418 CAA KGU A 229 -4.725 9.775 3.333 1.00 -0.04 C HETATM 1419 H4 KGU A 229 -3.689 9.422 3.443 1.00 0.03 H HETATM 1420 H5 KGU A 229 -5.014 9.739 2.272 1.00 0.03 H HETATM 1421 H6 KGU A 229 -5.396 9.129 3.918 1.00 0.03 H HETATM 1422 H21 KGU A 229 -4.151 11.852 3.256 1.00 0.06 H HETATM 1423 H22 KGU A 229 -4.533 11.243 4.902 1.00 0.06 H HETATM 1424 OAE KGU A 229 -5.711 12.735 1.770 1.00 -0.35 O HETATM 1425 OAF KGU A 229 -8.189 13.642 1.520 1.00 -0.35 O HETATM 1426 H13 KGU A 229 -5.808 10.312 5.891 1.00 0.03 H HETATM 1427 H37 KGU A 229 -8.315 9.521 8.511 1.00 0.22 H HETATM 1428 H2 KGU A 229 -5.742 7.392 9.455 1.00 0.11 H HETATM 1429 H3 KGU A 229 -6.270 8.841 10.376 1.00 0.11 H HETATM 1430 CAR KGU A 229 -8.014 6.507 8.695 1.00 0.01 C HETATM 1431 CAP KGU A 229 -9.442 5.983 8.780 1.00 0.01 C HETATM 1432 NBC KGU A 229 -9.762 5.560 10.153 1.00 0.24 N HETATM 1433 CAC KGU A 229 -11.168 5.130 10.218 1.00 -0.04 C HETATM 1434 H10 KGU A 229 -11.328 4.293 9.523 1.00 0.08 H HETATM 1435 H11 KGU A 229 -11.822 5.969 9.938 1.00 0.08 H HETATM 1436 H12 KGU A 229 -11.405 4.806 11.242 1.00 0.08 H HETATM 1437 CAQ KGU A 229 -9.546 6.680 11.083 1.00 0.01 C HETATM 1438 CAS KGU A 229 -8.117 7.200 10.985 1.00 0.01 C HETATM 1439 H35 KGU A 229 -7.990 8.047 11.675 1.00 0.09 H HETATM 1440 H36 KGU A 229 -7.418 6.396 11.259 1.00 0.09 H HETATM 1441 H31 KGU A 229 -10.243 7.494 10.835 1.00 0.09 H HETATM 1442 H32 KGU A 229 -9.735 6.336 12.111 1.00 0.09 H HETATM 1443 H38 KGU A 229 -9.165 4.791 10.413 1.00 0.20 H HETATM 1444 H29 KGU A 229 -9.552 5.123 8.103 1.00 0.09 H HETATM 1445 H30 KGU A 229 -10.137 6.780 8.477 1.00 0.09 H HETATM 1446 H33 KGU A 229 -7.315 5.704 8.971 1.00 0.09 H HETATM 1447 H34 KGU A 229 -7.808 6.834 7.665 1.00 0.09 H HETATM 1448 H1 KGU A 229 -8.494 8.364 9.364 1.00 0.21 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1378 1379 1430 1438 1448 CONECT 1379 1378 1380 1428 1429 CONECT 1380 1379 1381 1382 CONECT 1381 1380 CONECT 1382 1380 1383 1427 CONECT 1383 1382 1384 1388 CONECT 1384 1383 1385 1426 CONECT 1385 1384 1386 1416 CONECT 1386 1385 1387 1406 CONECT 1387 1386 1388 1405 CONECT 1388 1383 1387 1389 CONECT 1389 1388 1390 1394 CONECT 1390 1389 1391 1403 1404 CONECT 1391 1390 1392 1401 1402 CONECT 1392 1391 1393 1399 1400 CONECT 1393 1392 1394 1397 1398 CONECT 1394 1389 1393 1395 1396 CONECT 1395 1394 CONECT 1396 1394 CONECT 1397 1393 CONECT 1398 1393 CONECT 1399 1392 CONECT 1400 1392 CONECT 1401 1391 CONECT 1402 1391 CONECT 1403 1390 CONECT 1404 1390 CONECT 1405 1387 CONECT 1406 1386 1407 1414 CONECT 1407 1406 1408 1412 1413 CONECT 1408 1407 1409 1410 1411 CONECT 1409 1408 CONECT 1410 1408 CONECT 1411 1408 CONECT 1412 1407 CONECT 1413 1407 CONECT 1414 1406 1415 1425 CONECT 1415 1414 1416 1424 CONECT 1416 1385 1415 1417 CONECT 1417 1416 1418 1422 1423 CONECT 1418 1417 1419 1420 1421 CONECT 1419 1418 CONECT 1420 1418 CONECT 1421 1418 CONECT 1422 1417 CONECT 1423 1417 CONECT 1424 1415 CONECT 1425 1414 CONECT 1426 1384 CONECT 1427 1382 CONECT 1428 1379 CONECT 1429 1379 CONECT 1430 1378 1431 1446 1447 CONECT 1431 1430 1432 1444 1445 CONECT 1432 1431 1433 1437 1443 CONECT 1433 1432 1434 1435 1436 CONECT 1434 1433 CONECT 1435 1433 CONECT 1436 1433 CONECT 1437 1432 1438 1441 1442 CONECT 1438 1378 1437 1439 1440 CONECT 1439 1438 CONECT 1440 1438 CONECT 1441 1437 CONECT 1442 1437 CONECT 1443 1432 CONECT 1444 1431 CONECT 1445 1431 CONECT 1446 1430 CONECT 1447 1430 CONECT 1448 1378 MASTER 0 0 0 0 0 0 0 0 1447 1 75 9 END
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Structure:
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Related entries of code: 5mwz
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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PDBbind
118aa, >4UYE_1|Chains... *
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PDBbind
116aa, >5C7N_1|Chain... at 97%
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PDBbind
116aa, >5C85_1|Chain... at 97%
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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%
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
5mwz
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Peregrin
Ligand Name
KGU
EC.Number
E.C.-.-.-.-
Resolution
1.25(Å)
Affinity (Kd/Ki/IC50)
Kd=7.1uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Eur J Med Chem Vol. 155: pp. 337-352
Ligand Properties
Formula
C
2
4
H
3
8
N
6
O
3
Molecular Weight
458.597
Exact Mass
458.301
No. of atoms
71
No. of bonds
74
Polar Surface Area
85.22
LOGP Value
1.57 (
Computed with XLOGP3
)
1.82 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
Canonical SMILES
CCn1c2cc(NC(=O)C[N@@H+]3CC[N@H+](CC3)C)c(cc2n(c(=O)c1=O)CC)N1CCCCC1
InChI String
InChI=1S/C24H36N6O3/c1-4-29-20-15-18(25-22(31)17-27-13-11-26(3)12-14-27)19(28-9-7-6-8-10-28)16-21(20)30(5-2)24(33)23(29)32/h15-16H,4-14,17H2,1-3H3,(H,25,31)/p+2
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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