Browse entries in the PDBbind-CN Database
HEADER 5E3D_COMPLEX COMPND 5E3D_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 112 MET GLN LEU THR PRO PHE LEU ILE LEU LEU ARG LYS THR SEQRES 2 A 112 LEU GLU GLN LEU GLN GLU LYS ASP THR GLY ASN ILE PHE SEQRES 3 A 112 SER GLU PRO VAL PRO LEU SER GLU VAL PRO ASP TYR LEU SEQRES 4 A 112 ASP HIS ILE LYS LYS PRO MET ASP PHE PHE THR MET LYS SEQRES 5 A 112 GLN ASN LEU GLU ALA TYR ARG TYR LEU ASN PHE ASP ASP SEQRES 6 A 112 PHE GLU GLU ASP PHE ASN LEU ILE VAL SER ASN CYS LEU SEQRES 7 A 112 LYS TYR ASN ALA LYS ASP THR ILE PHE TYR ARG ALA ALA SEQRES 8 A 112 VAL ARG LEU ARG GLU GLN GLY GLY ALA VAL LEU ARG GLN SEQRES 9 A 112 ALA ARG ARG GLN ALA GLU LYS MET HET UNN A 188 16 ATOM 1 N MET A 628 23.533 -45.222 -2.001 1.00 71.58 N ATOM 2 CA MET A 628 24.500 -44.449 -1.224 1.00 71.78 C ATOM 3 C MET A 628 24.209 -44.512 0.280 1.00 68.16 C ATOM 4 O MET A 628 23.146 -44.983 0.709 1.00 60.62 O ATOM 5 CB MET A 628 24.520 -42.989 -1.692 1.00 66.65 C ATOM 6 CG MET A 628 23.147 -42.334 -1.684 1.00 68.10 C ATOM 7 SD MET A 628 23.145 -40.536 -1.879 1.00 69.06 S ATOM 8 CE MET A 628 23.398 -40.364 -3.647 1.00 72.26 C ATOM 9 HN3 MET A 628 22.578 -44.844 -1.838 1.00 0.00 H ATOM 10 HN2 MET A 628 23.568 -46.218 -1.704 1.00 0.00 H ATOM 11 HN1 MET A 628 23.767 -45.152 -3.012 1.00 0.00 H ATOM 12 N GLN A 629 25.174 -44.027 1.063 1.00 67.07 N ATOM 13 CA GLN A 629 25.105 -44.026 2.521 1.00 55.77 C ATOM 14 C GLN A 629 24.447 -42.737 3.014 1.00 51.89 C ATOM 15 O GLN A 629 24.631 -41.664 2.427 1.00 50.93 O ATOM 16 CB GLN A 629 26.513 -44.175 3.110 1.00 58.50 C ATOM 17 CG GLN A 629 26.602 -44.172 4.630 1.00 66.60 C ATOM 18 CD GLN A 629 28.041 -44.119 5.128 1.00 75.25 C ATOM 19 OE1 GLN A 629 28.986 -44.157 4.338 1.00 75.79 O ATOM 20 NE2 GLN A 629 28.212 -44.027 6.443 1.00 81.08 N ATOM 21 HE22 GLN A 629 27.386 -43.998 7.074 1.00 0.00 H ATOM 22 HE21 GLN A 629 29.172 -43.984 6.841 1.00 0.00 H ATOM 23 H GLN A 629 26.021 -43.628 0.610 1.00 0.00 H ATOM 24 N LEU A 630 23.683 -42.853 4.106 1.00 51.93 N ATOM 25 CA LEU A 630 22.819 -41.758 4.544 1.00 49.69 C ATOM 26 C LEU A 630 23.617 -40.628 5.188 1.00 51.62 C ATOM 27 O LEU A 630 23.383 -39.448 4.900 1.00 50.15 O ATOM 28 CB LEU A 630 21.768 -42.288 5.521 1.00 58.99 C ATOM 29 CG LEU A 630 20.903 -41.242 6.232 1.00 55.35 C ATOM 30 CD1 LEU A 630 20.074 -40.467 5.235 1.00 51.61 C ATOM 31 CD2 LEU A 630 20.013 -41.909 7.279 1.00 61.42 C ATOM 32 H LEU A 630 23.704 -43.737 4.653 1.00 0.00 H ATOM 33 N THR A 631 24.548 -40.970 6.083 1.00 52.37 N ATOM 34 CA THR A 631 25.245 -39.936 6.847 1.00 55.64 C ATOM 35 C THR A 631 25.988 -38.940 5.966 1.00 51.19 C ATOM 36 O THR A 631 25.835 -37.728 6.194 1.00 49.82 O ATOM 37 CB THR A 631 26.186 -40.584 7.873 1.00 59.63 C ATOM 38 OG1 THR A 631 25.428 -41.068 8.987 1.00 63.32 O ATOM 39 CG2 THR A 631 27.224 -39.580 8.367 1.00 58.87 C ATOM 40 HG1 THR A 631 26.040 -41.484 9.645 1.00 0.00 H ATOM 41 H THR A 631 24.777 -41.973 6.237 1.00 0.00 H ATOM 42 N PRO A 632 26.792 -39.345 4.971 1.00 55.58 N ATOM 43 CA PRO A 632 27.452 -38.326 4.130 1.00 50.78 C ATOM 44 C PRO A 632 26.479 -37.489 3.321 1.00 46.78 C ATOM 45 O PRO A 632 26.727 -36.298 3.084 1.00 45.79 O ATOM 46 CB PRO A 632 28.377 -39.152 3.221 1.00 54.15 C ATOM 47 CG PRO A 632 27.930 -40.575 3.359 1.00 61.51 C ATOM 48 CD PRO A 632 27.335 -40.695 4.715 1.00 59.48 C ATOM 49 N PHE A 633 25.370 -38.084 2.884 1.00 45.68 N ATOM 50 CA PHE A 633 24.357 -37.322 2.168 1.00 42.81 C ATOM 51 C PHE A 633 23.774 -36.226 3.046 1.00 41.55 C ATOM 52 O PHE A 633 23.561 -35.099 2.585 1.00 41.21 O ATOM 53 CB PHE A 633 23.250 -38.260 1.683 1.00 42.44 C ATOM 54 CG PHE A 633 22.146 -37.553 0.955 1.00 39.90 C ATOM 55 CD1 PHE A 633 20.892 -37.414 1.533 1.00 40.47 C ATOM 56 CD2 PHE A 633 22.366 -37.016 -0.298 1.00 41.32 C ATOM 57 CE1 PHE A 633 19.867 -36.755 0.865 1.00 37.87 C ATOM 58 CE2 PHE A 633 21.348 -36.347 -0.969 1.00 43.76 C ATOM 59 CZ PHE A 633 20.095 -36.228 -0.380 1.00 41.47 C ATOM 60 H PHE A 633 25.227 -39.100 3.056 1.00 0.00 H ATOM 61 N LEU A 634 23.498 -36.530 4.313 1.00 42.80 N ATOM 62 CA LEU A 634 22.946 -35.503 5.187 1.00 42.16 C ATOM 63 C LEU A 634 23.992 -34.443 5.500 1.00 42.68 C ATOM 64 O LEU A 634 23.669 -33.254 5.575 1.00 45.65 O ATOM 65 CB LEU A 634 22.401 -36.116 6.471 1.00 48.32 C ATOM 66 CG LEU A 634 21.157 -36.992 6.274 1.00 47.03 C ATOM 67 CD1 LEU A 634 20.593 -37.370 7.621 1.00 52.94 C ATOM 68 CD2 LEU A 634 20.111 -36.272 5.436 1.00 41.05 C ATOM 69 H LEU A 634 23.674 -37.489 4.674 1.00 0.00 H ATOM 70 N ILE A 635 25.251 -34.853 5.669 1.00 45.98 N ATOM 71 CA ILE A 635 26.299 -33.855 5.884 1.00 49.22 C ATOM 72 C ILE A 635 26.394 -32.924 4.678 1.00 47.70 C ATOM 73 O ILE A 635 26.634 -31.714 4.829 1.00 48.08 O ATOM 74 CB ILE A 635 27.646 -34.536 6.217 1.00 64.03 C ATOM 75 CG1 ILE A 635 28.377 -33.747 7.308 1.00 77.20 C ATOM 76 CG2 ILE A 635 28.558 -34.646 4.994 1.00 66.24 C ATOM 77 CD1 ILE A 635 27.700 -33.803 8.666 1.00 79.79 C ATOM 78 H ILE A 635 25.483 -35.866 5.648 1.00 0.00 H ATOM 79 N LEU A 636 26.145 -33.447 3.471 1.00 43.62 N ATOM 80 CA LEU A 636 26.148 -32.604 2.279 1.00 41.01 C ATOM 81 C LEU A 636 24.952 -31.657 2.261 1.00 39.26 C ATOM 82 O LEU A 636 25.097 -30.481 1.912 1.00 39.97 O ATOM 83 CB LEU A 636 26.169 -33.476 1.021 1.00 42.47 C ATOM 84 CG LEU A 636 25.902 -32.787 -0.314 1.00 45.27 C ATOM 85 CD1 LEU A 636 27.022 -31.810 -0.665 1.00 44.55 C ATOM 86 CD2 LEU A 636 25.705 -33.802 -1.427 1.00 49.05 C ATOM 87 H LEU A 636 25.947 -34.464 3.382 1.00 0.00 H ATOM 88 N LEU A 637 23.756 -32.144 2.624 1.00 38.18 N ATOM 89 CA LEU A 637 22.611 -31.234 2.665 1.00 35.68 C ATOM 90 C LEU A 637 22.786 -30.156 3.727 1.00 36.37 C ATOM 91 O LEU A 637 22.347 -29.021 3.529 1.00 40.81 O ATOM 92 CB LEU A 637 21.310 -32.000 2.914 1.00 36.36 C ATOM 93 CG LEU A 637 20.845 -32.943 1.806 1.00 36.52 C ATOM 94 CD1 LEU A 637 19.445 -33.416 2.136 1.00 35.14 C ATOM 95 CD2 LEU A 637 20.879 -32.235 0.467 1.00 36.93 C ATOM 96 H LEU A 637 23.645 -33.148 2.871 1.00 0.00 H ATOM 97 N ARG A 638 23.424 -30.488 4.856 1.00 39.05 N ATOM 98 CA ARG A 638 23.666 -29.479 5.883 1.00 41.53 C ATOM 99 C ARG A 638 24.547 -28.368 5.342 1.00 41.03 C ATOM 100 O ARG A 638 24.235 -27.181 5.495 1.00 45.51 O ATOM 101 CB ARG A 638 24.313 -30.110 7.119 1.00 47.53 C ATOM 102 CG ARG A 638 23.363 -30.988 7.908 1.00 50.91 C ATOM 103 CD ARG A 638 24.005 -31.558 9.164 1.00 59.05 C ATOM 104 NE ARG A 638 23.151 -32.581 9.763 1.00 63.15 N ATOM 105 CZ ARG A 638 23.365 -33.891 9.666 1.00 66.06 C ATOM 106 NH1 ARG A 638 24.420 -34.351 9.008 1.00 67.30 N ATOM 107 NH2 ARG A 638 22.525 -34.744 10.236 1.00 66.33 N ATOM 108 HE ARG A 638 22.320 -32.264 10.302 1.00 0.00 H ATOM 109 HH12 ARG A 638 24.582 -35.376 8.936 1.00 0.00 H ATOM 110 HH11 ARG A 638 25.086 -33.687 8.564 1.00 0.00 H ATOM 111 HH22 ARG A 638 22.692 -35.768 10.160 1.00 0.00 H ATOM 112 HH21 ARG A 638 21.699 -34.389 10.759 1.00 0.00 H ATOM 113 H ARG A 638 23.748 -31.466 5.002 1.00 0.00 H ATOM 114 N LYS A 639 25.654 -28.746 4.699 1.00 40.62 N ATOM 115 CA LYS A 639 26.555 -27.774 4.090 1.00 45.07 C ATOM 116 C LYS A 639 25.851 -26.951 3.019 1.00 45.48 C ATOM 117 O LYS A 639 26.059 -25.731 2.923 1.00 45.44 O ATOM 118 CB LYS A 639 27.753 -28.503 3.491 1.00 48.09 C ATOM 119 CG LYS A 639 28.742 -27.597 2.782 1.00 50.31 C ATOM 120 CD LYS A 639 29.684 -28.389 1.893 1.00 57.00 C ATOM 121 CE LYS A 639 30.675 -27.458 1.210 1.00 68.76 C ATOM 122 NZ LYS A 639 31.490 -28.155 0.180 1.00 73.88 N ATOM 123 HZ1 LYS A 639 32.027 -28.925 0.627 1.00 0.00 H ATOM 124 HZ2 LYS A 639 30.862 -28.548 -0.550 1.00 0.00 H ATOM 125 HZ3 LYS A 639 32.149 -27.478 -0.255 1.00 0.00 H ATOM 126 H LYS A 639 25.880 -29.759 4.631 1.00 0.00 H ATOM 127 N THR A 640 25.048 -27.610 2.177 1.00 41.08 N ATOM 128 CA THR A 640 24.335 -26.907 1.116 1.00 34.31 C ATOM 129 C THR A 640 23.347 -25.903 1.688 1.00 38.12 C ATOM 130 O THR A 640 23.235 -24.774 1.188 1.00 38.72 O ATOM 131 CB THR A 640 23.611 -27.908 0.215 1.00 35.63 C ATOM 132 OG1 THR A 640 24.540 -28.902 -0.237 1.00 38.11 O ATOM 133 CG2 THR A 640 22.999 -27.189 -0.993 1.00 35.02 C ATOM 134 HG1 THR A 640 24.921 -29.376 0.544 1.00 0.00 H ATOM 135 H THR A 640 24.930 -28.638 2.280 1.00 0.00 H ATOM 136 N LEU A 641 22.613 -26.298 2.731 1.00 36.35 N ATOM 137 CA LEU A 641 21.665 -25.382 3.356 1.00 32.86 C ATOM 138 C LEU A 641 22.400 -24.182 3.943 1.00 38.64 C ATOM 139 O LEU A 641 21.942 -23.039 3.814 1.00 43.60 O ATOM 140 CB LEU A 641 20.854 -26.124 4.428 1.00 41.25 C ATOM 141 CG LEU A 641 19.666 -25.399 5.063 1.00 41.84 C ATOM 142 CD1 LEU A 641 18.682 -24.927 4.001 1.00 41.83 C ATOM 143 CD2 LEU A 641 18.963 -26.298 6.079 1.00 40.40 C ATOM 144 H LEU A 641 22.718 -27.265 3.100 1.00 0.00 H ATOM 145 N GLU A 642 23.561 -24.416 4.555 1.00 40.71 N ATOM 146 CA GLU A 642 24.360 -23.299 5.057 1.00 45.00 C ATOM 147 C GLU A 642 24.771 -22.367 3.924 1.00 44.25 C ATOM 148 O GLU A 642 24.751 -21.139 4.084 1.00 44.15 O ATOM 149 CB GLU A 642 25.589 -23.811 5.807 1.00 49.86 C ATOM 150 CG GLU A 642 25.295 -24.273 7.230 1.00 59.51 C ATOM 151 CD GLU A 642 26.455 -25.027 7.863 1.00 74.52 C ATOM 152 OE1 GLU A 642 27.594 -24.910 7.363 1.00 74.85 O ATOM 153 OE2 GLU A 642 26.221 -25.746 8.862 1.00 82.76 O ATOM 154 H GLU A 642 23.898 -25.392 4.675 1.00 0.00 H ATOM 155 N GLN A 643 25.130 -22.930 2.763 1.00 41.51 N ATOM 156 CA GLN A 643 25.562 -22.094 1.642 1.00 41.87 C ATOM 157 C GLN A 643 24.403 -21.283 1.089 1.00 36.63 C ATOM 158 O GLN A 643 24.573 -20.119 0.692 1.00 37.55 O ATOM 159 CB GLN A 643 26.183 -22.963 0.548 1.00 39.88 C ATOM 160 CG GLN A 643 27.473 -23.630 1.008 1.00 40.50 C ATOM 161 CD GLN A 643 28.095 -24.575 -0.009 1.00 49.90 C ATOM 162 OE1 GLN A 643 29.323 -24.651 -0.126 1.00 57.56 O ATOM 163 NE2 GLN A 643 27.264 -25.329 -0.712 1.00 43.35 N ATOM 164 HE22 GLN A 643 26.237 -25.232 -0.581 1.00 0.00 H ATOM 165 HE21 GLN A 643 27.638 -26.018 -1.395 1.00 0.00 H ATOM 166 H GLN A 643 25.102 -23.964 2.658 1.00 0.00 H ATOM 167 N LEU A 644 23.214 -21.885 1.051 1.00 33.91 N ATOM 168 CA LEU A 644 22.029 -21.156 0.622 1.00 31.67 C ATOM 169 C LEU A 644 21.688 -20.037 1.593 1.00 37.60 C ATOM 170 O LEU A 644 21.347 -18.928 1.168 1.00 38.95 O ATOM 171 CB LEU A 644 20.848 -22.112 0.485 1.00 33.80 C ATOM 172 CG LEU A 644 21.010 -23.147 -0.620 1.00 30.21 C ATOM 173 CD1 LEU A 644 19.877 -24.167 -0.513 1.00 29.50 C ATOM 174 CD2 LEU A 644 21.022 -22.493 -1.984 1.00 31.65 C ATOM 175 H LEU A 644 23.132 -22.884 1.330 1.00 0.00 H ATOM 176 N GLN A 645 21.744 -20.312 2.898 1.00 34.96 N ATOM 177 CA GLN A 645 21.500 -19.253 3.873 1.00 41.02 C ATOM 178 C GLN A 645 22.505 -18.120 3.731 1.00 40.55 C ATOM 179 O GLN A 645 22.158 -16.950 3.951 1.00 47.56 O ATOM 180 CB GLN A 645 21.538 -19.814 5.292 1.00 45.72 C ATOM 181 CG GLN A 645 20.406 -20.767 5.608 1.00 49.34 C ATOM 182 CD GLN A 645 19.790 -20.497 6.968 1.00 60.46 C ATOM 183 OE1 GLN A 645 19.598 -21.417 7.766 1.00 65.21 O ATOM 184 NE2 GLN A 645 19.463 -19.228 7.238 1.00 53.46 N ATOM 185 HE22 GLN A 645 19.643 -18.484 6.534 1.00 0.00 H ATOM 186 HE21 GLN A 645 19.029 -18.986 8.151 1.00 0.00 H ATOM 187 H GLN A 645 21.961 -21.277 3.219 1.00 0.00 H ATOM 188 N GLU A 646 23.748 -18.437 3.351 1.00 43.69 N ATOM 189 CA GLU A 646 24.759 -17.389 3.176 1.00 41.17 C ATOM 190 C GLU A 646 24.398 -16.432 2.052 1.00 41.61 C ATOM 191 O GLU A 646 24.819 -15.264 2.071 1.00 41.63 O ATOM 192 CB GLU A 646 26.123 -18.004 2.883 1.00 47.44 C ATOM 193 CG GLU A 646 26.790 -18.670 4.057 1.00 63.19 C ATOM 194 CD GLU A 646 28.203 -19.097 3.728 1.00 78.12 C ATOM 195 OE1 GLU A 646 28.844 -18.417 2.894 1.00 85.55 O ATOM 196 OE2 GLU A 646 28.668 -20.110 4.294 1.00 81.87 O ATOM 197 H GLU A 646 23.999 -19.432 3.179 1.00 0.00 H ATOM 198 N LYS A 647 23.676 -16.916 1.041 1.00 41.95 N ATOM 199 CA LYS A 647 23.263 -16.055 -0.060 1.00 37.79 C ATOM 200 C LYS A 647 22.147 -15.116 0.353 1.00 40.58 C ATOM 201 O LYS A 647 21.946 -14.082 -0.293 1.00 41.47 O ATOM 202 CB LYS A 647 22.822 -16.907 -1.251 1.00 40.73 C ATOM 203 CG LYS A 647 23.909 -17.824 -1.777 1.00 37.67 C ATOM 204 CD LYS A 647 25.057 -17.044 -2.396 1.00 42.51 C ATOM 205 CE LYS A 647 26.100 -17.993 -2.940 1.00 46.80 C ATOM 206 NZ LYS A 647 27.283 -17.269 -3.435 1.00 46.14 N ATOM 207 HZ1 LYS A 647 26.998 -16.621 -4.197 1.00 0.00 H ATOM 208 HZ2 LYS A 647 27.706 -16.725 -2.656 1.00 0.00 H ATOM 209 HZ3 LYS A 647 27.978 -17.951 -3.801 1.00 0.00 H ATOM 210 H LYS A 647 23.404 -17.920 1.038 1.00 0.00 H ATOM 211 N ASP A 648 21.420 -15.461 1.414 1.00 39.33 N ATOM 212 CA ASP A 648 20.320 -14.653 1.930 1.00 37.67 C ATOM 213 C ASP A 648 20.936 -13.733 2.978 1.00 39.68 C ATOM 214 O ASP A 648 20.853 -13.948 4.189 1.00 46.11 O ATOM 215 CB ASP A 648 19.219 -15.556 2.487 1.00 38.77 C ATOM 216 CG ASP A 648 18.108 -14.786 3.194 1.00 46.88 C ATOM 217 OD1 ASP A 648 17.930 -13.576 2.929 1.00 39.39 O ATOM 218 OD2 ASP A 648 17.404 -15.410 4.022 1.00 43.33 O ATOM 219 H ASP A 648 21.648 -16.352 1.900 1.00 0.00 H ATOM 220 N THR A 649 21.614 -12.696 2.480 1.00 40.63 N ATOM 221 CA THR A 649 22.409 -11.853 3.365 1.00 44.86 C ATOM 222 C THR A 649 21.528 -11.009 4.274 1.00 48.73 C ATOM 223 O THR A 649 21.913 -10.721 5.415 1.00 53.03 O ATOM 224 CB THR A 649 23.331 -10.967 2.540 1.00 46.66 C ATOM 225 OG1 THR A 649 22.535 -10.105 1.720 1.00 46.98 O ATOM 226 CG2 THR A 649 24.215 -11.827 1.651 1.00 42.68 C ATOM 227 HG1 THR A 649 23.128 -9.525 1.180 1.00 0.00 H ATOM 228 H THR A 649 21.575 -12.490 1.461 1.00 0.00 H ATOM 229 N GLY A 650 20.348 -10.616 3.794 1.00 46.06 N ATOM 230 CA GLY A 650 19.381 -9.954 4.645 1.00 45.69 C ATOM 231 C GLY A 650 18.737 -10.855 5.671 1.00 50.23 C ATOM 232 O GLY A 650 18.018 -10.353 6.541 1.00 49.96 O ATOM 233 H GLY A 650 20.119 -10.787 2.794 1.00 0.00 H ATOM 234 N ASN A 651 18.981 -12.169 5.590 1.00 40.90 N ATOM 235 CA ASN A 651 18.337 -13.156 6.454 1.00 49.42 C ATOM 236 C ASN A 651 16.817 -12.990 6.453 1.00 52.26 C ATOM 237 O ASN A 651 16.145 -13.174 7.470 1.00 61.40 O ATOM 238 CB ASN A 651 18.900 -13.099 7.877 1.00 56.00 C ATOM 239 CG ASN A 651 20.260 -13.777 7.998 1.00 59.39 C ATOM 240 OD1 ASN A 651 20.659 -14.563 7.133 1.00 63.91 O ATOM 241 ND2 ASN A 651 20.969 -13.485 9.081 1.00 68.00 N ATOM 242 HD22 ASN A 651 20.593 -12.817 9.784 1.00 0.00 H ATOM 243 HD21 ASN A 651 21.900 -13.924 9.227 1.00 0.00 H ATOM 244 H ASN A 651 19.661 -12.503 4.878 1.00 0.00 H ATOM 245 N ILE A 652 16.253 -12.649 5.289 1.00 50.14 N ATOM 246 CA ILE A 652 14.812 -12.436 5.222 1.00 49.48 C ATOM 247 C ILE A 652 14.058 -13.723 4.960 1.00 41.84 C ATOM 248 O ILE A 652 12.820 -13.714 4.949 1.00 47.87 O ATOM 249 CB ILE A 652 14.428 -11.375 4.173 1.00 51.68 C ATOM 250 CG1 ILE A 652 14.425 -11.958 2.775 1.00 47.27 C ATOM 251 CG2 ILE A 652 15.361 -10.161 4.251 1.00 52.16 C ATOM 252 CD1 ILE A 652 13.297 -11.406 1.947 1.00 49.28 C ATOM 253 H ILE A 652 16.839 -12.536 4.437 1.00 0.00 H ATOM 254 N PHE A 653 14.766 -14.831 4.745 1.00 38.98 N ATOM 255 CA PHE A 653 14.166 -16.145 4.561 1.00 34.60 C ATOM 256 C PHE A 653 14.590 -17.113 5.657 1.00 39.23 C ATOM 257 O PHE A 653 14.384 -18.326 5.519 1.00 39.19 O ATOM 258 CB PHE A 653 14.555 -16.711 3.194 1.00 39.01 C ATOM 259 CG PHE A 653 14.171 -15.833 2.041 1.00 35.84 C ATOM 260 CD1 PHE A 653 12.836 -15.629 1.727 1.00 36.81 C ATOM 261 CD2 PHE A 653 15.140 -15.230 1.260 1.00 37.21 C ATOM 262 CE1 PHE A 653 12.475 -14.824 0.666 1.00 36.70 C ATOM 263 CE2 PHE A 653 14.783 -14.420 0.195 1.00 39.89 C ATOM 264 CZ PHE A 653 13.450 -14.234 -0.110 1.00 34.24 C ATOM 265 H PHE A 653 15.802 -14.753 4.707 1.00 0.00 H ATOM 266 N SER A 654 15.189 -16.609 6.735 1.00 44.72 N ATOM 267 CA SER A 654 15.731 -17.505 7.746 1.00 46.05 C ATOM 268 C SER A 654 14.659 -18.103 8.646 1.00 49.42 C ATOM 269 O SER A 654 14.887 -19.171 9.226 1.00 48.56 O ATOM 270 CB SER A 654 16.774 -16.775 8.591 1.00 49.89 C ATOM 271 OG SER A 654 17.926 -16.487 7.820 1.00 48.05 O ATOM 272 HG SER A 654 18.318 -17.332 7.486 1.00 0.00 H ATOM 273 H SER A 654 15.269 -15.579 6.854 1.00 0.00 H ATOM 274 N GLU A 655 13.503 -17.462 8.770 1.00 47.07 N ATOM 275 CA GLU A 655 12.447 -17.897 9.672 1.00 51.84 C ATOM 276 C GLU A 655 11.106 -17.802 8.957 1.00 49.33 C ATOM 277 O GLU A 655 10.994 -17.123 7.932 1.00 46.79 O ATOM 278 CB GLU A 655 12.443 -17.041 10.947 1.00 60.79 C ATOM 279 CG GLU A 655 13.747 -17.116 11.727 1.00 68.50 C ATOM 280 CD GLU A 655 13.708 -16.330 13.023 1.00 78.97 C ATOM 281 OE1 GLU A 655 12.929 -15.357 13.109 1.00 83.03 O ATOM 282 OE2 GLU A 655 14.456 -16.691 13.957 1.00 83.33 O ATOM 283 H GLU A 655 13.345 -16.609 8.196 1.00 0.00 H ATOM 284 N PRO A 656 10.076 -18.491 9.462 1.00 53.19 N ATOM 285 CA PRO A 656 8.755 -18.392 8.824 1.00 48.61 C ATOM 286 C PRO A 656 8.276 -16.948 8.740 1.00 50.84 C ATOM 287 O PRO A 656 8.595 -16.113 9.589 1.00 55.27 O ATOM 288 CB PRO A 656 7.849 -19.221 9.746 1.00 51.58 C ATOM 289 CG PRO A 656 8.765 -20.166 10.443 1.00 53.59 C ATOM 290 CD PRO A 656 10.091 -19.467 10.567 1.00 51.87 C ATOM 291 N VAL A 657 7.505 -16.659 7.695 1.00 51.28 N ATOM 292 CA VAL A 657 6.893 -15.339 7.536 1.00 56.77 C ATOM 293 C VAL A 657 5.956 -15.098 8.714 1.00 60.90 C ATOM 294 O VAL A 657 5.013 -15.877 8.917 1.00 67.49 O ATOM 295 CB VAL A 657 6.142 -15.218 6.200 1.00 54.20 C ATOM 296 CG1 VAL A 657 5.500 -13.845 6.077 1.00 54.36 C ATOM 297 CG2 VAL A 657 7.081 -15.489 5.020 1.00 46.25 C ATOM 298 H VAL A 657 7.333 -17.388 6.974 1.00 0.00 H ATOM 299 N PRO A 658 6.167 -14.042 9.512 1.00 63.06 N ATOM 300 CA PRO A 658 5.335 -13.841 10.709 1.00 70.04 C ATOM 301 C PRO A 658 3.897 -13.479 10.377 1.00 71.74 C ATOM 302 O PRO A 658 3.598 -12.330 10.033 1.00 72.72 O ATOM 303 CB PRO A 658 6.046 -12.696 11.442 1.00 69.40 C ATOM 304 CG PRO A 658 6.755 -11.948 10.368 1.00 68.00 C ATOM 305 CD PRO A 658 7.174 -12.979 9.352 1.00 62.00 C ATOM 306 N LEU A 659 3.000 -14.462 10.487 1.00 69.40 N ATOM 307 CA LEU A 659 1.595 -14.240 10.167 1.00 74.22 C ATOM 308 C LEU A 659 0.971 -13.154 11.034 1.00 79.39 C ATOM 309 O LEU A 659 -0.028 -12.550 10.629 1.00 81.96 O ATOM 310 CB LEU A 659 0.815 -15.550 10.313 1.00 76.36 C ATOM 311 CG LEU A 659 1.326 -16.748 9.501 1.00 73.05 C ATOM 312 CD1 LEU A 659 0.621 -18.029 9.908 1.00 74.11 C ATOM 313 CD2 LEU A 659 1.170 -16.514 8.003 1.00 72.59 C ATOM 314 H LEU A 659 3.309 -15.402 10.806 1.00 0.00 H ATOM 315 N SER A 660 1.541 -12.886 12.212 1.00 80.32 N ATOM 316 CA SER A 660 1.056 -11.796 13.050 1.00 83.63 C ATOM 317 C SER A 660 1.329 -10.429 12.436 1.00 81.63 C ATOM 318 O SER A 660 0.618 -9.469 12.751 1.00 82.07 O ATOM 319 CB SER A 660 1.689 -11.888 14.441 1.00 86.41 C ATOM 320 OG SER A 660 3.025 -12.356 14.363 1.00 85.26 O ATOM 321 HG SER A 660 3.410 -12.406 15.274 1.00 0.00 H ATOM 322 H SER A 660 2.343 -13.464 12.536 1.00 0.00 H ATOM 323 N GLU A 661 2.339 -10.323 11.573 1.00 79.15 N ATOM 324 CA GLU A 661 2.621 -9.091 10.851 1.00 81.24 C ATOM 325 C GLU A 661 2.124 -9.119 9.414 1.00 78.24 C ATOM 326 O GLU A 661 1.953 -8.054 8.810 1.00 78.73 O ATOM 327 CB GLU A 661 4.128 -8.807 10.849 1.00 82.94 C ATOM 328 CG GLU A 661 4.754 -8.756 12.231 1.00 90.75 C ATOM 329 CD GLU A 661 6.260 -8.578 12.177 1.00 92.53 C ATOM 330 OE1 GLU A 661 6.791 -8.295 11.079 1.00 89.84 O ATOM 331 OE2 GLU A 661 6.912 -8.725 13.233 1.00 95.96 O ATOM 332 H GLU A 661 2.948 -11.150 11.410 1.00 0.00 H ATOM 333 N VAL A 662 1.895 -10.304 8.859 1.00 78.26 N ATOM 334 CA VAL A 662 1.370 -10.465 7.507 1.00 73.28 C ATOM 335 C VAL A 662 0.103 -11.310 7.608 1.00 72.27 C ATOM 336 O VAL A 662 0.110 -12.488 7.222 1.00 71.14 O ATOM 337 CB VAL A 662 2.425 -11.096 6.582 1.00 70.91 C ATOM 338 CG1 VAL A 662 1.933 -11.156 5.153 1.00 67.16 C ATOM 339 CG2 VAL A 662 3.732 -10.310 6.661 1.00 69.37 C ATOM 340 H VAL A 662 2.100 -11.159 9.415 1.00 0.00 H ATOM 341 N PRO A 663 -1.002 -10.760 8.130 1.00 71.81 N ATOM 342 CA PRO A 663 -2.172 -11.600 8.441 1.00 71.92 C ATOM 343 C PRO A 663 -2.874 -12.196 7.228 1.00 71.81 C ATOM 344 O PRO A 663 -3.729 -13.072 7.412 1.00 73.14 O ATOM 345 CB PRO A 663 -3.104 -10.636 9.195 1.00 76.84 C ATOM 346 CG PRO A 663 -2.205 -9.560 9.713 1.00 75.74 C ATOM 347 CD PRO A 663 -1.166 -9.390 8.642 1.00 73.12 C ATOM 348 N ASP A 664 -2.560 -11.765 6.008 1.00 71.17 N ATOM 349 CA ASP A 664 -3.190 -12.310 4.812 1.00 72.91 C ATOM 350 C ASP A 664 -2.293 -13.300 4.077 1.00 67.53 C ATOM 351 O ASP A 664 -2.641 -13.740 2.975 1.00 64.68 O ATOM 352 CB ASP A 664 -3.606 -11.176 3.871 1.00 76.10 C ATOM 353 CG ASP A 664 -2.418 -10.409 3.316 1.00 75.67 C ATOM 354 OD1 ASP A 664 -1.342 -10.427 3.951 1.00 76.95 O ATOM 355 OD2 ASP A 664 -2.561 -9.784 2.244 1.00 73.90 O ATOM 356 H ASP A 664 -1.844 -11.018 5.905 1.00 0.00 H ATOM 357 N TYR A 665 -1.162 -13.678 4.678 1.00 68.15 N ATOM 358 CA TYR A 665 -0.156 -14.456 3.963 1.00 61.65 C ATOM 359 C TYR A 665 -0.696 -15.811 3.520 1.00 65.32 C ATOM 360 O TYR A 665 -0.459 -16.240 2.384 1.00 61.83 O ATOM 361 CB TYR A 665 1.081 -14.635 4.839 1.00 61.24 C ATOM 362 CG TYR A 665 2.262 -15.214 4.096 1.00 57.70 C ATOM 363 CD1 TYR A 665 3.060 -14.409 3.292 1.00 55.47 C ATOM 364 CD2 TYR A 665 2.574 -16.564 4.189 1.00 54.78 C ATOM 365 CE1 TYR A 665 4.138 -14.933 2.605 1.00 50.21 C ATOM 366 CE2 TYR A 665 3.659 -17.097 3.506 1.00 50.93 C ATOM 367 CZ TYR A 665 4.433 -16.274 2.715 1.00 49.28 C ATOM 368 OH TYR A 665 5.511 -16.793 2.030 1.00 47.11 O ATOM 369 HH TYR A 665 5.952 -16.071 1.516 1.00 0.00 H ATOM 370 H TYR A 665 -0.996 -13.414 5.670 1.00 0.00 H ATOM 371 N LEU A 666 -1.425 -16.498 4.395 1.00 65.90 N ATOM 372 CA LEU A 666 -1.903 -17.837 4.078 1.00 69.46 C ATOM 373 C LEU A 666 -3.104 -17.845 3.139 1.00 72.93 C ATOM 374 O LEU A 666 -3.633 -18.925 2.856 1.00 75.55 O ATOM 375 CB LEU A 666 -2.255 -18.595 5.363 1.00 71.41 C ATOM 376 CG LEU A 666 -1.077 -19.170 6.150 1.00 68.67 C ATOM 377 CD1 LEU A 666 -1.504 -20.396 6.937 1.00 70.80 C ATOM 378 CD2 LEU A 666 0.059 -19.509 5.216 1.00 67.11 C ATOM 379 H LEU A 666 -1.656 -16.074 5.316 1.00 0.00 H ATOM 380 N ASP A 667 -3.543 -16.686 2.641 1.00 72.61 N ATOM 381 CA ASP A 667 -4.697 -16.668 1.747 1.00 74.17 C ATOM 382 C ASP A 667 -4.395 -17.374 0.430 1.00 70.96 C ATOM 383 O ASP A 667 -5.236 -18.124 -0.081 1.00 71.42 O ATOM 384 CB ASP A 667 -5.151 -15.230 1.499 1.00 79.13 C ATOM 385 CG ASP A 667 -5.918 -14.654 2.670 1.00 86.00 C ATOM 386 OD1 ASP A 667 -5.660 -15.083 3.814 1.00 87.78 O ATOM 387 OD2 ASP A 667 -6.781 -13.776 2.447 1.00 91.36 O ATOM 388 H ASP A 667 -3.063 -15.797 2.890 1.00 0.00 H ATOM 389 N HIS A 668 -3.201 -17.154 -0.134 1.00 68.14 N ATOM 390 CA HIS A 668 -2.803 -17.791 -1.383 1.00 68.10 C ATOM 391 C HIS A 668 -1.466 -18.518 -1.306 1.00 64.96 C ATOM 392 O HIS A 668 -1.016 -19.060 -2.326 1.00 61.35 O ATOM 393 CB HIS A 668 -2.756 -16.762 -2.524 1.00 72.71 C ATOM 394 CG HIS A 668 -4.107 -16.290 -2.963 1.00 80.75 C ATOM 395 ND1 HIS A 668 -4.684 -15.133 -2.485 1.00 85.06 N ATOM 396 CD2 HIS A 668 -5.002 -16.828 -3.826 1.00 84.54 C ATOM 397 CE1 HIS A 668 -5.874 -14.975 -3.039 1.00 88.92 C ATOM 398 NE2 HIS A 668 -6.091 -15.990 -3.856 1.00 89.10 N ATOM 399 H HIS A 668 -2.535 -16.507 0.335 1.00 0.00 H ATOM 400 N ILE A 669 -0.820 -18.545 -0.144 1.00 65.37 N ATOM 401 CA ILE A 669 0.376 -19.351 0.080 1.00 58.34 C ATOM 402 C ILE A 669 -0.065 -20.618 0.798 1.00 57.98 C ATOM 403 O ILE A 669 -0.382 -20.585 1.991 1.00 59.17 O ATOM 404 CB ILE A 669 1.435 -18.599 0.895 1.00 55.56 C ATOM 405 CG1 ILE A 669 1.737 -17.230 0.273 1.00 50.09 C ATOM 406 CG2 ILE A 669 2.700 -19.438 1.004 1.00 53.73 C ATOM 407 CD1 ILE A 669 2.154 -17.298 -1.175 1.00 52.83 C ATOM 408 H ILE A 669 -1.183 -17.966 0.640 1.00 0.00 H ATOM 409 N LYS A 670 -0.078 -21.741 0.082 1.00 55.86 N ATOM 410 CA LYS A 670 -0.605 -22.980 0.643 1.00 62.37 C ATOM 411 C LYS A 670 0.435 -23.784 1.414 1.00 58.27 C ATOM 412 O LYS A 670 0.059 -24.649 2.211 1.00 61.74 O ATOM 413 CB LYS A 670 -1.220 -23.846 -0.465 1.00 66.91 C ATOM 414 CG LYS A 670 -0.362 -23.984 -1.710 1.00 68.83 C ATOM 415 H LYS A 670 0.292 -21.734 -0.890 1.00 0.00 H ATOM 416 N LYS A 671 1.725 -23.524 1.216 1.00 53.17 N ATOM 417 CA LYS A 671 2.773 -24.174 2.001 1.00 48.66 C ATOM 418 C LYS A 671 3.906 -23.189 2.229 1.00 45.75 C ATOM 419 O LYS A 671 4.823 -23.074 1.406 1.00 44.46 O ATOM 420 CB LYS A 671 3.298 -25.438 1.318 1.00 53.09 C ATOM 421 CG LYS A 671 4.302 -26.211 2.183 1.00 60.83 C ATOM 422 CD LYS A 671 4.770 -27.502 1.515 1.00 61.67 C ATOM 423 CE LYS A 671 5.806 -28.225 2.371 1.00 67.12 C ATOM 424 NZ LYS A 671 6.485 -29.332 1.639 1.00 69.39 N ATOM 425 HZ1 LYS A 671 5.777 -30.031 1.336 1.00 0.00 H ATOM 426 HZ2 LYS A 671 6.973 -28.947 0.805 1.00 0.00 H ATOM 427 HZ3 LYS A 671 7.177 -29.788 2.267 1.00 0.00 H ATOM 428 H LYS A 671 1.995 -22.839 0.482 1.00 0.00 H ATOM 429 N PRO A 672 3.886 -22.472 3.350 1.00 50.51 N ATOM 430 CA PRO A 672 5.027 -21.622 3.694 1.00 47.54 C ATOM 431 C PRO A 672 6.278 -22.463 3.863 1.00 45.30 C ATOM 432 O PRO A 672 6.224 -23.660 4.156 1.00 43.84 O ATOM 433 CB PRO A 672 4.611 -20.977 5.023 1.00 54.70 C ATOM 434 CG PRO A 672 3.137 -21.151 5.097 1.00 57.03 C ATOM 435 CD PRO A 672 2.832 -22.429 4.377 1.00 54.50 C ATOM 436 N MET A 673 7.424 -21.818 3.663 1.00 43.45 N ATOM 437 CA MET A 673 8.696 -22.498 3.843 1.00 41.01 C ATOM 438 C MET A 673 9.763 -21.450 4.134 1.00 38.25 C ATOM 439 O MET A 673 9.630 -20.281 3.752 1.00 39.73 O ATOM 440 CB MET A 673 9.046 -23.346 2.610 1.00 36.42 C ATOM 441 CG MET A 673 10.283 -24.213 2.735 1.00 34.59 C ATOM 442 SD MET A 673 10.274 -25.283 4.181 1.00 39.33 S ATOM 443 CE MET A 673 8.758 -26.199 3.895 1.00 45.66 C ATOM 444 H MET A 673 7.410 -20.819 3.375 1.00 0.00 H ATOM 445 N ASP A 674 10.802 -21.880 4.843 1.00 43.34 N ATOM 446 CA ASP A 674 11.909 -21.022 5.238 1.00 38.72 C ATOM 447 C ASP A 674 13.094 -21.910 5.587 1.00 41.16 C ATOM 448 O ASP A 674 12.981 -23.136 5.647 1.00 36.61 O ATOM 449 CB ASP A 674 11.534 -20.127 6.419 1.00 45.71 C ATOM 450 CG ASP A 674 11.186 -20.919 7.645 1.00 48.68 C ATOM 451 OD1 ASP A 674 10.000 -21.279 7.790 1.00 53.12 O ATOM 452 OD2 ASP A 674 12.096 -21.196 8.450 1.00 45.31 O ATOM 453 H ASP A 674 10.825 -22.879 5.130 1.00 0.00 H ATOM 454 N PHE A 675 14.243 -21.277 5.813 1.00 39.80 N ATOM 455 CA PHE A 675 15.458 -22.052 6.051 1.00 39.79 C ATOM 456 C PHE A 675 15.433 -22.752 7.402 1.00 42.08 C ATOM 457 O PHE A 675 15.950 -23.868 7.532 1.00 45.25 O ATOM 458 CB PHE A 675 16.680 -21.150 5.951 1.00 36.86 C ATOM 459 CG PHE A 675 17.028 -20.759 4.546 1.00 36.38 C ATOM 460 CD1 PHE A 675 17.093 -21.708 3.547 1.00 35.23 C ATOM 461 CD2 PHE A 675 17.294 -19.438 4.223 1.00 38.29 C ATOM 462 CE1 PHE A 675 17.420 -21.353 2.248 1.00 34.70 C ATOM 463 CE2 PHE A 675 17.624 -19.078 2.930 1.00 38.67 C ATOM 464 CZ PHE A 675 17.684 -20.032 1.940 1.00 35.77 C ATOM 465 H PHE A 675 14.275 -20.238 5.820 1.00 0.00 H ATOM 466 N PHE A 676 14.869 -22.108 8.428 1.00 41.91 N ATOM 467 CA PHE A 676 14.795 -22.755 9.734 1.00 49.31 C ATOM 468 C PHE A 676 14.002 -24.051 9.650 1.00 49.04 C ATOM 469 O PHE A 676 14.443 -25.096 10.142 1.00 48.86 O ATOM 470 CB PHE A 676 14.182 -21.808 10.766 1.00 54.14 C ATOM 471 CG PHE A 676 14.139 -22.376 12.152 1.00 58.64 C ATOM 472 CD1 PHE A 676 15.264 -22.349 12.962 1.00 63.01 C ATOM 473 CD2 PHE A 676 12.973 -22.935 12.648 1.00 60.65 C ATOM 474 CE1 PHE A 676 15.228 -22.875 14.238 1.00 68.81 C ATOM 475 CE2 PHE A 676 12.930 -23.462 13.928 1.00 64.83 C ATOM 476 CZ PHE A 676 14.060 -23.433 14.721 1.00 68.56 C ATOM 477 H PHE A 676 14.485 -21.151 8.297 1.00 0.00 H ATOM 478 N THR A 677 12.830 -24.008 9.012 1.00 45.81 N ATOM 479 CA THR A 677 12.042 -25.228 8.869 1.00 50.12 C ATOM 480 C THR A 677 12.759 -26.244 7.989 1.00 46.83 C ATOM 481 O THR A 677 12.685 -27.447 8.249 1.00 42.40 O ATOM 482 CB THR A 677 10.658 -24.913 8.303 1.00 51.33 C ATOM 483 OG1 THR A 677 10.787 -24.373 6.985 1.00 64.98 O ATOM 484 CG2 THR A 677 9.948 -23.910 9.176 1.00 42.12 C ATOM 485 HG1 THR A 677 11.324 -23.542 7.021 1.00 0.00 H ATOM 486 H THR A 677 12.481 -23.111 8.619 1.00 0.00 H ATOM 487 N MET A 678 13.453 -25.787 6.941 1.00 43.45 N ATOM 488 CA MET A 678 14.230 -26.724 6.133 1.00 42.04 C ATOM 489 C MET A 678 15.240 -27.468 6.995 1.00 44.32 C ATOM 490 O MET A 678 15.460 -28.673 6.816 1.00 42.08 O ATOM 491 CB MET A 678 14.935 -25.995 4.986 1.00 32.62 C ATOM 492 CG MET A 678 14.023 -25.578 3.837 1.00 32.96 C ATOM 493 SD MET A 678 14.971 -25.126 2.366 1.00 35.32 S ATOM 494 CE MET A 678 15.748 -26.701 1.973 1.00 38.83 C ATOM 495 H MET A 678 13.440 -24.775 6.704 1.00 0.00 H ATOM 496 N LYS A 679 15.851 -26.766 7.952 1.00 42.33 N ATOM 497 CA LYS A 679 16.787 -27.419 8.860 1.00 47.58 C ATOM 498 C LYS A 679 16.073 -28.449 9.727 1.00 48.79 C ATOM 499 O LYS A 679 16.586 -29.555 9.941 1.00 52.33 O ATOM 500 CB LYS A 679 17.499 -26.375 9.724 1.00 46.12 C ATOM 501 CG LYS A 679 18.560 -26.946 10.669 1.00 53.68 C ATOM 502 CD LYS A 679 19.640 -27.702 9.905 1.00 54.61 C ATOM 503 CE LYS A 679 20.955 -27.753 10.676 1.00 60.46 C ATOM 504 NZ LYS A 679 20.833 -28.478 11.963 1.00 66.79 N ATOM 505 HZ1 LYS A 679 20.129 -28.002 12.562 1.00 0.00 H ATOM 506 HZ2 LYS A 679 20.531 -29.456 11.781 1.00 0.00 H ATOM 507 HZ3 LYS A 679 21.754 -28.483 12.445 1.00 0.00 H ATOM 508 H LYS A 679 15.659 -25.749 8.051 1.00 0.00 H ATOM 509 N GLN A 680 14.879 -28.112 10.224 1.00 48.52 N ATOM 510 CA GLN A 680 14.118 -29.071 11.021 1.00 51.00 C ATOM 511 C GLN A 680 13.727 -30.287 10.189 1.00 50.80 C ATOM 512 O GLN A 680 13.799 -31.426 10.668 1.00 50.46 O ATOM 513 CB GLN A 680 12.874 -28.401 11.609 1.00 55.12 C ATOM 514 CG GLN A 680 13.121 -27.028 12.226 1.00 57.25 C ATOM 515 CD GLN A 680 14.148 -27.054 13.341 1.00 63.04 C ATOM 516 OE1 GLN A 680 15.074 -26.243 13.364 1.00 66.88 O ATOM 517 NE2 GLN A 680 13.984 -27.979 14.277 1.00 68.59 N ATOM 518 HE22 GLN A 680 13.187 -28.644 14.217 1.00 0.00 H ATOM 519 HE21 GLN A 680 14.653 -28.040 15.071 1.00 0.00 H ATOM 520 H GLN A 680 14.491 -27.164 10.043 1.00 0.00 H ATOM 521 N ASN A 681 13.321 -30.066 8.936 1.00 50.45 N ATOM 522 CA ASN A 681 12.965 -31.183 8.066 1.00 50.12 C ATOM 523 C ASN A 681 14.183 -32.041 7.741 1.00 50.67 C ATOM 524 O ASN A 681 14.094 -33.278 7.735 1.00 48.63 O ATOM 525 CB ASN A 681 12.314 -30.662 6.784 1.00 46.15 C ATOM 526 CG ASN A 681 11.000 -29.963 7.047 1.00 49.15 C ATOM 527 OD1 ASN A 681 10.379 -30.170 8.087 1.00 55.56 O ATOM 528 ND2 ASN A 681 10.561 -29.147 6.104 1.00 45.13 N ATOM 529 HD22 ASN A 681 11.121 -29.002 5.240 1.00 0.00 H ATOM 530 HD21 ASN A 681 9.656 -28.650 6.227 1.00 0.00 H ATOM 531 H ASN A 681 13.258 -29.092 8.578 1.00 0.00 H ATOM 532 N LEU A 682 15.324 -31.403 7.455 1.00 43.45 N ATOM 533 CA LEU A 682 16.564 -32.141 7.229 1.00 45.96 C ATOM 534 C LEU A 682 16.846 -33.103 8.378 1.00 52.74 C ATOM 535 O LEU A 682 17.046 -34.306 8.164 1.00 51.92 O ATOM 536 CB LEU A 682 17.730 -31.161 7.041 1.00 43.77 C ATOM 537 CG LEU A 682 19.114 -31.649 6.564 1.00 43.84 C ATOM 538 CD1 LEU A 682 19.937 -30.474 6.040 1.00 44.13 C ATOM 539 CD2 LEU A 682 19.913 -32.373 7.636 1.00 46.81 C ATOM 540 H LEU A 682 15.328 -30.365 7.393 1.00 0.00 H ATOM 541 N GLU A 683 16.852 -32.587 9.611 1.00 50.60 N ATOM 542 CA GLU A 683 17.218 -33.399 10.765 1.00 55.76 C ATOM 543 C GLU A 683 16.136 -34.397 11.148 1.00 59.83 C ATOM 544 O GLU A 683 16.430 -35.368 11.860 1.00 60.53 O ATOM 545 CB GLU A 683 17.548 -32.501 11.956 1.00 58.64 C ATOM 546 CG GLU A 683 18.639 -31.484 11.685 1.00 58.76 C ATOM 547 CD GLU A 683 19.990 -32.113 11.355 1.00 60.29 C ATOM 548 OE1 GLU A 683 20.162 -33.337 11.551 1.00 54.64 O ATOM 549 OE2 GLU A 683 20.892 -31.374 10.904 1.00 57.62 O ATOM 550 H GLU A 683 16.591 -31.590 9.749 1.00 0.00 H ATOM 551 N ALA A 684 14.898 -34.181 10.709 1.00 57.69 N ATOM 552 CA ALA A 684 13.843 -35.176 10.860 1.00 59.97 C ATOM 553 C ALA A 684 13.884 -36.234 9.767 1.00 61.52 C ATOM 554 O ALA A 684 12.934 -37.017 9.650 1.00 67.33 O ATOM 555 CB ALA A 684 12.468 -34.499 10.874 1.00 54.52 C ATOM 556 H ALA A 684 14.677 -33.277 10.245 1.00 0.00 H ATOM 557 N TYR A 685 14.954 -36.259 8.968 1.00 56.52 N ATOM 558 CA TYR A 685 15.138 -37.234 7.893 1.00 55.30 C ATOM 559 C TYR A 685 14.054 -37.112 6.826 1.00 56.42 C ATOM 560 O TYR A 685 13.699 -38.094 6.169 1.00 64.87 O ATOM 561 CB TYR A 685 15.204 -38.662 8.447 1.00 50.30 C ATOM 562 CG TYR A 685 16.296 -38.829 9.473 1.00 59.07 C ATOM 563 CD1 TYR A 685 16.003 -38.885 10.832 1.00 69.76 C ATOM 564 CD2 TYR A 685 17.624 -38.914 9.087 1.00 59.39 C ATOM 565 CE1 TYR A 685 17.008 -39.030 11.777 1.00 72.89 C ATOM 566 CE2 TYR A 685 18.635 -39.060 10.022 1.00 67.84 C ATOM 567 CZ TYR A 685 18.324 -39.114 11.364 1.00 74.87 C ATOM 568 OH TYR A 685 19.337 -39.257 12.289 1.00 80.75 O ATOM 569 HH TYR A 685 18.950 -39.278 13.200 1.00 0.00 H ATOM 570 H TYR A 685 15.697 -35.547 9.118 1.00 0.00 H ATOM 571 N ARG A 686 13.528 -35.902 6.637 1.00 50.73 N ATOM 572 CA ARG A 686 12.485 -35.681 5.645 1.00 45.05 C ATOM 573 C ARG A 686 13.030 -35.436 4.245 1.00 48.44 C ATOM 574 O ARG A 686 12.246 -35.408 3.290 1.00 49.83 O ATOM 575 CB ARG A 686 11.590 -34.515 6.076 1.00 54.39 C ATOM 576 CG ARG A 686 11.084 -34.623 7.521 1.00 69.32 C ATOM 577 CD ARG A 686 9.579 -34.385 7.641 1.00 81.23 C ATOM 578 NE ARG A 686 9.095 -33.406 6.670 1.00 88.94 N ATOM 579 CZ ARG A 686 8.097 -33.624 5.817 1.00 95.13 C ATOM 580 NH1 ARG A 686 7.453 -34.785 5.823 1.00 97.58 N ATOM 581 NH2 ARG A 686 7.733 -32.672 4.966 1.00 96.46 N ATOM 582 HE ARG A 686 9.562 -32.477 6.644 1.00 0.00 H ATOM 583 HH12 ARG A 686 6.674 -34.951 5.155 1.00 0.00 H ATOM 584 HH11 ARG A 686 7.728 -35.529 6.496 1.00 0.00 H ATOM 585 HH22 ARG A 686 6.953 -32.841 4.299 1.00 0.00 H ATOM 586 HH21 ARG A 686 8.228 -31.757 4.967 1.00 0.00 H ATOM 587 H ARG A 686 13.868 -35.102 7.208 1.00 0.00 H ATOM 588 N TYR A 687 14.341 -35.246 4.097 1.00 45.57 N ATOM 589 CA TYR A 687 14.989 -35.061 2.797 1.00 40.24 C ATOM 590 C TYR A 687 15.922 -36.245 2.576 1.00 44.12 C ATOM 591 O TYR A 687 17.034 -36.268 3.112 1.00 45.01 O ATOM 592 CB TYR A 687 15.791 -33.763 2.734 1.00 38.15 C ATOM 593 CG TYR A 687 15.020 -32.501 2.979 1.00 38.16 C ATOM 594 CD1 TYR A 687 13.759 -32.320 2.447 1.00 40.01 C ATOM 595 CD2 TYR A 687 15.573 -31.469 3.736 1.00 41.64 C ATOM 596 CE1 TYR A 687 13.059 -31.158 2.666 1.00 39.82 C ATOM 597 CE2 TYR A 687 14.876 -30.310 3.967 1.00 36.11 C ATOM 598 CZ TYR A 687 13.618 -30.162 3.432 1.00 37.87 C ATOM 599 OH TYR A 687 12.894 -29.009 3.640 1.00 39.91 O ATOM 600 HH TYR A 687 12.019 -29.083 3.182 1.00 0.00 H ATOM 601 H TYR A 687 14.935 -35.228 4.950 1.00 0.00 H ATOM 602 N LEU A 688 15.485 -37.225 1.792 1.00 40.26 N ATOM 603 CA LEU A 688 16.287 -38.411 1.527 1.00 42.45 C ATOM 604 C LEU A 688 16.816 -38.434 0.099 1.00 41.19 C ATOM 605 O LEU A 688 17.504 -39.386 -0.287 1.00 44.25 O ATOM 606 CB LEU A 688 15.466 -39.676 1.820 1.00 40.74 C ATOM 607 CG LEU A 688 14.900 -39.750 3.250 1.00 42.21 C ATOM 608 CD1 LEU A 688 13.979 -40.959 3.444 1.00 44.68 C ATOM 609 CD2 LEU A 688 16.020 -39.775 4.284 1.00 46.83 C ATOM 610 H LEU A 688 14.544 -37.143 1.356 1.00 0.00 H ATOM 611 N ASN A 689 16.504 -37.413 -0.693 1.00 38.00 N ATOM 612 CA ASN A 689 17.049 -37.262 -2.032 1.00 37.19 C ATOM 613 C ASN A 689 17.184 -35.775 -2.305 1.00 36.96 C ATOM 614 O ASN A 689 16.622 -34.939 -1.591 1.00 38.75 O ATOM 615 CB ASN A 689 16.170 -37.947 -3.091 1.00 40.28 C ATOM 616 CG ASN A 689 14.725 -37.484 -3.045 1.00 38.85 C ATOM 617 OD1 ASN A 689 14.419 -36.340 -3.398 1.00 42.47 O ATOM 618 ND2 ASN A 689 13.826 -38.377 -2.642 1.00 47.96 N ATOM 619 HD22 ASN A 689 14.131 -39.329 -2.354 1.00 0.00 H ATOM 620 HD21 ASN A 689 12.818 -38.124 -2.615 1.00 0.00 H ATOM 621 H ASN A 689 15.843 -36.692 -0.340 1.00 0.00 H ATOM 622 N PHE A 690 17.950 -35.438 -3.339 1.00 34.86 N ATOM 623 CA PHE A 690 18.206 -34.023 -3.552 1.00 37.42 C ATOM 624 C PHE A 690 16.947 -33.286 -3.988 1.00 34.96 C ATOM 625 O PHE A 690 16.783 -32.102 -3.675 1.00 37.06 O ATOM 626 CB PHE A 690 19.330 -33.829 -4.565 1.00 42.69 C ATOM 627 CG PHE A 690 20.056 -32.536 -4.384 1.00 39.12 C ATOM 628 CD1 PHE A 690 21.052 -32.424 -3.431 1.00 38.39 C ATOM 629 CD2 PHE A 690 19.713 -31.426 -5.131 1.00 42.59 C ATOM 630 CE1 PHE A 690 21.715 -31.227 -3.242 1.00 40.01 C ATOM 631 CE2 PHE A 690 20.366 -30.231 -4.941 1.00 42.56 C ATOM 632 CZ PHE A 690 21.365 -30.139 -3.994 1.00 36.74 C ATOM 633 H PHE A 690 18.351 -36.160 -3.971 1.00 0.00 H ATOM 634 N ASP A 691 16.027 -33.978 -4.666 1.00 32.42 N ATOM 635 CA ASP A 691 14.843 -33.312 -5.182 1.00 33.89 C ATOM 636 C ASP A 691 13.951 -32.791 -4.064 1.00 39.42 C ATOM 637 O ASP A 691 13.396 -31.692 -4.176 1.00 40.22 O ATOM 638 CB ASP A 691 14.062 -34.252 -6.089 1.00 42.86 C ATOM 639 CG ASP A 691 14.650 -34.342 -7.475 1.00 54.72 C ATOM 640 OD1 ASP A 691 15.370 -33.406 -7.867 1.00 59.40 O ATOM 641 OD2 ASP A 691 14.371 -35.338 -8.179 1.00 63.05 O ATOM 642 H ASP A 691 16.159 -34.997 -4.825 1.00 0.00 H ATOM 643 N ASP A 692 13.781 -33.556 -2.987 1.00 35.19 N ATOM 644 CA ASP A 692 12.880 -33.073 -1.947 1.00 42.06 C ATOM 645 C ASP A 692 13.465 -31.893 -1.202 1.00 38.94 C ATOM 646 O ASP A 692 12.724 -31.015 -0.746 1.00 43.91 O ATOM 647 CB ASP A 692 12.558 -34.181 -0.982 1.00 41.47 C ATOM 648 CG ASP A 692 11.595 -35.178 -1.580 1.00 40.57 C ATOM 649 OD1 ASP A 692 10.683 -34.764 -2.341 1.00 48.01 O ATOM 650 OD2 ASP A 692 11.781 -36.359 -1.307 1.00 44.67 O ATOM 651 H ASP A 692 14.274 -34.467 -2.891 1.00 0.00 H ATOM 652 N PHE A 693 14.783 -31.873 -1.055 1.00 33.19 N ATOM 653 CA PHE A 693 15.460 -30.712 -0.482 1.00 31.57 C ATOM 654 C PHE A 693 15.297 -29.488 -1.378 1.00 36.44 C ATOM 655 O PHE A 693 14.882 -28.414 -0.920 1.00 30.33 O ATOM 656 CB PHE A 693 16.932 -31.073 -0.279 1.00 30.74 C ATOM 657 CG PHE A 693 17.802 -29.937 0.175 1.00 29.05 C ATOM 658 CD1 PHE A 693 18.526 -29.206 -0.747 1.00 29.14 C ATOM 659 CD2 PHE A 693 17.952 -29.659 1.527 1.00 30.53 C ATOM 660 CE1 PHE A 693 19.364 -28.153 -0.334 1.00 32.18 C ATOM 661 CE2 PHE A 693 18.795 -28.616 1.953 1.00 31.58 C ATOM 662 CZ PHE A 693 19.494 -27.869 1.018 1.00 34.80 C ATOM 663 H PHE A 693 15.344 -32.697 -1.352 1.00 0.00 H ATOM 664 N GLU A 694 15.613 -29.639 -2.670 1.00 36.41 N ATOM 665 CA GLU A 694 15.517 -28.533 -3.619 1.00 33.40 C ATOM 666 C GLU A 694 14.081 -28.045 -3.783 1.00 33.69 C ATOM 667 O GLU A 694 13.851 -26.842 -3.973 1.00 34.78 O ATOM 668 CB GLU A 694 16.109 -28.962 -4.969 1.00 31.02 C ATOM 669 CG GLU A 694 16.103 -27.871 -6.038 1.00 38.91 C ATOM 670 CD GLU A 694 17.020 -28.171 -7.217 1.00 53.72 C ATOM 671 OE1 GLU A 694 18.028 -28.889 -7.037 1.00 54.26 O ATOM 672 OE2 GLU A 694 16.731 -27.673 -8.327 1.00 59.42 O ATOM 673 H GLU A 694 15.935 -30.569 -3.007 1.00 0.00 H ATOM 674 N GLU A 695 13.103 -28.949 -3.692 1.00 30.64 N ATOM 675 CA GLU A 695 11.705 -28.541 -3.792 1.00 32.50 C ATOM 676 C GLU A 695 11.330 -27.531 -2.707 1.00 38.87 C ATOM 677 O GLU A 695 10.629 -26.545 -2.977 1.00 37.67 O ATOM 678 CB GLU A 695 10.814 -29.777 -3.711 1.00 35.28 C ATOM 679 CG GLU A 695 9.606 -29.747 -4.609 1.00 45.10 C ATOM 680 CD GLU A 695 8.825 -31.048 -4.517 1.00 54.69 C ATOM 681 OE1 GLU A 695 7.735 -31.045 -3.908 1.00 54.20 O ATOM 682 OE2 GLU A 695 9.329 -32.074 -5.025 1.00 58.79 O ATOM 683 H GLU A 695 13.339 -29.952 -3.549 1.00 0.00 H ATOM 684 N ASP A 696 11.789 -27.750 -1.473 1.00 34.91 N ATOM 685 CA ASP A 696 11.444 -26.825 -0.397 1.00 33.70 C ATOM 686 C ASP A 696 12.197 -25.510 -0.531 1.00 32.99 C ATOM 687 O ASP A 696 11.655 -24.447 -0.205 1.00 33.70 O ATOM 688 CB ASP A 696 11.717 -27.462 0.964 1.00 37.57 C ATOM 689 CG ASP A 696 10.547 -28.299 1.462 1.00 42.22 C ATOM 690 OD1 ASP A 696 9.457 -28.235 0.852 1.00 40.67 O ATOM 691 OD2 ASP A 696 10.711 -29.000 2.478 1.00 40.94 O ATOM 692 H ASP A 696 12.390 -28.576 -1.279 1.00 0.00 H ATOM 693 N PHE A 697 13.452 -25.554 -0.988 1.00 30.14 N ATOM 694 CA PHE A 697 14.151 -24.308 -1.301 1.00 28.13 C ATOM 695 C PHE A 697 13.393 -23.530 -2.364 1.00 28.59 C ATOM 696 O PHE A 697 13.190 -22.319 -2.236 1.00 29.08 O ATOM 697 CB PHE A 697 15.570 -24.570 -1.783 1.00 26.99 C ATOM 698 CG PHE A 697 16.226 -23.347 -2.383 1.00 26.73 C ATOM 699 CD1 PHE A 697 16.711 -22.334 -1.569 1.00 31.35 C ATOM 700 CD2 PHE A 697 16.304 -23.189 -3.762 1.00 27.89 C ATOM 701 CE1 PHE A 697 17.292 -21.195 -2.119 1.00 30.74 C ATOM 702 CE2 PHE A 697 16.871 -22.056 -4.329 1.00 26.54 C ATOM 703 CZ PHE A 697 17.375 -21.055 -3.501 1.00 27.90 C ATOM 704 H PHE A 697 13.929 -26.469 -1.120 1.00 0.00 H ATOM 705 N ASN A 698 12.954 -24.220 -3.425 1.00 30.16 N ATOM 706 CA ASN A 698 12.194 -23.539 -4.474 1.00 29.65 C ATOM 707 C ASN A 698 10.922 -22.909 -3.930 1.00 32.29 C ATOM 708 O ASN A 698 10.464 -21.889 -4.465 1.00 34.20 O ATOM 709 CB ASN A 698 11.852 -24.511 -5.607 1.00 31.30 C ATOM 710 CG ASN A 698 13.068 -24.891 -6.445 1.00 30.79 C ATOM 711 OD1 ASN A 698 14.097 -24.225 -6.417 1.00 32.50 O ATOM 712 ND2 ASN A 698 12.934 -25.974 -7.216 1.00 33.61 N ATOM 713 HD22 ASN A 698 12.043 -26.510 -7.209 1.00 0.00 H ATOM 714 HD21 ASN A 698 13.721 -26.281 -7.823 1.00 0.00 H ATOM 715 H ASN A 698 13.153 -25.238 -3.503 1.00 0.00 H ATOM 716 N LEU A 699 10.330 -23.505 -2.883 1.00 29.50 N ATOM 717 CA LEU A 699 9.129 -22.935 -2.273 1.00 31.88 C ATOM 718 C LEU A 699 9.438 -21.614 -1.587 1.00 32.21 C ATOM 719 O LEU A 699 8.632 -20.679 -1.641 1.00 34.57 O ATOM 720 CB LEU A 699 8.532 -23.908 -1.261 1.00 37.08 C ATOM 721 CG LEU A 699 7.437 -24.836 -1.751 1.00 43.19 C ATOM 722 CD1 LEU A 699 7.013 -25.731 -0.602 1.00 41.80 C ATOM 723 CD2 LEU A 699 6.275 -23.999 -2.263 1.00 41.31 C ATOM 724 H LEU A 699 10.731 -24.385 -2.500 1.00 0.00 H ATOM 725 N ILE A 700 10.587 -21.534 -0.910 1.00 31.44 N ATOM 726 CA ILE A 700 11.017 -20.268 -0.319 1.00 29.13 C ATOM 727 C ILE A 700 10.993 -19.174 -1.374 1.00 29.90 C ATOM 728 O ILE A 700 10.474 -18.071 -1.150 1.00 35.10 O ATOM 729 CB ILE A 700 12.414 -20.416 0.301 1.00 28.33 C ATOM 730 CG1 ILE A 700 12.386 -21.419 1.457 1.00 31.31 C ATOM 731 CG2 ILE A 700 12.941 -19.060 0.795 1.00 29.41 C ATOM 732 CD1 ILE A 700 13.735 -21.538 2.146 1.00 36.12 C ATOM 733 H ILE A 700 11.181 -22.381 -0.802 1.00 0.00 H ATOM 734 N VAL A 701 11.526 -19.486 -2.557 1.00 28.66 N ATOM 735 CA VAL A 701 11.600 -18.502 -3.632 1.00 31.52 C ATOM 736 C VAL A 701 10.213 -18.222 -4.205 1.00 32.42 C ATOM 737 O VAL A 701 9.810 -17.062 -4.334 1.00 30.51 O ATOM 738 CB VAL A 701 12.567 -18.979 -4.733 1.00 27.63 C ATOM 739 CG1 VAL A 701 12.446 -18.087 -5.971 1.00 29.57 C ATOM 740 CG2 VAL A 701 14.004 -18.994 -4.223 1.00 25.60 C ATOM 741 H VAL A 701 11.894 -20.446 -2.715 1.00 0.00 H ATOM 742 N SER A 702 9.471 -19.276 -4.574 1.00 30.72 N ATOM 743 CA SER A 702 8.210 -19.074 -5.285 1.00 30.00 C ATOM 744 C SER A 702 7.163 -18.406 -4.400 1.00 30.56 C ATOM 745 O SER A 702 6.392 -17.564 -4.882 1.00 32.91 O ATOM 746 CB SER A 702 7.688 -20.402 -5.845 1.00 31.92 C ATOM 747 OG SER A 702 7.565 -21.405 -4.851 1.00 30.17 O ATOM 748 HG SER A 702 7.226 -22.238 -5.265 1.00 0.00 H ATOM 749 H SER A 702 9.794 -20.240 -4.354 1.00 0.00 H ATOM 750 N ASN A 703 7.123 -18.754 -3.109 1.00 31.19 N ATOM 751 CA ASN A 703 6.154 -18.125 -2.210 1.00 30.58 C ATOM 752 C ASN A 703 6.366 -16.628 -2.166 1.00 34.66 C ATOM 753 O ASN A 703 5.402 -15.849 -2.166 1.00 36.22 O ATOM 754 CB ASN A 703 6.283 -18.672 -0.794 1.00 35.40 C ATOM 755 CG ASN A 703 5.721 -20.058 -0.645 1.00 37.62 C ATOM 756 OD1 ASN A 703 4.978 -20.547 -1.502 1.00 40.40 O ATOM 757 ND2 ASN A 703 6.047 -20.699 0.470 1.00 42.09 N ATOM 758 HD22 ASN A 703 6.676 -20.248 1.164 1.00 0.00 H ATOM 759 HD21 ASN A 703 5.673 -21.653 0.650 1.00 0.00 H ATOM 760 H ASN A 703 7.781 -19.472 -2.744 1.00 0.00 H ATOM 761 N CYS A 704 7.633 -16.219 -2.099 1.00 32.24 N ATOM 762 CA CYS A 704 7.983 -14.809 -2.017 1.00 30.36 C ATOM 763 C CYS A 704 7.634 -14.082 -3.310 1.00 32.01 C ATOM 764 O CYS A 704 7.074 -12.976 -3.275 1.00 32.79 O ATOM 765 CB CYS A 704 9.469 -14.679 -1.690 1.00 30.17 C ATOM 766 SG CYS A 704 9.993 -13.006 -1.347 1.00 34.87 S ATOM 767 H CYS A 704 8.393 -16.928 -2.106 1.00 0.00 H ATOM 768 N LEU A 705 7.944 -14.691 -4.459 1.00 28.62 N ATOM 769 CA LEU A 705 7.561 -14.086 -5.733 1.00 28.26 C ATOM 770 C LEU A 705 6.045 -13.954 -5.824 1.00 28.84 C ATOM 771 O LEU A 705 5.532 -12.954 -6.337 1.00 32.72 O ATOM 772 CB LEU A 705 8.101 -14.916 -6.905 1.00 26.09 C ATOM 773 CG LEU A 705 9.622 -15.084 -7.026 1.00 25.46 C ATOM 774 CD1 LEU A 705 9.934 -16.014 -8.196 1.00 30.25 C ATOM 775 CD2 LEU A 705 10.308 -13.754 -7.227 1.00 29.10 C ATOM 776 H LEU A 705 8.458 -15.595 -4.446 1.00 0.00 H ATOM 777 N LYS A 706 5.312 -14.955 -5.331 1.00 32.01 N ATOM 778 CA LYS A 706 3.851 -14.909 -5.415 1.00 30.59 C ATOM 779 C LYS A 706 3.273 -13.811 -4.529 1.00 35.61 C ATOM 780 O LYS A 706 2.378 -13.057 -4.951 1.00 35.57 O ATOM 781 CB LYS A 706 3.258 -16.267 -5.032 1.00 32.94 C ATOM 782 CG LYS A 706 1.757 -16.361 -5.258 1.00 41.43 C ATOM 783 CD LYS A 706 1.289 -17.811 -5.150 1.00 50.52 C ATOM 784 CE LYS A 706 2.122 -18.720 -6.046 1.00 56.55 C ATOM 785 H LYS A 706 5.780 -15.770 -4.886 1.00 0.00 H ATOM 786 N TYR A 707 3.748 -13.715 -3.286 1.00 33.95 N ATOM 787 CA TYR A 707 3.078 -12.833 -2.337 1.00 39.58 C ATOM 788 C TYR A 707 3.369 -11.359 -2.579 1.00 41.80 C ATOM 789 O TYR A 707 2.491 -10.517 -2.351 1.00 42.79 O ATOM 790 CB TYR A 707 3.457 -13.192 -0.898 1.00 40.58 C ATOM 791 CG TYR A 707 2.734 -12.310 0.084 1.00 43.34 C ATOM 792 CD1 TYR A 707 1.379 -12.498 0.351 1.00 42.79 C ATOM 793 CD2 TYR A 707 3.386 -11.254 0.706 1.00 45.00 C ATOM 794 CE1 TYR A 707 0.704 -11.662 1.232 1.00 43.39 C ATOM 795 CE2 TYR A 707 2.721 -10.419 1.587 1.00 47.95 C ATOM 796 CZ TYR A 707 1.384 -10.626 1.843 1.00 49.99 C ATOM 797 OH TYR A 707 0.728 -9.793 2.717 1.00 55.06 O ATOM 798 HH TYR A 707 -0.219 -10.074 2.791 1.00 0.00 H ATOM 799 H TYR A 707 4.585 -14.262 -2.998 1.00 0.00 H ATOM 800 N ASN A 708 4.569 -11.022 -3.032 1.00 36.22 N ATOM 801 CA ASN A 708 5.043 -9.645 -3.009 1.00 33.54 C ATOM 802 C ASN A 708 5.008 -9.033 -4.397 1.00 33.11 C ATOM 803 O ASN A 708 5.232 -9.724 -5.396 1.00 35.26 O ATOM 804 CB ASN A 708 6.464 -9.583 -2.459 1.00 32.38 C ATOM 805 CG ASN A 708 6.539 -10.048 -1.033 1.00 36.49 C ATOM 806 OD1 ASN A 708 6.106 -9.347 -0.125 1.00 40.28 O ATOM 807 ND2 ASN A 708 7.060 -11.253 -0.826 1.00 39.65 N ATOM 808 HD22 ASN A 708 7.415 -11.811 -1.629 1.00 0.00 H ATOM 809 HD21 ASN A 708 7.113 -11.638 0.139 1.00 0.00 H ATOM 810 H ASN A 708 5.190 -11.763 -3.415 1.00 0.00 H ATOM 811 N ALA A 709 4.699 -7.738 -4.452 1.00 34.20 N ATOM 812 CA ALA A 709 4.704 -7.035 -5.719 1.00 33.67 C ATOM 813 C ALA A 709 6.118 -6.993 -6.289 1.00 34.10 C ATOM 814 O ALA A 709 7.119 -7.091 -5.563 1.00 33.66 O ATOM 815 CB ALA A 709 4.154 -5.620 -5.554 1.00 34.63 C ATOM 816 H ALA A 709 4.453 -7.228 -3.580 1.00 0.00 H ATOM 817 N LYS A 710 6.194 -6.826 -7.611 1.00 34.82 N ATOM 818 CA LYS A 710 7.483 -6.931 -8.282 1.00 31.82 C ATOM 819 C LYS A 710 8.422 -5.811 -7.873 1.00 37.83 C ATOM 820 O LYS A 710 9.640 -6.001 -7.899 1.00 43.48 O ATOM 821 CB LYS A 710 7.319 -6.926 -9.801 1.00 34.44 C ATOM 822 CG LYS A 710 6.694 -8.199 -10.365 1.00 36.54 C ATOM 823 CD LYS A 710 6.670 -8.206 -11.891 1.00 38.25 C ATOM 824 CE LYS A 710 7.986 -8.712 -12.473 1.00 38.32 C ATOM 825 NZ LYS A 710 8.004 -8.593 -13.954 1.00 33.85 N ATOM 826 HZ1 LYS A 710 7.227 -9.155 -14.355 1.00 0.00 H ATOM 827 HZ2 LYS A 710 7.886 -7.595 -14.222 1.00 0.00 H ATOM 828 HZ3 LYS A 710 8.912 -8.945 -14.318 1.00 0.00 H ATOM 829 H LYS A 710 5.335 -6.621 -8.161 1.00 0.00 H ATOM 830 N ASP A 711 7.891 -4.648 -7.494 1.00 35.25 N ATOM 831 CA ASP A 711 8.723 -3.487 -7.207 1.00 40.80 C ATOM 832 C ASP A 711 9.189 -3.428 -5.759 1.00 42.84 C ATOM 833 O ASP A 711 9.580 -2.356 -5.294 1.00 44.12 O ATOM 834 CB ASP A 711 7.980 -2.197 -7.571 1.00 44.06 C ATOM 835 CG ASP A 711 6.759 -1.926 -6.679 1.00 51.37 C ATOM 836 OD1 ASP A 711 6.379 -2.787 -5.855 1.00 50.90 O ATOM 837 OD2 ASP A 711 6.161 -0.830 -6.818 1.00 54.10 O ATOM 838 H ASP A 711 6.858 -4.568 -7.401 1.00 0.00 H ATOM 839 N THR A 712 9.172 -4.547 -5.044 1.00 39.63 N ATOM 840 CA THR A 712 9.535 -4.568 -3.636 1.00 38.64 C ATOM 841 C THR A 712 10.913 -5.188 -3.445 1.00 42.84 C ATOM 842 O THR A 712 11.420 -5.925 -4.303 1.00 38.61 O ATOM 843 CB THR A 712 8.498 -5.343 -2.815 1.00 34.40 C ATOM 844 OG1 THR A 712 8.484 -6.728 -3.218 1.00 34.58 O ATOM 845 CG2 THR A 712 7.115 -4.732 -3.026 1.00 39.40 C ATOM 846 HG1 THR A 712 8.251 -6.789 -4.178 1.00 0.00 H ATOM 847 H THR A 712 8.890 -5.436 -5.505 1.00 0.00 H ATOM 848 N ILE A 713 11.519 -4.877 -2.296 1.00 39.45 N ATOM 849 CA ILE A 713 12.772 -5.533 -1.934 1.00 41.95 C ATOM 850 C ILE A 713 12.571 -7.040 -1.784 1.00 38.61 C ATOM 851 O ILE A 713 13.399 -7.837 -2.252 1.00 36.11 O ATOM 852 CB ILE A 713 13.355 -4.902 -0.657 1.00 46.47 C ATOM 853 CG1 ILE A 713 13.566 -3.407 -0.873 1.00 54.43 C ATOM 854 CG2 ILE A 713 14.668 -5.572 -0.293 1.00 48.64 C ATOM 855 CD1 ILE A 713 14.687 -3.089 -1.820 1.00 53.90 C ATOM 856 H ILE A 713 11.099 -4.169 -1.660 1.00 0.00 H ATOM 857 N PHE A 714 11.469 -7.461 -1.142 1.00 36.59 N ATOM 858 CA PHE A 714 11.205 -8.889 -0.981 1.00 34.39 C ATOM 859 C PHE A 714 11.276 -9.610 -2.315 1.00 36.50 C ATOM 860 O PHE A 714 11.941 -10.646 -2.443 1.00 32.90 O ATOM 861 CB PHE A 714 9.832 -9.128 -0.348 1.00 33.44 C ATOM 862 CG PHE A 714 9.749 -8.751 1.095 1.00 45.92 C ATOM 863 CD1 PHE A 714 10.310 -9.563 2.069 1.00 50.41 C ATOM 864 CD2 PHE A 714 9.091 -7.595 1.487 1.00 48.44 C ATOM 865 CE1 PHE A 714 10.227 -9.223 3.403 1.00 54.58 C ATOM 866 CE2 PHE A 714 9.006 -7.252 2.818 1.00 55.20 C ATOM 867 CZ PHE A 714 9.573 -8.066 3.779 1.00 55.87 C ATOM 868 H PHE A 714 10.799 -6.765 -0.757 1.00 0.00 H ATOM 869 N TYR A 715 10.588 -9.079 -3.330 1.00 35.19 N ATOM 870 CA TYR A 715 10.531 -9.784 -4.604 1.00 32.76 C ATOM 871 C TYR A 715 11.918 -9.875 -5.232 1.00 29.81 C ATOM 872 O TYR A 715 12.344 -10.953 -5.675 1.00 30.07 O ATOM 873 CB TYR A 715 9.540 -9.094 -5.541 1.00 31.99 C ATOM 874 CG TYR A 715 9.269 -9.828 -6.839 1.00 31.94 C ATOM 875 CD1 TYR A 715 10.118 -9.691 -7.929 1.00 27.85 C ATOM 876 CD2 TYR A 715 8.123 -10.623 -6.991 1.00 28.51 C ATOM 877 CE1 TYR A 715 9.859 -10.346 -9.126 1.00 27.29 C ATOM 878 CE2 TYR A 715 7.866 -11.292 -8.183 1.00 25.56 C ATOM 879 CZ TYR A 715 8.726 -11.139 -9.243 1.00 28.37 C ATOM 880 OH TYR A 715 8.468 -11.791 -10.420 1.00 28.82 O ATOM 881 HH TYR A 715 9.177 -11.577 -11.077 1.00 0.00 H ATOM 882 H TYR A 715 10.097 -8.170 -3.212 1.00 0.00 H ATOM 883 N ARG A 716 12.656 -8.758 -5.247 1.00 28.46 N ATOM 884 CA ARG A 716 13.981 -8.784 -5.855 1.00 31.62 C ATOM 885 C ARG A 716 14.920 -9.700 -5.084 1.00 31.36 C ATOM 886 O ARG A 716 15.776 -10.345 -5.692 1.00 29.15 O ATOM 887 CB ARG A 716 14.580 -7.380 -5.941 1.00 36.21 C ATOM 888 CG ARG A 716 15.573 -7.235 -7.097 1.00 50.30 C ATOM 889 CD ARG A 716 14.933 -7.729 -8.402 1.00 55.67 C ATOM 890 NE ARG A 716 15.828 -7.701 -9.558 1.00 59.35 N ATOM 891 CZ ARG A 716 16.847 -8.538 -9.747 1.00 66.51 C ATOM 892 NH1 ARG A 716 17.129 -9.470 -8.843 1.00 65.69 N ATOM 893 NH2 ARG A 716 17.596 -8.433 -10.836 1.00 69.70 N ATOM 894 HE ARG A 716 15.657 -6.976 -10.284 1.00 0.00 H ATOM 895 HH12 ARG A 716 17.926 -10.120 -8.997 1.00 0.00 H ATOM 896 HH11 ARG A 716 16.553 -9.550 -7.981 1.00 0.00 H ATOM 897 HH22 ARG A 716 18.392 -9.086 -10.985 1.00 0.00 H ATOM 898 HH21 ARG A 716 17.388 -7.698 -11.541 1.00 0.00 H ATOM 899 H ARG A 716 12.288 -7.880 -4.829 1.00 0.00 H ATOM 900 N ALA A 717 14.758 -9.785 -3.758 1.00 30.36 N ATOM 901 CA ALA A 717 15.581 -10.702 -2.967 1.00 32.40 C ATOM 902 C ALA A 717 15.328 -12.154 -3.348 1.00 27.53 C ATOM 903 O ALA A 717 16.260 -12.968 -3.360 1.00 30.15 O ATOM 904 CB ALA A 717 15.329 -10.504 -1.473 1.00 35.29 C ATOM 905 H ALA A 717 14.043 -9.196 -3.286 1.00 0.00 H ATOM 906 N ALA A 718 14.068 -12.513 -3.617 1.00 26.66 N ATOM 907 CA ALA A 718 13.779 -13.882 -4.033 1.00 25.55 C ATOM 908 C ALA A 718 14.358 -14.168 -5.416 1.00 24.44 C ATOM 909 O ALA A 718 14.855 -15.270 -5.677 1.00 27.83 O ATOM 910 CB ALA A 718 12.269 -14.118 -4.005 1.00 26.15 C ATOM 911 H ALA A 718 13.298 -11.820 -3.530 1.00 0.00 H ATOM 912 N VAL A 719 14.306 -13.192 -6.319 1.00 23.86 N ATOM 913 CA VAL A 719 14.927 -13.376 -7.631 1.00 27.40 C ATOM 914 C VAL A 719 16.420 -13.618 -7.477 1.00 29.11 C ATOM 915 O VAL A 719 16.993 -14.522 -8.107 1.00 28.83 O ATOM 916 CB VAL A 719 14.645 -12.164 -8.536 1.00 28.31 C ATOM 917 CG1 VAL A 719 15.496 -12.241 -9.789 1.00 31.53 C ATOM 918 CG2 VAL A 719 13.171 -12.148 -8.921 1.00 28.56 C ATOM 919 H VAL A 719 13.824 -12.299 -6.092 1.00 0.00 H ATOM 920 N ARG A 720 17.067 -12.834 -6.616 1.00 25.48 N ATOM 921 CA ARG A 720 18.509 -12.985 -6.419 1.00 25.84 C ATOM 922 C ARG A 720 18.827 -14.315 -5.765 1.00 27.67 C ATOM 923 O ARG A 720 19.807 -14.978 -6.130 1.00 31.26 O ATOM 924 CB ARG A 720 19.063 -11.842 -5.574 1.00 29.43 C ATOM 925 CG ARG A 720 20.578 -11.797 -5.641 1.00 35.49 C ATOM 926 CD ARG A 720 21.153 -10.733 -4.738 1.00 45.60 C ATOM 927 NE ARG A 720 20.817 -10.990 -3.337 1.00 47.92 N ATOM 928 CZ ARG A 720 21.160 -10.183 -2.338 1.00 53.77 C ATOM 929 NH1 ARG A 720 21.833 -9.077 -2.598 1.00 45.66 N ATOM 930 NH2 ARG A 720 20.818 -10.471 -1.090 1.00 57.13 N ATOM 931 HE ARG A 720 20.280 -11.852 -3.111 1.00 0.00 H ATOM 932 HH12 ARG A 720 22.106 -8.440 -1.823 1.00 0.00 H ATOM 933 HH11 ARG A 720 22.090 -8.843 -3.578 1.00 0.00 H ATOM 934 HH22 ARG A 720 21.091 -9.833 -0.316 1.00 0.00 H ATOM 935 HH21 ARG A 720 20.276 -11.335 -0.885 1.00 0.00 H ATOM 936 H ARG A 720 16.545 -12.111 -6.081 1.00 0.00 H ATOM 937 N LEU A 721 18.003 -14.722 -4.802 1.00 29.15 N ATOM 938 CA LEU A 721 18.214 -16.014 -4.156 1.00 25.87 C ATOM 939 C LEU A 721 18.037 -17.151 -5.148 1.00 30.02 C ATOM 940 O LEU A 721 18.813 -18.116 -5.144 1.00 29.74 O ATOM 941 CB LEU A 721 17.260 -16.176 -2.978 1.00 27.94 C ATOM 942 CG LEU A 721 17.428 -17.490 -2.204 1.00 27.20 C ATOM 943 CD1 LEU A 721 18.806 -17.515 -1.545 1.00 33.36 C ATOM 944 CD2 LEU A 721 16.324 -17.630 -1.180 1.00 32.41 C ATOM 945 H LEU A 721 17.208 -14.119 -4.509 1.00 0.00 H ATOM 946 N ARG A 722 17.022 -17.052 -6.010 1.00 25.66 N ATOM 947 CA ARG A 722 16.855 -18.048 -7.061 1.00 23.16 C ATOM 948 C ARG A 722 18.106 -18.146 -7.924 1.00 29.80 C ATOM 949 O ARG A 722 18.574 -19.254 -8.224 1.00 31.84 O ATOM 950 CB ARG A 722 15.646 -17.688 -7.918 1.00 25.54 C ATOM 951 CG ARG A 722 15.341 -18.704 -9.000 1.00 32.12 C ATOM 952 CD ARG A 722 14.145 -18.237 -9.797 1.00 30.48 C ATOM 953 NE ARG A 722 14.504 -17.107 -10.637 1.00 29.82 N ATOM 954 CZ ARG A 722 13.642 -16.216 -11.115 1.00 32.59 C ATOM 955 NH1 ARG A 722 14.085 -15.215 -11.863 1.00 31.35 N ATOM 956 NH2 ARG A 722 12.346 -16.329 -10.841 1.00 32.82 N ATOM 957 HE ARG A 722 15.508 -16.987 -10.882 1.00 0.00 H ATOM 958 HH12 ARG A 722 13.417 -14.513 -12.241 1.00 0.00 H ATOM 959 HH11 ARG A 722 15.100 -15.132 -12.072 1.00 0.00 H ATOM 960 HH22 ARG A 722 11.672 -15.631 -11.216 1.00 0.00 H ATOM 961 HH21 ARG A 722 12.006 -17.116 -10.252 1.00 0.00 H ATOM 962 H ARG A 722 16.349 -16.263 -5.931 1.00 0.00 H ATOM 963 N GLU A 723 18.669 -16.993 -8.306 1.00 29.71 N ATOM 964 CA GLU A 723 19.840 -16.966 -9.179 1.00 35.57 C ATOM 965 C GLU A 723 21.055 -17.530 -8.467 1.00 38.38 C ATOM 966 O GLU A 723 21.698 -18.469 -8.955 1.00 41.47 O ATOM 967 CB GLU A 723 20.125 -15.540 -9.647 1.00 36.31 C ATOM 968 CG GLU A 723 19.022 -14.942 -10.517 1.00 43.93 C ATOM 969 CD GLU A 723 19.293 -13.494 -10.901 1.00 56.61 C ATOM 970 OE1 GLU A 723 20.224 -12.883 -10.327 1.00 61.20 O ATOM 971 OE2 GLU A 723 18.574 -12.970 -11.779 1.00 61.22 O ATOM 972 H GLU A 723 18.263 -16.095 -7.973 1.00 0.00 H ATOM 973 N GLN A 724 21.359 -16.991 -7.288 1.00 32.79 N ATOM 974 CA GLN A 724 22.569 -17.408 -6.590 1.00 36.24 C ATOM 975 C GLN A 724 22.424 -18.803 -6.003 1.00 39.49 C ATOM 976 O GLN A 724 23.402 -19.563 -5.985 1.00 41.89 O ATOM 977 CB GLN A 724 22.912 -16.378 -5.520 1.00 35.09 C ATOM 978 CG GLN A 724 23.264 -15.029 -6.118 1.00 39.58 C ATOM 979 CD GLN A 724 23.580 -13.996 -5.077 1.00 47.49 C ATOM 980 OE1 GLN A 724 23.373 -14.216 -3.886 1.00 44.54 O ATOM 981 NE2 GLN A 724 24.092 -12.852 -5.518 1.00 51.63 N ATOM 982 HE22 GLN A 724 24.250 -12.711 -6.536 1.00 0.00 H ATOM 983 HE21 GLN A 724 24.335 -12.097 -4.845 1.00 0.00 H ATOM 984 H GLN A 724 20.735 -16.274 -6.866 1.00 0.00 H ATOM 985 N GLY A 725 21.220 -19.161 -5.541 1.00 32.03 N ATOM 986 CA GLY A 725 20.973 -20.508 -5.051 1.00 35.26 C ATOM 987 C GLY A 725 21.081 -21.569 -6.125 1.00 41.72 C ATOM 988 O GLY A 725 21.465 -22.708 -5.836 1.00 39.47 O ATOM 989 H GLY A 725 20.448 -18.464 -5.532 1.00 0.00 H ATOM 990 N GLY A 726 20.771 -21.213 -7.375 1.00 41.75 N ATOM 991 CA GLY A 726 20.806 -22.201 -8.445 1.00 47.60 C ATOM 992 C GLY A 726 22.188 -22.787 -8.665 1.00 45.85 C ATOM 993 O GLY A 726 22.338 -23.997 -8.870 1.00 41.06 O ATOM 994 H GLY A 726 20.504 -20.230 -7.584 1.00 0.00 H ATOM 995 N ALA A 727 23.214 -21.941 -8.633 1.00 47.44 N ATOM 996 CA ALA A 727 24.575 -22.436 -8.765 1.00 41.78 C ATOM 997 C ALA A 727 24.955 -23.312 -7.581 1.00 36.01 C ATOM 998 O ALA A 727 25.612 -24.345 -7.752 1.00 40.81 O ATOM 999 CB ALA A 727 25.547 -21.264 -8.901 1.00 48.88 C ATOM 1000 H ALA A 727 23.042 -20.922 -8.513 1.00 0.00 H ATOM 1001 N VAL A 728 24.549 -22.912 -6.373 1.00 34.90 N ATOM 1002 CA VAL A 728 24.876 -23.681 -5.174 1.00 36.15 C ATOM 1003 C VAL A 728 24.273 -25.074 -5.261 1.00 35.69 C ATOM 1004 O VAL A 728 24.921 -26.075 -4.932 1.00 38.17 O ATOM 1005 CB VAL A 728 24.395 -22.929 -3.918 1.00 33.52 C ATOM 1006 CG1 VAL A 728 24.409 -23.842 -2.691 1.00 37.34 C ATOM 1007 CG2 VAL A 728 25.269 -21.691 -3.692 1.00 38.02 C ATOM 1008 H VAL A 728 23.991 -22.039 -6.284 1.00 0.00 H ATOM 1009 N LEU A 729 23.027 -25.156 -5.726 1.00 31.53 N ATOM 1010 CA LEU A 729 22.334 -26.436 -5.797 1.00 30.14 C ATOM 1011 C LEU A 729 22.923 -27.336 -6.873 1.00 35.53 C ATOM 1012 O LEU A 729 22.995 -28.557 -6.692 1.00 37.37 O ATOM 1013 CB LEU A 729 20.846 -26.197 -6.060 1.00 33.55 C ATOM 1014 CG LEU A 729 20.125 -25.661 -4.832 1.00 39.73 C ATOM 1015 CD1 LEU A 729 18.763 -25.118 -5.223 1.00 43.38 C ATOM 1016 CD2 LEU A 729 19.983 -26.761 -3.808 1.00 37.12 C ATOM 1017 H LEU A 729 22.541 -24.293 -6.043 1.00 0.00 H ATOM 1018 N ARG A 730 23.304 -26.756 -8.013 1.00 37.33 N ATOM 1019 CA ARG A 730 23.897 -27.541 -9.091 1.00 42.10 C ATOM 1020 C ARG A 730 25.173 -28.223 -8.629 1.00 37.96 C ATOM 1021 O ARG A 730 25.377 -29.423 -8.860 1.00 39.53 O ATOM 1022 CB ARG A 730 24.180 -26.637 -10.287 1.00 55.02 C ATOM 1023 CG ARG A 730 23.517 -27.074 -11.568 1.00 64.06 C ATOM 1024 CD ARG A 730 22.946 -25.873 -12.287 1.00 62.36 C ATOM 1025 NE ARG A 730 23.943 -24.824 -12.464 1.00 60.78 N ATOM 1026 CZ ARG A 730 23.653 -23.531 -12.559 1.00 60.99 C ATOM 1027 NH1 ARG A 730 24.628 -22.644 -12.718 1.00 62.57 N ATOM 1028 NH2 ARG A 730 22.391 -23.125 -12.477 1.00 56.00 N ATOM 1029 HE ARG A 730 24.943 -25.105 -12.519 1.00 0.00 H ATOM 1030 HH12 ARG A 730 24.403 -21.631 -12.793 1.00 0.00 H ATOM 1031 HH11 ARG A 730 25.617 -22.962 -12.768 1.00 0.00 H ATOM 1032 HH22 ARG A 730 22.165 -22.113 -12.551 1.00 0.00 H ATOM 1033 HH21 ARG A 730 21.629 -23.819 -12.338 1.00 0.00 H ATOM 1034 H ARG A 730 23.177 -25.731 -8.135 1.00 0.00 H ATOM 1035 N GLN A 731 26.049 -27.468 -7.967 1.00 40.45 N ATOM 1036 CA GLN A 731 27.299 -28.045 -7.495 1.00 42.34 C ATOM 1037 C GLN A 731 27.043 -29.107 -6.433 1.00 42.34 C ATOM 1038 O GLN A 731 27.679 -30.166 -6.437 1.00 46.43 O ATOM 1039 CB GLN A 731 28.210 -26.945 -6.956 1.00 46.26 C ATOM 1040 CG GLN A 731 29.594 -27.425 -6.580 1.00 54.74 C ATOM 1041 H GLN A 731 25.839 -26.465 -7.787 1.00 0.00 H ATOM 1042 N ALA A 732 26.102 -28.845 -5.524 1.00 41.61 N ATOM 1043 CA ALA A 732 25.790 -29.819 -4.485 1.00 42.02 C ATOM 1044 C ALA A 732 25.235 -31.104 -5.084 1.00 45.74 C ATOM 1045 O ALA A 732 25.551 -32.203 -4.614 1.00 49.04 O ATOM 1046 CB ALA A 732 24.799 -29.215 -3.492 1.00 39.31 C ATOM 1047 H ALA A 732 25.588 -27.941 -5.557 1.00 0.00 H ATOM 1048 N ARG A 733 24.399 -30.989 -6.117 1.00 42.89 N ATOM 1049 CA ARG A 733 23.834 -32.185 -6.731 1.00 43.49 C ATOM 1050 C ARG A 733 24.914 -33.000 -7.426 1.00 51.61 C ATOM 1051 O ARG A 733 24.874 -34.237 -7.410 1.00 52.84 O ATOM 1052 CB ARG A 733 22.729 -31.811 -7.718 1.00 41.97 C ATOM 1053 CG ARG A 733 21.928 -33.006 -8.203 1.00 53.08 C ATOM 1054 CD ARG A 733 20.981 -32.631 -9.332 1.00 56.94 C ATOM 1055 NE ARG A 733 19.811 -31.865 -8.900 1.00 47.23 N ATOM 1056 CZ ARG A 733 18.666 -32.417 -8.501 1.00 47.01 C ATOM 1057 NH1 ARG A 733 18.550 -33.734 -8.454 1.00 45.31 N ATOM 1058 NH2 ARG A 733 17.640 -31.660 -8.140 1.00 50.49 N ATOM 1059 HE ARG A 733 19.877 -30.827 -8.905 1.00 0.00 H ATOM 1060 HH12 ARG A 733 17.657 -34.167 -8.143 1.00 0.00 H ATOM 1061 HH11 ARG A 733 19.352 -34.337 -8.728 1.00 0.00 H ATOM 1062 HH22 ARG A 733 16.751 -32.102 -7.830 1.00 0.00 H ATOM 1063 HH21 ARG A 733 17.724 -30.624 -8.166 1.00 0.00 H ATOM 1064 H ARG A 733 24.151 -30.048 -6.484 1.00 0.00 H ATOM 1065 N ARG A 734 25.886 -32.327 -8.043 1.00 43.54 N ATOM 1066 CA ARG A 734 27.015 -33.051 -8.626 1.00 46.87 C ATOM 1067 C ARG A 734 27.765 -33.847 -7.566 1.00 54.44 C ATOM 1068 O ARG A 734 28.137 -35.005 -7.796 1.00 60.51 O ATOM 1069 CB ARG A 734 27.960 -32.077 -9.336 1.00 52.30 C ATOM 1070 CG ARG A 734 27.428 -31.549 -10.653 1.00 53.19 C ATOM 1071 CD ARG A 734 28.512 -30.787 -11.426 1.00 64.53 C ATOM 1072 NE ARG A 734 28.904 -29.541 -10.769 1.00 69.82 N ATOM 1073 CZ ARG A 734 28.359 -28.354 -11.030 1.00 74.66 C ATOM 1074 NH1 ARG A 734 27.394 -28.247 -11.938 1.00 72.59 N ATOM 1075 NH2 ARG A 734 28.779 -27.272 -10.383 1.00 76.76 N ATOM 1076 HE ARG A 734 29.656 -29.584 -10.052 1.00 0.00 H ATOM 1077 HH12 ARG A 734 26.970 -27.319 -12.140 1.00 0.00 H ATOM 1078 HH11 ARG A 734 27.063 -29.091 -12.447 1.00 0.00 H ATOM 1079 HH22 ARG A 734 28.353 -26.346 -10.588 1.00 0.00 H ATOM 1080 HH21 ARG A 734 29.534 -27.352 -9.672 1.00 0.00 H ATOM 1081 H ARG A 734 25.841 -31.290 -8.109 1.00 0.00 H ATOM 1082 N GLN A 735 27.996 -33.242 -6.398 1.00 56.80 N ATOM 1083 CA GLN A 735 28.645 -33.959 -5.304 1.00 55.37 C ATOM 1084 C GLN A 735 27.824 -35.166 -4.870 1.00 56.99 C ATOM 1085 O GLN A 735 28.378 -36.231 -4.564 1.00 56.51 O ATOM 1086 CB GLN A 735 28.873 -33.018 -4.120 1.00 59.12 C ATOM 1087 CG GLN A 735 29.645 -31.749 -4.448 1.00 69.97 C ATOM 1088 CD GLN A 735 31.091 -32.012 -4.826 1.00 81.06 C ATOM 1089 OE1 GLN A 735 31.646 -33.068 -4.517 1.00 83.29 O ATOM 1090 NE2 GLN A 735 31.711 -31.047 -5.501 1.00 85.02 N ATOM 1091 HE22 GLN A 735 31.204 -30.171 -5.741 1.00 0.00 H ATOM 1092 HE21 GLN A 735 32.703 -31.168 -5.789 1.00 0.00 H ATOM 1093 H GLN A 735 27.711 -32.251 -6.266 1.00 0.00 H ATOM 1094 N ALA A 736 26.498 -35.020 -4.839 1.00 56.14 N ATOM 1095 CA ALA A 736 25.635 -36.123 -4.427 1.00 59.54 C ATOM 1096 C ALA A 736 25.655 -37.260 -5.443 1.00 67.08 C ATOM 1097 O ALA A 736 25.667 -38.438 -5.064 1.00 64.88 O ATOM 1098 CB ALA A 736 24.206 -35.619 -4.221 1.00 56.87 C ATOM 1099 H ALA A 736 26.075 -34.110 -5.111 1.00 0.00 H ATOM 1100 N GLU A 737 25.648 -36.929 -6.738 1.00 65.55 N ATOM 1101 CA GLU A 737 25.607 -37.959 -7.771 1.00 70.47 C ATOM 1102 C GLU A 737 26.885 -38.787 -7.817 1.00 70.46 C ATOM 1103 O GLU A 737 26.861 -39.915 -8.325 1.00 73.43 O ATOM 1104 CB GLU A 737 25.326 -37.319 -9.133 1.00 72.92 C ATOM 1105 CG GLU A 737 23.942 -36.685 -9.221 1.00 74.87 C ATOM 1106 CD GLU A 737 23.614 -36.173 -10.610 1.00 79.97 C ATOM 1107 OE1 GLU A 737 24.410 -36.429 -11.538 1.00 86.01 O ATOM 1108 OE2 GLU A 737 22.560 -35.519 -10.774 1.00 77.92 O ATOM 1109 H GLU A 737 25.672 -35.926 -7.013 1.00 0.00 H ATOM 1110 N LYS A 738 27.993 -38.263 -7.287 1.00 70.82 N ATOM 1111 CA LYS A 738 29.209 -39.058 -7.148 1.00 74.56 C ATOM 1112 C LYS A 738 29.079 -40.120 -6.066 1.00 76.47 C ATOM 1113 O LYS A 738 29.806 -41.120 -6.101 1.00 82.71 O ATOM 1114 CB LYS A 738 30.398 -38.144 -6.842 1.00 71.22 C ATOM 1115 CG LYS A 738 30.731 -37.169 -7.959 1.00 70.30 C ATOM 1116 CD LYS A 738 31.306 -37.898 -9.165 1.00 75.40 C ATOM 1117 H LYS A 738 27.989 -37.273 -6.968 1.00 0.00 H ATOM 1118 N MET A 739 28.173 -39.928 -5.110 1.00 75.95 N ATOM 1119 CA MET A 739 27.971 -40.888 -4.029 1.00 78.73 C ATOM 1120 C MET A 739 27.276 -42.144 -4.545 1.00 78.12 C ATOM 1121 O MET A 739 27.127 -43.126 -3.818 1.00 81.97 O ATOM 1122 CB MET A 739 27.152 -40.258 -2.894 1.00 76.79 C ATOM 1123 CG MET A 739 27.795 -39.027 -2.251 1.00 72.50 C ATOM 1124 SD MET A 739 26.689 -38.103 -1.146 1.00 61.42 S ATOM 1125 CE MET A 739 27.819 -36.852 -0.521 1.00 57.25 C ATOM 1126 H MET A 739 27.591 -39.067 -5.134 1.00 0.00 H TER 1127 MET A 739 HETATM 1128 O HOH 1 19.061 -16.799 5.827 1.00 45.52 O HETATM 1129 O HOH 2 12.961 -36.818 0.745 1.00 54.49 O HETATM 1130 O HOH 3 23.980 -12.879 -1.842 1.00 49.18 O HETATM 1131 O HOH 4 7.045 -18.719 2.743 1.00 41.32 O HETATM 1132 O HOH 5 10.602 -34.261 -5.466 1.00 60.70 O HETATM 1133 O HOH 6 10.214 -31.579 -0.606 1.00 42.19 O HETATM 1134 O HOH 7 7.423 -15.225 1.296 1.00 38.38 O HETATM 1135 O HOH 8 18.133 -22.837 9.353 1.00 56.51 O HETATM 1136 O HOH 9 20.325 -25.222 -9.938 1.00 51.40 O HETATM 1137 O HOH 10 12.514 -9.820 -11.958 1.00 46.73 O HETATM 1138 O HOH 11 16.856 -14.543 -12.938 1.00 47.77 O HETATM 1139 O HOH 12 8.130 -29.250 -1.173 1.00 51.41 O HETATM 1140 O HOH 13 7.974 -23.782 -5.914 1.00 40.46 O HETATM 1141 O HOH 14 25.945 -18.856 -6.238 1.00 49.71 O HETATM 1142 O HOH 15 27.942 -30.474 6.798 1.00 49.16 O HETATM 1143 O HOH 16 6.626 0.613 -9.033 1.00 55.36 O HETATM 1144 O HOH 17 8.711 -16.015 12.287 1.00 58.39 O HETATM 1145 O HOH 18 10.394 -14.122 9.266 1.00 55.52 O HETATM 1146 O HOH 19 16.597 -35.278 5.669 1.00 43.42 O HETATM 1147 O HOH 20 17.345 -21.687 -8.228 1.00 41.48 O HETATM 1148 O HOH 21 10.669 -17.775 3.474 1.00 40.95 O HETATM 1149 O HOH 22 22.156 -16.835 7.460 1.00 56.70 O HETATM 1150 O HOH 23 10.409 -15.968 5.511 1.00 44.83 O HETATM 1151 O HOH 24 9.192 -17.431 1.203 1.00 40.82 O HETATM 1152 O HOH 25 7.473 -21.351 6.690 1.00 47.74 O HETATM 1153 O HOH 26 14.417 -21.569 -7.094 1.00 38.92 O HETATM 1154 O HOH 27 27.217 -28.087 -0.824 1.00 45.77 O HETATM 1155 O HOH 28 20.102 -24.668 -12.589 1.00 50.53 O HETATM 1156 O HOH 29 5.675 -6.619 -0.025 1.00 48.10 O HETATM 1157 O HOH 30 -1.472 -14.999 -0.057 1.00 56.76 O HETATM 1158 O HOH 31 18.673 -11.547 1.194 1.00 44.67 O HETATM 1159 O HOH 32 4.615 -21.015 -4.226 1.00 39.02 O HETATM 1160 O HOH 33 13.462 -31.706 13.424 1.00 58.21 O HETATM 1161 O HOH 34 17.439 -20.181 9.774 1.00 51.07 O HETATM 1162 O HOH 35 8.813 -26.300 -5.093 1.00 36.41 O HETATM 1163 O HOH 36 2.855 -22.387 -1.251 1.00 48.51 O HETATM 1164 O HOH 37 27.374 -26.073 -3.515 1.00 45.58 O HETATM 1165 O HOH 38 13.297 -37.778 -7.217 1.00 56.93 O HETATM 1166 O HOH 39 18.589 -12.850 -1.749 1.00 34.48 O HETATM 1167 O HOH 40 20.702 -14.104 -2.910 1.00 45.77 O HETATM 1168 O HOH 41 4.979 -25.008 6.339 1.00 58.27 O HETATM 1169 O HOH 42 3.804 -6.263 -9.064 1.00 35.02 O HETATM 1170 O HOH 43 -0.265 -11.288 -2.403 1.00 48.31 O HETATM 1171 O HOH 44 10.344 -27.193 -7.293 1.00 40.40 O HETATM 1172 O HOH 45 13.019 -14.743 7.988 1.00 48.85 O HETATM 1173 O HOH 46 7.048 -18.842 5.866 1.00 46.96 O HETATM 1174 O HOH 47 27.251 -19.427 -0.180 1.00 47.94 O HETATM 1175 O HOH 48 10.846 -18.785 -10.405 1.00 33.97 O HETATM 1176 O HOH 49 16.677 -24.043 -7.824 1.00 52.01 O HETATM 1177 O HOH 50 23.323 -8.075 5.422 1.00 55.44 O HETATM 1178 O HOH 51 17.166 -17.502 -12.000 1.00 42.02 O HETATM 1179 O HOH 52 16.916 -36.305 -6.874 1.00 56.46 O HETATM 1180 O HOH 53 3.848 -6.380 -1.879 1.00 42.25 O HETATM 1181 O HOH 54 4.712 -18.389 7.236 1.00 55.99 O HETATM 1182 O HOH 55 19.588 -39.786 -2.502 1.00 54.72 O HETATM 1183 O HOH 56 7.070 -5.815 -14.864 1.00 42.72 O HETATM 1184 O HOH 57 11.273 -20.516 -8.091 1.00 43.60 O HETATM 1185 O HOH 58 14.999 -41.220 -2.225 1.00 54.20 O HETATM 1186 O HOH 59 5.082 -3.743 -8.761 1.00 43.09 O HETATM 1187 O HOH 60 0.911 -21.425 -3.407 1.00 56.23 O HETATM 1188 O HOH 61 24.887 -9.546 -1.442 1.00 65.24 O HETATM 1189 O HOH 62 8.947 0.756 -8.104 1.00 61.19 O HETATM 1190 O HOH 63 6.569 -27.807 -4.319 1.00 50.51 O HETATM 1191 O HOH 64 10.144 -26.075 -9.742 1.00 53.77 O HETATM 1192 O HOH 65 28.778 -21.277 -2.073 1.00 49.58 O HETATM 1193 O HOH 66 15.237 -38.799 -6.478 1.00 55.88 O HETATM 1194 O HOH 67 28.701 -23.445 -3.995 1.00 49.70 O HETATM 1195 O HOH 68 6.435 -3.233 -11.039 1.00 48.22 O HETATM 1196 O HOH 69 26.079 -17.609 -8.533 1.00 57.95 O HETATM 1197 O HOH 70 2.594 -24.618 -2.732 1.00 50.23 O HETATM 1198 O HOH 71 3.537 -3.569 -2.700 1.00 50.25 O HETATM 1199 O HOH 72 26.294 -11.605 4.841 1.00 54.66 O HETATM 1200 O HOH 73 1.366 -6.952 -7.749 1.00 39.49 O HETATM 1201 O HOH 74 19.560 -27.060 -13.485 1.00 45.08 O HETATM 1202 O HOH 75 0.619 -4.579 -6.615 1.00 46.73 O HETATM 1203 C4 UNN A 76 7.223 -10.322 4.621 1.00 0.20 C HETATM 1204 C5 UNN A 76 7.173 -10.732 3.341 1.00 0.10 C HETATM 1205 C6 UNN A 76 7.860 -11.821 2.939 1.00 0.20 C HETATM 1206 N1 UNN A 76 8.639 -12.549 3.842 1.00 -0.20 N HETATM 1207 C2 UNN A 76 8.703 -12.141 5.176 1.00 0.19 C HETATM 1208 N3 UNN A 76 7.984 -11.013 5.568 1.00 -0.20 N HETATM 1209 H2 UNN A 76 8.012 -10.701 6.518 1.00 0.25 H HETATM 1210 S2 UNN A 76 9.656 -13.013 6.332 1.00 -0.29 S HETATM 1211 H1 UNN A 76 9.146 -13.355 3.536 1.00 0.24 H HETATM 1212 O6 UNN A 76 7.832 -12.228 1.776 1.00 -0.41 O HETATM 1213 N7 UNN A 76 6.371 -9.876 2.688 1.00 -0.33 N HETATM 1214 C8 UNN A 76 5.953 -8.967 3.574 1.00 0.17 C HETATM 1215 S8 UNN A 76 4.867 -7.592 3.254 1.00 -0.07 S HETATM 1216 H3 UNN A 76 4.723 -7.073 4.106 1.00 0.13 H HETATM 1217 N9 UNN A 76 6.471 -9.231 4.765 1.00 -0.22 N HETATM 1218 H4 UNN A 76 6.322 -8.697 5.633 1.00 0.24 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1203 1204 1208 1217 CONECT 1204 1203 1205 1213 CONECT 1205 1204 1206 1212 CONECT 1206 1205 1207 1211 CONECT 1207 1206 1208 1210 CONECT 1208 1203 1207 1209 CONECT 1209 1208 CONECT 1210 1207 CONECT 1211 1206 CONECT 1212 1205 CONECT 1213 1204 1214 CONECT 1214 1213 1215 1217 CONECT 1215 1214 1216 CONECT 1216 1215 CONECT 1217 1203 1214 1218 CONECT 1218 1217 MASTER 0 0 0 0 0 0 0 0 1217 1 20 9 END
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Structure:
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Related entries of code: 5e3d
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%
5e3g
RCSB PDB
PDBbind
116aa, >5E3G_1|Chain... at 97%
5em3
RCSB PDB
PDBbind
116aa, >5EM3_1|Chain... at 97%
5epr
RCSB PDB
PDBbind
116aa, >5EPR_1|Chain... at 97%
5eps
RCSB PDB
PDBbind
116aa, >5EPS_1|Chain... at 97%
5eq1
RCSB PDB
PDBbind
116aa, >5EQ1_1|Chain... at 97%
5etb
RCSB PDB
PDBbind
116aa, >5ETB_1|Chain... at 97%
5eva
RCSB PDB
PDBbind
116aa, >5EVA_1|Chain... at 97%
5ewd
RCSB PDB
PDBbind
116aa, >5EWD_1|Chain... at 97%
5ewh
RCSB PDB
PDBbind
116aa, >5EWH_1|Chain... at 97%
5mwg
RCSB PDB
PDBbind
116aa, >5MWG_1|Chains... at 97%
5mwh
RCSB PDB
PDBbind
116aa, >5MWH_1|Chains... at 97%
5mwz
RCSB PDB
PDBbind
116aa, >5MWZ_1|Chain... at 97%
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
5e3d
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human BRPF1 bromodomain
Ligand Name
5JL
EC.Number
E.C.-.-.-.-
Resolution
1.71(Å)
Affinity (Kd/Ki/IC50)
Kd=95uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 5555-5561
Ligand Properties
Formula
C
5
H
4
N
4
OS
2
Molecular Weight
200.241
Exact Mass
199.983
No. of atoms
16
No. of bonds
17
Polar Surface Area
148.22
LOGP Value
0.33 (
Computed with XLOGP3
)
0.60 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
Canonical SMILES
Sc1[nH]c2c(n1)c(=O)[nH]c(=S)[nH]2
InChI String
InChI=1S/C5H4N4OS2/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P55201
Entrez Gene ID
NCBI Entrez Gene ID:
7862
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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