Browse entries in the PDBbind-CN Database
HEADER 5MWH_COMPLEX COMPND 5MWH_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 UWX A 237 64 ATOM 1 N MET A 628 8.473 -7.860 -21.163 1.00 75.18 N ATOM 2 CA MET A 628 8.266 -6.474 -20.765 1.00 75.11 C ATOM 3 C MET A 628 7.030 -5.883 -21.439 1.00 74.72 C ATOM 4 O MET A 628 7.106 -4.853 -22.113 1.00 76.34 O ATOM 5 CB MET A 628 9.498 -5.632 -21.095 1.00 78.73 C ATOM 6 CG MET A 628 10.201 -5.052 -19.877 1.00 80.90 C ATOM 7 SD MET A 628 11.610 -4.021 -20.327 1.00 84.56 S ATOM 8 CE MET A 628 11.092 -3.432 -21.935 1.00 86.93 C ATOM 9 HN3 MET A 628 8.602 -7.908 -22.194 1.00 0.00 H ATOM 10 HN2 MET A 628 7.644 -8.425 -20.890 1.00 0.00 H ATOM 11 HN1 MET A 628 9.320 -8.233 -20.688 1.00 0.00 H ATOM 12 N GLN A 629 5.895 -6.557 -21.270 1.00 76.20 N ATOM 13 CA GLN A 629 4.600 -5.994 -21.645 1.00 72.44 C ATOM 14 C GLN A 629 4.154 -5.121 -20.480 1.00 71.23 C ATOM 15 O GLN A 629 3.576 -5.591 -19.498 1.00 71.14 O ATOM 16 CB GLN A 629 3.592 -7.091 -21.961 1.00 67.96 C ATOM 17 H GLN A 629 5.931 -7.512 -20.859 1.00 0.00 H ATOM 18 N LEU A 630 4.453 -3.831 -20.586 1.00 69.71 N ATOM 19 CA LEU A 630 4.204 -2.886 -19.508 1.00 61.08 C ATOM 20 C LEU A 630 2.705 -2.661 -19.323 1.00 48.30 C ATOM 21 O LEU A 630 1.902 -2.860 -20.241 1.00 47.58 O ATOM 22 CB LEU A 630 4.895 -1.554 -19.812 1.00 58.53 C ATOM 23 CG LEU A 630 6.304 -1.650 -20.405 1.00 63.20 C ATOM 24 CD1 LEU A 630 6.679 -0.353 -21.108 1.00 62.86 C ATOM 25 CD2 LEU A 630 7.322 -1.992 -19.327 1.00 63.68 C ATOM 26 H LEU A 630 4.879 -3.485 -21.469 1.00 0.00 H ATOM 27 N THR A 631 2.329 -2.261 -18.117 1.00 37.41 N ATOM 28 CA THR A 631 0.993 -1.744 -17.860 1.00 37.81 C ATOM 29 C THR A 631 1.109 -0.381 -17.213 1.00 36.30 C ATOM 30 O THR A 631 2.125 -0.066 -16.579 1.00 34.33 O ATOM 31 CB THR A 631 0.156 -2.671 -16.963 1.00 37.65 C ATOM 32 OG1 THR A 631 0.629 -2.611 -15.610 1.00 39.27 O ATOM 33 CG2 THR A 631 0.198 -4.105 -17.468 1.00 47.66 C ATOM 34 HG1 THR A 631 0.082 -3.211 -15.044 1.00 0.00 H ATOM 35 H THR A 631 3.008 -2.318 -17.331 1.00 0.00 H ATOM 36 N PRO A 632 0.078 0.458 -17.337 1.00 31.01 N ATOM 37 CA PRO A 632 0.116 1.756 -16.652 1.00 33.75 C ATOM 38 C PRO A 632 0.287 1.625 -15.148 1.00 35.50 C ATOM 39 O PRO A 632 0.977 2.451 -14.525 1.00 35.41 O ATOM 40 CB PRO A 632 -1.237 2.379 -17.019 1.00 36.15 C ATOM 41 CG PRO A 632 -1.597 1.751 -18.320 1.00 42.15 C ATOM 42 CD PRO A 632 -1.038 0.360 -18.305 1.00 35.16 C ATOM 43 N PHE A 633 -0.310 0.589 -14.550 1.00 33.12 N ATOM 44 CA PHE A 633 -0.177 0.377 -13.112 1.00 34.93 C ATOM 45 C PHE A 633 1.264 0.071 -12.721 1.00 35.80 C ATOM 46 O PHE A 633 1.779 0.622 -11.742 1.00 34.67 O ATOM 47 CB PHE A 633 -1.097 -0.758 -12.658 1.00 36.72 C ATOM 48 CG PHE A 633 -0.921 -1.124 -11.202 1.00 33.85 C ATOM 49 CD1 PHE A 633 -1.315 -0.244 -10.220 1.00 33.23 C ATOM 50 CD2 PHE A 633 -0.358 -2.334 -10.831 1.00 38.90 C ATOM 51 CE1 PHE A 633 -1.148 -0.554 -8.872 1.00 33.51 C ATOM 52 CE2 PHE A 633 -0.188 -2.655 -9.476 1.00 33.45 C ATOM 53 CZ PHE A 633 -0.585 -1.764 -8.515 1.00 34.34 C ATOM 54 H PHE A 633 -0.876 -0.074 -15.117 1.00 0.00 H ATOM 55 N LEU A 634 1.923 -0.829 -13.458 1.00 36.27 N ATOM 56 CA LEU A 634 3.290 -1.209 -13.109 1.00 32.57 C ATOM 57 C LEU A 634 4.256 -0.055 -13.342 1.00 34.10 C ATOM 58 O LEU A 634 5.191 0.143 -12.562 1.00 33.03 O ATOM 59 CB LEU A 634 3.721 -2.440 -13.908 1.00 39.48 C ATOM 60 CG LEU A 634 3.081 -3.772 -13.510 1.00 45.80 C ATOM 61 CD1 LEU A 634 3.303 -4.809 -14.598 1.00 57.21 C ATOM 62 CD2 LEU A 634 3.664 -4.261 -12.195 1.00 44.26 C ATOM 63 H LEU A 634 1.461 -1.261 -14.283 1.00 0.00 H ATOM 64 N ILE A 635 4.045 0.719 -14.409 1.00 33.63 N ATOM 65 CA ILE A 635 4.842 1.923 -14.622 1.00 32.73 C ATOM 66 C ILE A 635 4.677 2.875 -13.446 1.00 31.27 C ATOM 67 O ILE A 635 5.649 3.459 -12.960 1.00 31.61 O ATOM 68 CB ILE A 635 4.449 2.603 -15.948 1.00 32.71 C ATOM 69 CG1 ILE A 635 4.778 1.709 -17.148 1.00 39.35 C ATOM 70 CG2 ILE A 635 5.122 3.960 -16.061 1.00 34.12 C ATOM 71 CD1 ILE A 635 6.252 1.570 -17.408 1.00 39.50 C ATOM 72 H ILE A 635 3.306 0.462 -15.094 1.00 0.00 H ATOM 73 N LEU A 636 3.442 3.041 -12.971 1.00 29.10 N ATOM 74 CA LEU A 636 3.193 3.910 -11.823 1.00 28.52 C ATOM 75 C LEU A 636 3.924 3.414 -10.579 1.00 30.59 C ATOM 76 O LEU A 636 4.520 4.210 -9.840 1.00 28.77 O ATOM 77 CB LEU A 636 1.689 4.006 -11.566 1.00 28.21 C ATOM 78 CG LEU A 636 1.294 4.693 -10.250 1.00 31.50 C ATOM 79 CD1 LEU A 636 1.776 6.121 -10.227 1.00 30.96 C ATOM 80 CD2 LEU A 636 -0.210 4.641 -10.078 1.00 36.34 C ATOM 81 H LEU A 636 2.647 2.546 -13.423 1.00 0.00 H ATOM 82 N LEU A 637 3.911 2.101 -10.342 1.00 27.99 N ATOM 83 CA LEU A 637 4.626 1.566 -9.182 1.00 27.78 C ATOM 84 C LEU A 637 6.127 1.773 -9.319 1.00 28.57 C ATOM 85 O LEU A 637 6.807 2.065 -8.335 1.00 26.58 O ATOM 86 CB LEU A 637 4.328 0.082 -8.995 1.00 28.94 C ATOM 87 CG LEU A 637 2.936 -0.316 -8.496 1.00 30.13 C ATOM 88 CD1 LEU A 637 2.943 -1.774 -8.067 1.00 32.39 C ATOM 89 CD2 LEU A 637 2.487 0.586 -7.366 1.00 29.79 C ATOM 90 H LEU A 637 3.395 1.460 -10.979 1.00 0.00 H ATOM 91 N ARG A 638 6.663 1.628 -10.532 1.00 27.71 N ATOM 92 CA ARG A 638 8.087 1.878 -10.728 1.00 28.99 C ATOM 93 C ARG A 638 8.424 3.332 -10.429 1.00 29.46 C ATOM 94 O ARG A 638 9.403 3.627 -9.733 1.00 28.78 O ATOM 95 CB ARG A 638 8.492 1.508 -12.154 1.00 31.53 C ATOM 96 CG ARG A 638 8.458 0.019 -12.433 1.00 33.34 C ATOM 97 CD ARG A 638 8.679 -0.246 -13.917 1.00 37.51 C ATOM 98 NE ARG A 638 8.840 -1.669 -14.201 1.00 43.92 N ATOM 99 CZ ARG A 638 9.992 -2.326 -14.093 1.00 45.69 C ATOM 100 NH1 ARG A 638 11.090 -1.689 -13.706 1.00 40.63 N ATOM 101 NH2 ARG A 638 10.045 -3.621 -14.372 1.00 48.44 N ATOM 102 HE ARG A 638 8.001 -2.203 -14.507 1.00 0.00 H ATOM 103 HH12 ARG A 638 11.989 -2.206 -13.623 1.00 0.00 H ATOM 104 HH11 ARG A 638 11.052 -0.673 -13.486 1.00 0.00 H ATOM 105 HH22 ARG A 638 10.945 -4.135 -14.288 1.00 0.00 H ATOM 106 HH21 ARG A 638 9.186 -4.123 -14.675 1.00 0.00 H ATOM 107 H ARG A 638 6.068 1.338 -11.334 1.00 0.00 H ATOM 108 N LYS A 639 7.614 4.257 -10.943 1.00 29.63 N ATOM 109 CA LYS A 639 7.839 5.673 -10.668 1.00 30.17 C ATOM 110 C LYS A 639 7.742 5.963 -9.178 1.00 28.00 C ATOM 111 O LYS A 639 8.564 6.702 -8.623 1.00 30.52 O ATOM 112 CB LYS A 639 6.822 6.522 -11.425 1.00 32.08 C ATOM 113 CG LYS A 639 6.975 8.010 -11.202 1.00 34.57 C ATOM 114 CD LYS A 639 5.771 8.774 -11.756 1.00 37.89 C ATOM 115 CE LYS A 639 6.059 10.267 -11.810 1.00 41.66 C ATOM 116 NZ LYS A 639 4.906 11.055 -12.317 1.00 46.15 N ATOM 117 HZ1 LYS A 639 4.669 10.740 -13.280 1.00 0.00 H ATOM 118 HZ2 LYS A 639 4.087 10.910 -11.692 1.00 0.00 H ATOM 119 HZ3 LYS A 639 5.157 12.064 -12.333 1.00 0.00 H ATOM 120 H LYS A 639 6.816 3.968 -11.544 1.00 0.00 H ATOM 121 N THR A 640 6.741 5.382 -8.520 1.00 24.69 N ATOM 122 CA THR A 640 6.547 5.610 -7.090 1.00 26.20 C ATOM 123 C THR A 640 7.720 5.081 -6.284 1.00 23.62 C ATOM 124 O THR A 640 8.196 5.747 -5.357 1.00 25.74 O ATOM 125 CB THR A 640 5.260 4.944 -6.623 1.00 26.10 C ATOM 126 OG1 THR A 640 4.190 5.403 -7.451 1.00 28.43 O ATOM 127 CG2 THR A 640 4.958 5.308 -5.173 1.00 27.06 C ATOM 128 HG1 THR A 640 4.376 5.160 -8.393 1.00 0.00 H ATOM 129 H THR A 640 6.087 4.756 -9.032 1.00 0.00 H ATOM 130 N LEU A 641 8.193 3.877 -6.618 1.00 26.11 N ATOM 131 CA LEU A 641 9.355 3.331 -5.919 1.00 27.97 C ATOM 132 C LEU A 641 10.567 4.243 -6.075 1.00 27.77 C ATOM 133 O LEU A 641 11.280 4.495 -5.095 1.00 29.23 O ATOM 134 CB LEU A 641 9.663 1.918 -6.425 1.00 29.33 C ATOM 135 CG LEU A 641 10.819 1.184 -5.743 1.00 36.14 C ATOM 136 CD1 LEU A 641 10.552 1.036 -4.256 1.00 34.76 C ATOM 137 CD2 LEU A 641 11.052 -0.173 -6.388 1.00 41.63 C ATOM 138 H LEU A 641 7.735 3.329 -7.374 1.00 0.00 H ATOM 139 N GLU A 642 10.808 4.762 -7.289 1.00 26.61 N ATOM 140 CA GLU A 642 11.910 5.711 -7.465 1.00 30.46 C ATOM 141 C GLU A 642 11.703 6.954 -6.602 1.00 33.85 C ATOM 142 O GLU A 642 12.649 7.454 -5.984 1.00 30.47 O ATOM 143 CB GLU A 642 12.075 6.088 -8.941 1.00 35.00 C ATOM 144 CG GLU A 642 12.526 4.930 -9.817 1.00 45.36 C ATOM 145 CD GLU A 642 12.969 5.363 -11.212 1.00 56.26 C ATOM 146 OE1 GLU A 642 13.668 4.573 -11.884 1.00 57.15 O ATOM 147 OE2 GLU A 642 12.624 6.488 -11.636 1.00 55.29 O ATOM 148 H GLU A 642 10.216 4.492 -8.100 1.00 0.00 H ATOM 149 N GLN A 643 10.463 7.442 -6.509 1.00 30.00 N ATOM 150 CA GLN A 643 10.213 8.633 -5.702 1.00 28.08 C ATOM 151 C GLN A 643 10.434 8.367 -4.224 1.00 27.22 C ATOM 152 O GLN A 643 10.916 9.252 -3.508 1.00 31.85 O ATOM 153 CB GLN A 643 8.796 9.154 -5.932 1.00 27.44 C ATOM 154 CG GLN A 643 8.618 9.762 -7.315 1.00 28.05 C ATOM 155 CD GLN A 643 7.154 10.053 -7.604 1.00 32.41 C ATOM 156 OE1 GLN A 643 6.280 9.303 -7.182 1.00 36.45 O ATOM 157 NE2 GLN A 643 6.884 11.148 -8.312 1.00 36.57 N ATOM 158 HE22 GLN A 643 7.659 11.754 -8.649 1.00 0.00 H ATOM 159 HE21 GLN A 643 5.898 11.397 -8.528 1.00 0.00 H ATOM 160 H GLN A 643 9.679 6.976 -7.009 1.00 0.00 H ATOM 161 N LEU A 644 10.122 7.156 -3.758 1.00 26.16 N ATOM 162 CA LEU A 644 10.374 6.816 -2.360 1.00 27.17 C ATOM 163 C LEU A 644 11.869 6.683 -2.093 1.00 29.09 C ATOM 164 O LEU A 644 12.368 7.156 -1.066 1.00 29.49 O ATOM 165 CB LEU A 644 9.646 5.524 -2.003 1.00 26.52 C ATOM 166 CG LEU A 644 8.112 5.575 -1.988 1.00 25.75 C ATOM 167 CD1 LEU A 644 7.556 4.175 -1.850 1.00 28.07 C ATOM 168 CD2 LEU A 644 7.620 6.457 -0.839 1.00 27.01 C ATOM 169 H LEU A 644 9.697 6.451 -4.393 1.00 0.00 H ATOM 170 N GLN A 645 12.609 6.067 -3.021 1.00 26.94 N ATOM 171 CA GLN A 645 14.045 5.911 -2.795 1.00 28.89 C ATOM 172 C GLN A 645 14.775 7.247 -2.800 1.00 32.20 C ATOM 173 O GLN A 645 15.795 7.387 -2.115 1.00 34.62 O ATOM 174 CB GLN A 645 14.656 4.982 -3.844 1.00 32.87 C ATOM 175 CG GLN A 645 14.189 3.562 -3.699 1.00 36.54 C ATOM 176 CD GLN A 645 15.201 2.567 -4.211 1.00 41.31 C ATOM 177 OE1 GLN A 645 14.927 1.825 -5.151 1.00 41.74 O ATOM 178 NE2 GLN A 645 16.373 2.526 -3.574 1.00 41.94 N ATOM 179 HE22 GLN A 645 16.558 3.175 -2.783 1.00 0.00 H ATOM 180 HE21 GLN A 645 17.101 1.845 -3.869 1.00 0.00 H ATOM 181 H GLN A 645 12.169 5.704 -3.891 1.00 0.00 H ATOM 182 N GLU A 646 14.295 8.218 -3.578 1.00 31.18 N ATOM 183 CA GLU A 646 14.874 9.559 -3.564 1.00 30.45 C ATOM 184 C GLU A 646 14.769 10.204 -2.189 1.00 32.19 C ATOM 185 O GLU A 646 15.607 11.039 -1.831 1.00 36.61 O ATOM 186 CB GLU A 646 14.177 10.451 -4.590 1.00 42.83 C ATOM 187 CG GLU A 646 14.400 10.080 -6.044 1.00 54.23 C ATOM 188 CD GLU A 646 13.476 10.848 -6.978 1.00 65.75 C ATOM 189 OE1 GLU A 646 12.798 11.789 -6.508 1.00 68.92 O ATOM 190 OE2 GLU A 646 13.419 10.505 -8.178 1.00 69.09 O ATOM 191 H GLU A 646 13.492 8.016 -4.208 1.00 0.00 H ATOM 192 N LYS A 647 13.742 9.854 -1.419 1.00 29.81 N ATOM 193 CA LYS A 647 13.617 10.393 -0.067 1.00 29.91 C ATOM 194 C LYS A 647 14.636 9.786 0.886 1.00 34.46 C ATOM 195 O LYS A 647 14.921 10.380 1.934 1.00 33.69 O ATOM 196 CB LYS A 647 12.208 10.155 0.476 1.00 34.07 C ATOM 197 CG LYS A 647 11.081 10.715 -0.397 1.00 30.58 C ATOM 198 CD LYS A 647 11.249 12.209 -0.610 1.00 32.10 C ATOM 199 CE LYS A 647 10.033 12.835 -1.289 1.00 37.62 C ATOM 200 NZ LYS A 647 10.280 14.281 -1.572 1.00 40.89 N ATOM 201 HZ1 LYS A 647 10.464 14.781 -0.679 1.00 0.00 H ATOM 202 HZ2 LYS A 647 11.104 14.374 -2.200 1.00 0.00 H ATOM 203 HZ3 LYS A 647 9.443 14.691 -2.034 1.00 0.00 H ATOM 204 H LYS A 647 13.025 9.194 -1.781 1.00 0.00 H ATOM 205 N ASP A 648 15.177 8.615 0.552 1.00 30.24 N ATOM 206 CA ASP A 648 16.175 7.934 1.383 1.00 28.81 C ATOM 207 C ASP A 648 17.552 8.359 0.886 1.00 26.82 C ATOM 208 O ASP A 648 18.248 7.632 0.175 1.00 32.77 O ATOM 209 CB ASP A 648 15.967 6.425 1.316 1.00 33.85 C ATOM 210 CG ASP A 648 17.064 5.621 2.015 1.00 34.52 C ATOM 211 OD1 ASP A 648 17.750 6.144 2.928 1.00 33.64 O ATOM 212 OD2 ASP A 648 17.236 4.444 1.620 1.00 32.46 O ATOM 213 H ASP A 648 14.879 8.164 -0.337 1.00 0.00 H ATOM 214 N THR A 649 17.928 9.590 1.240 1.00 30.80 N ATOM 215 CA THR A 649 19.131 10.178 0.661 1.00 33.73 C ATOM 216 C THR A 649 20.398 9.490 1.149 1.00 33.85 C ATOM 217 O THR A 649 21.416 9.531 0.452 1.00 33.10 O ATOM 218 CB THR A 649 19.203 11.678 0.962 1.00 34.31 C ATOM 219 OG1 THR A 649 19.244 11.881 2.378 1.00 33.58 O ATOM 220 CG2 THR A 649 17.987 12.398 0.395 1.00 38.24 C ATOM 221 HG1 THR A 649 18.427 11.501 2.788 1.00 0.00 H ATOM 222 H THR A 649 17.364 10.129 1.928 1.00 0.00 H ATOM 223 N GLY A 650 20.362 8.853 2.317 1.00 30.60 N ATOM 224 CA GLY A 650 21.536 8.120 2.746 1.00 30.23 C ATOM 225 C GLY A 650 21.599 6.699 2.238 1.00 34.50 C ATOM 226 O GLY A 650 22.549 5.976 2.557 1.00 31.16 O ATOM 227 H GLY A 650 19.508 8.881 2.910 1.00 0.00 H ATOM 228 N ASN A 651 20.591 6.279 1.461 1.00 30.90 N ATOM 229 CA ASN A 651 20.487 4.921 0.920 1.00 29.01 C ATOM 230 C ASN A 651 20.521 3.857 2.010 1.00 28.22 C ATOM 231 O ASN A 651 20.955 2.729 1.773 1.00 32.08 O ATOM 232 CB ASN A 651 21.574 4.646 -0.127 1.00 34.54 C ATOM 233 CG ASN A 651 21.372 5.455 -1.398 1.00 29.04 C ATOM 234 OD1 ASN A 651 20.293 6.006 -1.631 1.00 33.94 O ATOM 235 ND2 ASN A 651 22.406 5.531 -2.225 1.00 36.61 N ATOM 236 HD22 ASN A 651 23.297 5.050 -1.988 1.00 0.00 H ATOM 237 HD21 ASN A 651 22.325 6.071 -3.110 1.00 0.00 H ATOM 238 H ASN A 651 19.838 6.957 1.228 1.00 0.00 H ATOM 239 N ILE A 652 20.065 4.192 3.221 1.00 28.15 N ATOM 240 CA ILE A 652 20.129 3.217 4.309 1.00 28.00 C ATOM 241 C ILE A 652 19.021 2.178 4.228 1.00 25.79 C ATOM 242 O ILE A 652 19.109 1.142 4.899 1.00 28.53 O ATOM 243 CB ILE A 652 20.113 3.911 5.686 1.00 28.37 C ATOM 244 CG1 ILE A 652 18.808 4.685 5.883 1.00 27.32 C ATOM 245 CG2 ILE A 652 21.319 4.836 5.842 1.00 31.28 C ATOM 246 CD1 ILE A 652 18.631 5.172 7.306 1.00 32.79 C ATOM 247 H ILE A 652 19.668 5.139 3.388 1.00 0.00 H ATOM 248 N PHE A 653 18.008 2.389 3.382 1.00 26.22 N ATOM 249 CA PHE A 653 16.958 1.400 3.176 1.00 26.29 C ATOM 250 C PHE A 653 17.045 0.750 1.803 1.00 28.86 C ATOM 251 O PHE A 653 16.098 0.078 1.381 1.00 28.84 O ATOM 252 CB PHE A 653 15.582 2.041 3.374 1.00 24.31 C ATOM 253 CG PHE A 653 15.419 2.694 4.720 1.00 25.36 C ATOM 254 CD1 PHE A 653 15.351 1.928 5.861 1.00 25.19 C ATOM 255 CD2 PHE A 653 15.344 4.075 4.831 1.00 26.36 C ATOM 256 CE1 PHE A 653 15.220 2.522 7.111 1.00 24.88 C ATOM 257 CE2 PHE A 653 15.197 4.680 6.076 1.00 27.59 C ATOM 258 CZ PHE A 653 15.148 3.907 7.209 1.00 25.65 C ATOM 259 H PHE A 653 17.968 3.285 2.856 1.00 0.00 H ATOM 260 N SER A 654 18.170 0.925 1.107 1.00 26.36 N ATOM 261 CA SER A 654 18.277 0.468 -0.272 1.00 27.82 C ATOM 262 C SER A 654 18.409 -1.045 -0.361 1.00 31.63 C ATOM 263 O SER A 654 17.940 -1.646 -1.330 1.00 38.57 O ATOM 264 CB SER A 654 19.468 1.147 -0.955 1.00 32.40 C ATOM 265 OG SER A 654 20.678 0.856 -0.275 1.00 36.35 O ATOM 266 HG SER A 654 20.618 1.183 0.658 1.00 0.00 H ATOM 267 H SER A 654 18.982 1.395 1.556 1.00 0.00 H ATOM 268 N GLU A 655 19.033 -1.673 0.623 1.00 31.85 N ATOM 269 CA GLU A 655 19.373 -3.083 0.587 1.00 34.04 C ATOM 270 C GLU A 655 18.965 -3.718 1.910 1.00 33.54 C ATOM 271 O GLU A 655 18.745 -3.008 2.896 1.00 32.44 O ATOM 272 CB GLU A 655 20.880 -3.273 0.343 1.00 37.97 C ATOM 273 CG GLU A 655 21.351 -2.766 -1.007 1.00 51.35 C ATOM 274 CD GLU A 655 22.852 -2.553 -1.062 1.00 64.34 C ATOM 275 OE1 GLU A 655 23.333 -1.526 -0.535 1.00 70.97 O ATOM 276 OE2 GLU A 655 23.552 -3.421 -1.624 1.00 69.05 O ATOM 277 H GLU A 655 19.294 -1.126 1.468 1.00 0.00 H ATOM 278 N PRO A 656 18.841 -5.047 1.952 1.00 31.05 N ATOM 279 CA PRO A 656 18.473 -5.704 3.213 1.00 33.17 C ATOM 280 C PRO A 656 19.430 -5.342 4.334 1.00 35.19 C ATOM 281 O PRO A 656 20.642 -5.233 4.132 1.00 34.61 O ATOM 282 CB PRO A 656 18.560 -7.196 2.877 1.00 34.64 C ATOM 283 CG PRO A 656 18.364 -7.271 1.412 1.00 34.79 C ATOM 284 CD PRO A 656 18.931 -6.007 0.839 1.00 39.54 C ATOM 285 N VAL A 657 18.871 -5.142 5.522 1.00 32.18 N ATOM 286 CA VAL A 657 19.684 -5.008 6.726 1.00 35.08 C ATOM 287 C VAL A 657 20.637 -6.198 6.755 1.00 36.01 C ATOM 288 O VAL A 657 20.191 -7.352 6.678 1.00 40.45 O ATOM 289 CB VAL A 657 18.803 -4.937 7.979 1.00 34.08 C ATOM 290 CG1 VAL A 657 19.654 -4.976 9.230 1.00 35.44 C ATOM 291 CG2 VAL A 657 17.934 -3.670 7.952 1.00 33.54 C ATOM 292 H VAL A 657 17.835 -5.080 5.595 1.00 0.00 H ATOM 293 N PRO A 658 21.950 -5.970 6.818 1.00 39.98 N ATOM 294 CA PRO A 658 22.897 -7.084 6.676 1.00 37.89 C ATOM 295 C PRO A 658 22.922 -7.968 7.910 1.00 44.57 C ATOM 296 O PRO A 658 23.494 -7.599 8.940 1.00 46.13 O ATOM 297 CB PRO A 658 24.238 -6.376 6.449 1.00 38.86 C ATOM 298 CG PRO A 658 24.089 -5.066 7.148 1.00 39.60 C ATOM 299 CD PRO A 658 22.625 -4.679 7.028 1.00 35.07 C ATOM 300 N LEU A 659 22.298 -9.143 7.805 1.00 45.11 N ATOM 301 CA LEU A 659 22.141 -10.019 8.961 1.00 45.32 C ATOM 302 C LEU A 659 23.484 -10.428 9.549 1.00 55.22 C ATOM 303 O LEU A 659 23.574 -10.715 10.747 1.00 55.86 O ATOM 304 CB LEU A 659 21.329 -11.249 8.563 1.00 48.40 C ATOM 305 CG LEU A 659 19.987 -10.918 7.902 1.00 52.95 C ATOM 306 CD1 LEU A 659 19.302 -12.178 7.392 1.00 55.92 C ATOM 307 CD2 LEU A 659 19.087 -10.160 8.868 1.00 48.30 C ATOM 308 H LEU A 659 21.917 -9.439 6.884 1.00 0.00 H ATOM 309 N SER A 660 24.536 -10.452 8.728 1.00 57.00 N ATOM 310 CA SER A 660 25.869 -10.747 9.241 1.00 57.97 C ATOM 311 C SER A 660 26.318 -9.692 10.244 1.00 57.43 C ATOM 312 O SER A 660 26.898 -10.021 11.286 1.00 63.20 O ATOM 313 CB SER A 660 26.863 -10.842 8.086 1.00 59.54 C ATOM 314 OG SER A 660 27.067 -9.571 7.493 1.00 62.28 O ATOM 315 HG SER A 660 27.714 -9.656 6.748 1.00 0.00 H ATOM 316 H SER A 660 24.404 -10.259 7.715 1.00 0.00 H ATOM 317 N GLU A 661 26.060 -8.417 9.948 1.00 56.46 N ATOM 318 CA GLU A 661 26.427 -7.341 10.862 1.00 56.36 C ATOM 319 C GLU A 661 25.513 -7.263 12.076 1.00 51.81 C ATOM 320 O GLU A 661 25.918 -6.714 13.106 1.00 52.14 O ATOM 321 CB GLU A 661 26.411 -5.997 10.131 1.00 57.96 C ATOM 322 CG GLU A 661 27.386 -5.900 8.968 1.00 58.02 C ATOM 323 CD GLU A 661 28.675 -5.189 9.339 1.00 62.63 C ATOM 324 OE1 GLU A 661 28.905 -4.958 10.548 1.00 59.82 O ATOM 325 OE2 GLU A 661 29.455 -4.856 8.419 1.00 62.93 O ATOM 326 H GLU A 661 25.589 -8.186 9.050 1.00 0.00 H ATOM 327 N VAL A 662 24.296 -7.785 11.979 1.00 55.10 N ATOM 328 CA VAL A 662 23.341 -7.732 13.081 1.00 50.83 C ATOM 329 C VAL A 662 22.745 -9.126 13.257 1.00 54.53 C ATOM 330 O VAL A 662 21.758 -9.483 12.595 1.00 53.16 O ATOM 331 CB VAL A 662 22.280 -6.645 12.834 1.00 54.72 C ATOM 332 CG1 VAL A 662 21.805 -6.679 11.403 1.00 50.35 C ATOM 333 CG2 VAL A 662 21.127 -6.791 13.779 1.00 53.63 C ATOM 334 H VAL A 662 24.015 -8.246 11.090 1.00 0.00 H ATOM 335 N PRO A 663 23.331 -9.956 14.126 1.00 56.99 N ATOM 336 CA PRO A 663 22.924 -11.367 14.200 1.00 52.04 C ATOM 337 C PRO A 663 21.614 -11.615 14.924 1.00 46.88 C ATOM 338 O PRO A 663 21.106 -12.743 14.863 1.00 54.90 O ATOM 339 CB PRO A 663 24.090 -12.029 14.961 1.00 53.19 C ATOM 340 CG PRO A 663 25.197 -11.009 14.979 1.00 57.30 C ATOM 341 CD PRO A 663 24.516 -9.681 14.950 1.00 56.12 C ATOM 342 N ASP A 664 21.057 -10.627 15.620 1.00 49.01 N ATOM 343 CA ASP A 664 19.797 -10.805 16.329 1.00 47.64 C ATOM 344 C ASP A 664 18.620 -10.159 15.607 1.00 46.79 C ATOM 345 O ASP A 664 17.512 -10.138 16.152 1.00 51.42 O ATOM 346 CB ASP A 664 19.900 -10.247 17.750 1.00 53.05 C ATOM 347 CG ASP A 664 19.886 -8.731 17.784 1.00 56.13 C ATOM 348 OD1 ASP A 664 20.343 -8.102 16.808 1.00 56.22 O ATOM 349 OD2 ASP A 664 19.418 -8.166 18.792 1.00 57.44 O ATOM 350 H ASP A 664 21.534 -9.704 15.659 1.00 0.00 H ATOM 351 N TYR A 665 18.836 -9.633 14.399 1.00 47.18 N ATOM 352 CA TYR A 665 17.781 -8.882 13.722 1.00 44.25 C ATOM 353 C TYR A 665 16.536 -9.739 13.524 1.00 42.97 C ATOM 354 O TYR A 665 15.417 -9.307 13.826 1.00 43.08 O ATOM 355 CB TYR A 665 18.296 -8.345 12.387 1.00 42.45 C ATOM 356 CG TYR A 665 17.371 -7.348 11.723 1.00 36.28 C ATOM 357 CD1 TYR A 665 17.245 -6.054 12.212 1.00 31.31 C ATOM 358 CD2 TYR A 665 16.636 -7.697 10.594 1.00 40.70 C ATOM 359 CE1 TYR A 665 16.391 -5.136 11.610 1.00 36.02 C ATOM 360 CE2 TYR A 665 15.786 -6.789 9.983 1.00 36.98 C ATOM 361 CZ TYR A 665 15.667 -5.512 10.494 1.00 37.83 C ATOM 362 OH TYR A 665 14.825 -4.607 9.890 1.00 34.07 O ATOM 363 HH TYR A 665 14.860 -3.748 10.380 1.00 0.00 H ATOM 364 H TYR A 665 19.760 -9.758 13.938 1.00 0.00 H ATOM 365 N LEU A 666 16.711 -10.973 13.047 1.00 44.56 N ATOM 366 CA LEU A 666 15.559 -11.832 12.794 1.00 49.75 C ATOM 367 C LEU A 666 14.892 -12.333 14.068 1.00 54.36 C ATOM 368 O LEU A 666 13.785 -12.878 13.987 1.00 54.33 O ATOM 369 CB LEU A 666 15.965 -13.020 11.922 1.00 53.63 C ATOM 370 CG LEU A 666 16.423 -12.667 10.505 1.00 56.60 C ATOM 371 CD1 LEU A 666 16.480 -13.907 9.625 1.00 58.90 C ATOM 372 CD2 LEU A 666 15.516 -11.614 9.890 1.00 57.29 C ATOM 373 H LEU A 666 17.671 -11.323 12.855 1.00 0.00 H ATOM 374 N ASP A 667 15.526 -12.173 15.234 1.00 51.25 N ATOM 375 CA ASP A 667 14.848 -12.522 16.478 1.00 54.82 C ATOM 376 C ASP A 667 13.669 -11.598 16.744 1.00 53.98 C ATOM 377 O ASP A 667 12.698 -12.004 17.394 1.00 57.83 O ATOM 378 CB ASP A 667 15.825 -12.476 17.655 1.00 57.39 C ATOM 379 CG ASP A 667 17.000 -13.417 17.477 1.00 63.81 C ATOM 380 OD1 ASP A 667 16.827 -14.487 16.858 1.00 66.56 O ATOM 381 OD2 ASP A 667 18.103 -13.086 17.961 1.00 70.54 O ATOM 382 H ASP A 667 16.497 -11.802 15.254 1.00 0.00 H ATOM 383 N HIS A 668 13.727 -10.365 16.243 1.00 50.19 N ATOM 384 CA HIS A 668 12.680 -9.382 16.481 1.00 47.73 C ATOM 385 C HIS A 668 11.870 -9.028 15.244 1.00 45.05 C ATOM 386 O HIS A 668 10.694 -8.683 15.378 1.00 44.99 O ATOM 387 CB HIS A 668 13.281 -8.093 17.056 1.00 55.88 C ATOM 388 CG HIS A 668 14.048 -8.298 18.326 1.00 63.01 C ATOM 389 ND1 HIS A 668 15.416 -8.469 18.350 1.00 64.05 N ATOM 390 CD2 HIS A 668 13.638 -8.364 19.614 1.00 62.49 C ATOM 391 CE1 HIS A 668 15.816 -8.628 19.599 1.00 64.32 C ATOM 392 NE2 HIS A 668 14.756 -8.570 20.386 1.00 65.17 N ATOM 393 H HIS A 668 14.547 -10.096 15.663 1.00 0.00 H ATOM 394 N ILE A 669 12.459 -9.101 14.053 1.00 42.80 N ATOM 395 CA ILE A 669 11.810 -8.645 12.827 1.00 36.14 C ATOM 396 C ILE A 669 11.348 -9.867 12.041 1.00 41.25 C ATOM 397 O ILE A 669 12.169 -10.651 11.549 1.00 43.19 O ATOM 398 CB ILE A 669 12.742 -7.760 11.990 1.00 37.56 C ATOM 399 CG1 ILE A 669 13.198 -6.549 12.809 1.00 37.97 C ATOM 400 CG2 ILE A 669 12.039 -7.297 10.721 1.00 36.35 C ATOM 401 CD1 ILE A 669 12.041 -5.751 13.376 1.00 38.64 C ATOM 402 H ILE A 669 13.418 -9.498 13.993 1.00 0.00 H ATOM 403 N LYS A 670 10.024 -10.013 11.915 1.00 39.43 N ATOM 404 CA LYS A 670 9.451 -11.198 11.284 1.00 41.28 C ATOM 405 C LYS A 670 9.661 -11.186 9.774 1.00 40.80 C ATOM 406 O LYS A 670 10.007 -12.215 9.182 1.00 41.50 O ATOM 407 CB LYS A 670 7.961 -11.298 11.615 1.00 46.41 C ATOM 408 CG LYS A 670 7.643 -11.235 13.099 1.00 58.94 C ATOM 409 H LYS A 670 9.392 -9.269 12.273 1.00 0.00 H ATOM 410 N LYS A 671 9.456 -10.038 9.130 1.00 37.94 N ATOM 411 CA LYS A 671 9.579 -9.926 7.676 1.00 36.60 C ATOM 412 C LYS A 671 10.409 -8.697 7.331 1.00 33.91 C ATOM 413 O LYS A 671 9.871 -7.585 7.215 1.00 34.55 O ATOM 414 CB LYS A 671 8.205 -9.869 7.013 1.00 37.78 C ATOM 415 CG LYS A 671 8.265 -9.830 5.494 1.00 40.64 C ATOM 416 CD LYS A 671 6.879 -9.819 4.867 1.00 43.89 C ATOM 417 CE LYS A 671 6.987 -9.737 3.342 1.00 43.53 C ATOM 418 NZ LYS A 671 5.678 -9.523 2.664 1.00 43.39 N ATOM 419 HZ1 LYS A 671 5.039 -10.312 2.889 1.00 0.00 H ATOM 420 HZ2 LYS A 671 5.259 -8.631 2.995 1.00 0.00 H ATOM 421 HZ3 LYS A 671 5.825 -9.477 1.635 1.00 0.00 H ATOM 422 H LYS A 671 9.200 -9.193 9.679 1.00 0.00 H ATOM 423 N PRO A 672 11.724 -8.859 7.164 1.00 35.76 N ATOM 424 CA PRO A 672 12.562 -7.732 6.736 1.00 31.68 C ATOM 425 C PRO A 672 12.120 -7.194 5.383 1.00 33.37 C ATOM 426 O PRO A 672 11.544 -7.910 4.557 1.00 34.50 O ATOM 427 CB PRO A 672 13.971 -8.340 6.653 1.00 34.06 C ATOM 428 CG PRO A 672 13.915 -9.563 7.509 1.00 38.86 C ATOM 429 CD PRO A 672 12.511 -10.079 7.411 1.00 37.02 C ATOM 430 N MET A 673 12.392 -5.913 5.158 1.00 27.26 N ATOM 431 CA MET A 673 12.041 -5.311 3.879 1.00 29.03 C ATOM 432 C MET A 673 12.997 -4.167 3.576 1.00 28.71 C ATOM 433 O MET A 673 13.560 -3.542 4.481 1.00 29.02 O ATOM 434 CB MET A 673 10.582 -4.831 3.881 1.00 27.39 C ATOM 435 CG MET A 673 10.024 -4.414 2.507 1.00 30.17 C ATOM 436 SD MET A 673 10.251 -5.626 1.179 1.00 32.00 S ATOM 437 CE MET A 673 9.433 -7.051 1.899 1.00 35.29 C ATOM 438 H MET A 673 12.855 -5.341 5.894 1.00 0.00 H ATOM 439 N ASP A 674 13.173 -3.904 2.288 1.00 29.26 N ATOM 440 CA ASP A 674 14.065 -2.863 1.805 1.00 27.70 C ATOM 441 C ASP A 674 13.645 -2.554 0.378 1.00 26.89 C ATOM 442 O ASP A 674 12.864 -3.298 -0.223 1.00 25.62 O ATOM 443 CB ASP A 674 15.525 -3.318 1.848 1.00 25.03 C ATOM 444 CG ASP A 674 15.757 -4.505 0.962 1.00 32.07 C ATOM 445 OD1 ASP A 674 15.449 -5.631 1.392 1.00 37.84 O ATOM 446 OD2 ASP A 674 16.175 -4.306 -0.197 1.00 33.41 O ATOM 447 H ASP A 674 12.648 -4.469 1.591 1.00 0.00 H ATOM 448 N PHE A 675 14.202 -1.470 -0.173 1.00 27.33 N ATOM 449 CA PHE A 675 13.796 -1.039 -1.510 1.00 25.02 C ATOM 450 C PHE A 675 14.290 -1.978 -2.604 1.00 26.25 C ATOM 451 O PHE A 675 13.627 -2.104 -3.638 1.00 31.31 O ATOM 452 CB PHE A 675 14.285 0.377 -1.797 1.00 27.46 C ATOM 453 CG PHE A 675 13.548 1.447 -1.036 1.00 29.31 C ATOM 454 CD1 PHE A 675 12.165 1.526 -1.064 1.00 28.19 C ATOM 455 CD2 PHE A 675 14.253 2.395 -0.307 1.00 27.68 C ATOM 456 CE1 PHE A 675 11.504 2.526 -0.360 1.00 31.48 C ATOM 457 CE2 PHE A 675 13.598 3.392 0.394 1.00 26.89 C ATOM 458 CZ PHE A 675 12.229 3.461 0.372 1.00 26.06 C ATOM 459 H PHE A 675 14.924 -0.934 0.349 1.00 0.00 H ATOM 460 N PHE A 676 15.451 -2.616 -2.427 1.00 28.52 N ATOM 461 CA PHE A 676 15.900 -3.578 -3.431 1.00 32.72 C ATOM 462 C PHE A 676 14.945 -4.761 -3.508 1.00 34.16 C ATOM 463 O PHE A 676 14.520 -5.165 -4.597 1.00 33.74 O ATOM 464 CB PHE A 676 17.318 -4.050 -3.114 1.00 35.42 C ATOM 465 CG PHE A 676 17.790 -5.159 -3.993 1.00 45.21 C ATOM 466 CD1 PHE A 676 18.155 -4.904 -5.296 1.00 42.70 C ATOM 467 CD2 PHE A 676 17.853 -6.460 -3.519 1.00 52.56 C ATOM 468 CE1 PHE A 676 18.593 -5.927 -6.121 1.00 48.52 C ATOM 469 CE2 PHE A 676 18.288 -7.489 -4.339 1.00 52.85 C ATOM 470 CZ PHE A 676 18.655 -7.220 -5.637 1.00 49.75 C ATOM 471 H PHE A 676 16.029 -2.430 -1.583 1.00 0.00 H ATOM 472 N THR A 677 14.586 -5.320 -2.352 1.00 30.68 N ATOM 473 CA THR A 677 13.613 -6.402 -2.304 1.00 30.12 C ATOM 474 C THR A 677 12.296 -5.980 -2.940 1.00 34.39 C ATOM 475 O THR A 677 11.680 -6.753 -3.686 1.00 36.30 O ATOM 476 CB THR A 677 13.421 -6.844 -0.855 1.00 35.07 C ATOM 477 OG1 THR A 677 14.665 -7.371 -0.372 1.00 36.74 O ATOM 478 CG2 THR A 677 12.344 -7.916 -0.747 1.00 37.72 C ATOM 479 HG1 THR A 677 14.933 -8.144 -0.929 1.00 0.00 H ATOM 480 H THR A 677 15.010 -4.976 -1.467 1.00 0.00 H ATOM 481 N MET A 678 11.864 -4.745 -2.686 1.00 29.90 N ATOM 482 CA MET A 678 10.649 -4.259 -3.325 1.00 29.89 C ATOM 483 C MET A 678 10.819 -4.168 -4.836 1.00 31.38 C ATOM 484 O MET A 678 9.894 -4.497 -5.587 1.00 30.80 O ATOM 485 CB MET A 678 10.244 -2.897 -2.755 1.00 26.08 C ATOM 486 CG MET A 678 9.656 -2.933 -1.336 1.00 26.55 C ATOM 487 SD MET A 678 9.059 -1.312 -0.856 1.00 26.91 S ATOM 488 CE MET A 678 7.504 -1.205 -1.771 1.00 30.64 C ATOM 489 H MET A 678 12.393 -4.131 -2.034 1.00 0.00 H ATOM 490 N LYS A 679 11.998 -3.734 -5.305 1.00 28.91 N ATOM 491 CA LYS A 679 12.232 -3.656 -6.749 1.00 29.08 C ATOM 492 C LYS A 679 12.237 -5.044 -7.378 1.00 33.30 C ATOM 493 O LYS A 679 11.712 -5.236 -8.482 1.00 36.28 O ATOM 494 CB LYS A 679 13.554 -2.941 -7.046 1.00 29.88 C ATOM 495 CG LYS A 679 13.903 -2.860 -8.537 1.00 37.58 C ATOM 496 CD LYS A 679 13.369 -1.585 -9.175 1.00 48.42 C ATOM 497 CE LYS A 679 13.876 -1.409 -10.612 1.00 58.83 C ATOM 498 NZ LYS A 679 15.340 -1.127 -10.694 1.00 57.22 N ATOM 499 HZ1 LYS A 679 15.552 -0.250 -10.178 1.00 0.00 H ATOM 500 HZ2 LYS A 679 15.868 -1.916 -10.270 1.00 0.00 H ATOM 501 HZ3 LYS A 679 15.616 -1.019 -11.691 1.00 0.00 H ATOM 502 H LYS A 679 12.748 -3.452 -4.642 1.00 0.00 H ATOM 503 N GLN A 680 12.844 -6.014 -6.690 1.00 31.35 N ATOM 504 CA GLN A 680 12.853 -7.392 -7.165 1.00 37.08 C ATOM 505 C GLN A 680 11.443 -7.959 -7.238 1.00 36.42 C ATOM 506 O GLN A 680 11.087 -8.641 -8.210 1.00 38.14 O ATOM 507 CB GLN A 680 13.731 -8.239 -6.242 1.00 32.72 C ATOM 508 CG GLN A 680 15.201 -7.876 -6.327 1.00 34.11 C ATOM 509 CD GLN A 680 15.838 -8.352 -7.614 1.00 47.00 C ATOM 510 OE1 GLN A 680 15.672 -7.739 -8.668 1.00 47.99 O ATOM 511 NE2 GLN A 680 16.569 -9.459 -7.536 1.00 51.77 N ATOM 512 HE22 GLN A 680 16.682 -9.944 -6.623 1.00 0.00 H ATOM 513 HE21 GLN A 680 17.028 -9.840 -8.388 1.00 0.00 H ATOM 514 H GLN A 680 13.321 -5.781 -5.796 1.00 0.00 H ATOM 515 N ASN A 681 10.632 -7.705 -6.208 1.00 35.69 N ATOM 516 CA ASN A 681 9.236 -8.120 -6.261 1.00 35.41 C ATOM 517 C ASN A 681 8.530 -7.482 -7.448 1.00 38.20 C ATOM 518 O ASN A 681 7.835 -8.167 -8.206 1.00 38.37 O ATOM 519 CB ASN A 681 8.527 -7.765 -4.957 1.00 35.49 C ATOM 520 CG ASN A 681 9.029 -8.584 -3.782 1.00 36.31 C ATOM 521 OD1 ASN A 681 9.609 -9.655 -3.966 1.00 39.90 O ATOM 522 ND2 ASN A 681 8.826 -8.078 -2.574 1.00 34.26 N ATOM 523 HD22 ASN A 681 8.331 -7.170 -2.467 1.00 0.00 H ATOM 524 HD21 ASN A 681 9.162 -8.589 -1.733 1.00 0.00 H ATOM 525 H ASN A 681 10.996 -7.211 -5.368 1.00 0.00 H ATOM 526 N LEU A 682 8.731 -6.176 -7.643 1.00 33.27 N ATOM 527 CA LEU A 682 8.109 -5.468 -8.763 1.00 37.98 C ATOM 528 C LEU A 682 8.546 -6.041 -10.110 1.00 36.86 C ATOM 529 O LEU A 682 7.713 -6.281 -10.995 1.00 41.47 O ATOM 530 CB LEU A 682 8.442 -3.977 -8.666 1.00 38.91 C ATOM 531 CG LEU A 682 7.367 -2.932 -8.978 1.00 44.48 C ATOM 532 CD1 LEU A 682 7.974 -1.536 -8.932 1.00 42.74 C ATOM 533 CD2 LEU A 682 6.717 -3.185 -10.319 1.00 51.38 C ATOM 534 H LEU A 682 9.342 -5.651 -6.985 1.00 0.00 H ATOM 535 N GLU A 683 9.853 -6.259 -10.303 1.00 31.91 N ATOM 536 CA GLU A 683 10.306 -6.772 -11.590 1.00 35.35 C ATOM 537 C GLU A 683 9.873 -8.216 -11.822 1.00 38.74 C ATOM 538 O GLU A 683 9.777 -8.645 -12.976 1.00 43.11 O ATOM 539 CB GLU A 683 11.828 -6.647 -11.717 1.00 38.89 C ATOM 540 CG GLU A 683 12.304 -5.203 -11.834 1.00 45.19 C ATOM 541 CD GLU A 683 13.708 -5.085 -12.387 1.00 61.56 C ATOM 542 OE1 GLU A 683 13.865 -4.487 -13.472 1.00 70.76 O ATOM 543 OE2 GLU A 683 14.654 -5.590 -11.746 1.00 64.79 O ATOM 544 H GLU A 683 10.537 -6.065 -9.544 1.00 0.00 H ATOM 545 N ALA A 684 9.588 -8.970 -10.763 1.00 34.92 N ATOM 546 CA ALA A 684 9.024 -10.305 -10.915 1.00 37.29 C ATOM 547 C ALA A 684 7.505 -10.279 -11.045 1.00 36.44 C ATOM 548 O ALA A 684 6.888 -11.346 -11.131 1.00 36.16 O ATOM 549 CB ALA A 684 9.433 -11.195 -9.733 1.00 39.89 C ATOM 550 H ALA A 684 9.771 -8.599 -9.809 1.00 0.00 H ATOM 551 N TYR A 685 6.905 -9.086 -11.064 1.00 33.46 N ATOM 552 CA TYR A 685 5.456 -8.906 -11.199 1.00 32.71 C ATOM 553 C TYR A 685 4.724 -9.606 -10.059 1.00 38.45 C ATOM 554 O TYR A 685 3.808 -10.403 -10.268 1.00 43.89 O ATOM 555 CB TYR A 685 4.961 -9.388 -12.575 1.00 41.68 C ATOM 556 CG TYR A 685 3.629 -8.802 -13.041 1.00 57.40 C ATOM 557 CD1 TYR A 685 2.793 -8.111 -12.166 1.00 59.49 C ATOM 558 CD2 TYR A 685 3.209 -8.951 -14.364 1.00 61.34 C ATOM 559 CE1 TYR A 685 1.582 -7.582 -12.594 1.00 62.08 C ATOM 560 CE2 TYR A 685 1.999 -8.427 -14.799 1.00 61.71 C ATOM 561 CZ TYR A 685 1.191 -7.742 -13.910 1.00 64.00 C ATOM 562 OH TYR A 685 -0.012 -7.216 -14.333 1.00 63.98 O ATOM 563 HH TYR A 685 -0.458 -6.762 -13.574 1.00 0.00 H ATOM 564 H TYR A 685 7.499 -8.237 -10.978 1.00 0.00 H ATOM 565 N ARG A 686 5.140 -9.296 -8.831 1.00 35.28 N ATOM 566 CA ARG A 686 4.513 -9.858 -7.646 1.00 32.74 C ATOM 567 C ARG A 686 3.646 -8.860 -6.887 1.00 36.58 C ATOM 568 O ARG A 686 2.966 -9.260 -5.941 1.00 39.22 O ATOM 569 CB ARG A 686 5.585 -10.458 -6.711 1.00 31.91 C ATOM 570 CG ARG A 686 6.145 -11.797 -7.252 1.00 33.49 C ATOM 571 CD ARG A 686 6.924 -12.594 -6.190 1.00 36.65 C ATOM 572 NE ARG A 686 8.190 -11.974 -5.819 1.00 35.16 N ATOM 573 CZ ARG A 686 9.378 -12.384 -6.251 1.00 39.59 C ATOM 574 NH1 ARG A 686 9.472 -13.420 -7.079 1.00 38.36 N ATOM 575 NH2 ARG A 686 10.476 -11.754 -5.849 1.00 39.72 N ATOM 576 HE ARG A 686 8.162 -11.158 -5.175 1.00 0.00 H ATOM 577 HH12 ARG A 686 10.405 -13.736 -7.413 1.00 0.00 H ATOM 578 HH11 ARG A 686 8.613 -13.915 -7.392 1.00 0.00 H ATOM 579 HH22 ARG A 686 11.409 -12.070 -6.183 1.00 0.00 H ATOM 580 HH21 ARG A 686 10.403 -10.945 -5.200 1.00 0.00 H ATOM 581 H ARG A 686 5.934 -8.634 -8.718 1.00 0.00 H ATOM 582 N TYR A 687 3.625 -7.585 -7.279 1.00 36.87 N ATOM 583 CA TYR A 687 2.678 -6.620 -6.719 1.00 28.50 C ATOM 584 C TYR A 687 1.484 -6.523 -7.659 1.00 34.77 C ATOM 585 O TYR A 687 1.606 -6.021 -8.780 1.00 42.23 O ATOM 586 CB TYR A 687 3.308 -5.244 -6.518 1.00 30.92 C ATOM 587 CG TYR A 687 4.367 -5.225 -5.441 1.00 32.48 C ATOM 588 CD1 TYR A 687 4.048 -5.527 -4.124 1.00 35.25 C ATOM 589 CD2 TYR A 687 5.688 -4.924 -5.751 1.00 35.28 C ATOM 590 CE1 TYR A 687 5.015 -5.521 -3.126 1.00 34.39 C ATOM 591 CE2 TYR A 687 6.665 -4.913 -4.765 1.00 36.68 C ATOM 592 CZ TYR A 687 6.325 -5.215 -3.463 1.00 36.28 C ATOM 593 OH TYR A 687 7.295 -5.212 -2.495 1.00 36.09 O ATOM 594 HH TYR A 687 6.890 -5.447 -1.623 1.00 0.00 H ATOM 595 H TYR A 687 4.301 -7.268 -8.003 1.00 0.00 H ATOM 596 N LEU A 688 0.334 -6.986 -7.183 1.00 37.41 N ATOM 597 CA LEU A 688 -0.894 -7.026 -7.962 1.00 47.54 C ATOM 598 C LEU A 688 -1.782 -5.811 -7.743 1.00 39.47 C ATOM 599 O LEU A 688 -2.643 -5.531 -8.584 1.00 44.72 O ATOM 600 CB LEU A 688 -1.676 -8.299 -7.621 1.00 54.01 C ATOM 601 CG LEU A 688 -1.057 -9.612 -8.100 1.00 63.18 C ATOM 602 CD1 LEU A 688 -1.683 -10.800 -7.386 1.00 65.89 C ATOM 603 CD2 LEU A 688 -1.216 -9.749 -9.606 1.00 68.08 C ATOM 604 H LEU A 688 0.310 -7.338 -6.205 1.00 0.00 H ATOM 605 N ASN A 689 -1.590 -5.083 -6.650 1.00 37.20 N ATOM 606 CA ASN A 689 -2.408 -3.921 -6.332 1.00 33.48 C ATOM 607 C ASN A 689 -1.582 -2.952 -5.498 1.00 32.61 C ATOM 608 O ASN A 689 -0.517 -3.300 -4.979 1.00 35.41 O ATOM 609 CB ASN A 689 -3.674 -4.321 -5.578 1.00 36.56 C ATOM 610 CG ASN A 689 -3.366 -5.141 -4.355 1.00 41.11 C ATOM 611 OD1 ASN A 689 -2.820 -4.627 -3.383 1.00 35.42 O ATOM 612 ND2 ASN A 689 -3.691 -6.425 -4.398 1.00 52.36 N ATOM 613 HD22 ASN A 689 -4.153 -6.816 -5.244 1.00 0.00 H ATOM 614 HD21 ASN A 689 -3.484 -7.041 -3.586 1.00 0.00 H ATOM 615 H ASN A 689 -0.827 -5.352 -5.996 1.00 0.00 H ATOM 616 N PHE A 690 -2.093 -1.725 -5.368 1.00 30.89 N ATOM 617 CA PHE A 690 -1.330 -0.676 -4.691 1.00 33.35 C ATOM 618 C PHE A 690 -1.160 -0.980 -3.212 1.00 32.23 C ATOM 619 O PHE A 690 -0.109 -0.678 -2.629 1.00 31.49 O ATOM 620 CB PHE A 690 -2.021 0.677 -4.878 1.00 32.85 C ATOM 621 CG PHE A 690 -1.157 1.865 -4.533 1.00 28.56 C ATOM 622 CD1 PHE A 690 -0.364 2.465 -5.506 1.00 34.76 C ATOM 623 CD2 PHE A 690 -1.132 2.379 -3.251 1.00 30.99 C ATOM 624 CE1 PHE A 690 0.430 3.555 -5.202 1.00 38.37 C ATOM 625 CE2 PHE A 690 -0.352 3.471 -2.939 1.00 34.69 C ATOM 626 CZ PHE A 690 0.441 4.063 -3.915 1.00 35.13 C ATOM 627 H PHE A 690 -3.037 -1.514 -5.750 1.00 0.00 H ATOM 628 N ASP A 691 -2.177 -1.592 -2.601 1.00 32.61 N ATOM 629 CA ASP A 691 -2.149 -1.882 -1.174 1.00 30.80 C ATOM 630 C ASP A 691 -0.978 -2.775 -0.792 1.00 31.73 C ATOM 631 O ASP A 691 -0.352 -2.567 0.254 1.00 31.56 O ATOM 632 CB ASP A 691 -3.466 -2.543 -0.768 1.00 39.63 C ATOM 633 CG ASP A 691 -4.590 -1.551 -0.632 1.00 42.51 C ATOM 634 OD1 ASP A 691 -4.310 -0.336 -0.662 1.00 47.81 O ATOM 635 OD2 ASP A 691 -5.750 -1.988 -0.486 1.00 48.54 O ATOM 636 H ASP A 691 -3.010 -1.869 -3.158 1.00 0.00 H ATOM 637 N ASP A 692 -0.693 -3.798 -1.606 1.00 31.60 N ATOM 638 CA ASP A 692 0.395 -4.716 -1.281 1.00 35.40 C ATOM 639 C ASP A 692 1.738 -4.012 -1.380 1.00 32.44 C ATOM 640 O ASP A 692 2.641 -4.255 -0.569 1.00 32.56 O ATOM 641 CB ASP A 692 0.352 -5.935 -2.209 1.00 36.05 C ATOM 642 CG ASP A 692 -0.894 -6.794 -1.989 1.00 43.58 C ATOM 643 OD1 ASP A 692 -1.670 -6.495 -1.054 1.00 40.73 O ATOM 644 OD2 ASP A 692 -1.092 -7.768 -2.749 1.00 44.94 O ATOM 645 H ASP A 692 -1.249 -3.940 -2.474 1.00 0.00 H ATOM 646 N PHE A 693 1.877 -3.137 -2.378 1.00 29.34 N ATOM 647 CA PHE A 693 3.067 -2.304 -2.523 1.00 29.00 C ATOM 648 C PHE A 693 3.247 -1.383 -1.320 1.00 29.89 C ATOM 649 O PHE A 693 4.325 -1.328 -0.715 1.00 29.58 O ATOM 650 CB PHE A 693 2.939 -1.503 -3.829 1.00 29.44 C ATOM 651 CG PHE A 693 4.066 -0.565 -4.090 1.00 25.16 C ATOM 652 CD1 PHE A 693 5.196 -1.001 -4.768 1.00 29.26 C ATOM 653 CD2 PHE A 693 3.983 0.763 -3.717 1.00 28.41 C ATOM 654 CE1 PHE A 693 6.249 -0.132 -5.033 1.00 29.82 C ATOM 655 CE2 PHE A 693 5.032 1.644 -3.969 1.00 34.39 C ATOM 656 CZ PHE A 693 6.166 1.192 -4.637 1.00 31.49 C ATOM 657 H PHE A 693 1.112 -3.045 -3.076 1.00 0.00 H ATOM 658 N GLU A 694 2.195 -0.648 -0.958 1.00 28.62 N ATOM 659 CA GLU A 694 2.281 0.250 0.187 1.00 27.99 C ATOM 660 C GLU A 694 2.565 -0.517 1.476 1.00 29.44 C ATOM 661 O GLU A 694 3.309 -0.037 2.343 1.00 28.65 O ATOM 662 CB GLU A 694 0.991 1.069 0.315 1.00 28.16 C ATOM 663 CG GLU A 694 1.003 1.919 1.590 1.00 32.51 C ATOM 664 CD GLU A 694 -0.114 2.947 1.675 1.00 46.32 C ATOM 665 OE1 GLU A 694 -0.469 3.330 2.810 1.00 52.94 O ATOM 666 OE2 GLU A 694 -0.614 3.394 0.627 1.00 49.85 O ATOM 667 H GLU A 694 1.308 -0.716 -1.496 1.00 0.00 H ATOM 668 N GLU A 695 1.992 -1.720 1.615 1.00 28.97 N ATOM 669 CA GLU A 695 2.236 -2.525 2.807 1.00 33.22 C ATOM 670 C GLU A 695 3.720 -2.824 2.977 1.00 30.08 C ATOM 671 O GLU A 695 4.251 -2.768 4.096 1.00 29.55 O ATOM 672 CB GLU A 695 1.428 -3.820 2.731 1.00 38.00 C ATOM 673 CG GLU A 695 1.531 -4.709 3.953 1.00 43.51 C ATOM 674 CD GLU A 695 0.536 -5.854 3.911 1.00 60.67 C ATOM 675 OE1 GLU A 695 -0.627 -5.618 3.520 1.00 64.31 O ATOM 676 OE2 GLU A 695 0.919 -6.990 4.255 1.00 66.34 O ATOM 677 H GLU A 695 1.368 -2.083 0.867 1.00 0.00 H ATOM 678 N ASP A 696 4.409 -3.141 1.880 1.00 26.76 N ATOM 679 CA ASP A 696 5.836 -3.434 1.981 1.00 26.57 C ATOM 680 C ASP A 696 6.643 -2.180 2.301 1.00 30.88 C ATOM 681 O ASP A 696 7.591 -2.243 3.095 1.00 28.45 O ATOM 682 CB ASP A 696 6.333 -4.108 0.699 1.00 31.95 C ATOM 683 CG ASP A 696 6.226 -5.633 0.758 1.00 33.21 C ATOM 684 OD1 ASP A 696 5.875 -6.176 1.832 1.00 34.37 O ATOM 685 OD2 ASP A 696 6.488 -6.293 -0.272 1.00 34.12 O ATOM 686 H ASP A 696 3.932 -3.179 0.957 1.00 0.00 H ATOM 687 N PHE A 697 6.289 -1.026 1.718 1.00 26.61 N ATOM 688 CA PHE A 697 6.941 0.215 2.142 1.00 28.62 C ATOM 689 C PHE A 697 6.781 0.431 3.637 1.00 30.72 C ATOM 690 O PHE A 697 7.731 0.801 4.337 1.00 30.56 O ATOM 691 CB PHE A 697 6.376 1.431 1.411 1.00 27.83 C ATOM 692 CG PHE A 697 6.884 2.734 1.965 1.00 27.65 C ATOM 693 CD1 PHE A 697 8.192 3.142 1.704 1.00 29.38 C ATOM 694 CD2 PHE A 697 6.098 3.524 2.784 1.00 28.12 C ATOM 695 CE1 PHE A 697 8.683 4.330 2.238 1.00 29.51 C ATOM 696 CE2 PHE A 697 6.583 4.717 3.316 1.00 28.77 C ATOM 697 CZ PHE A 697 7.881 5.114 3.045 1.00 27.81 C ATOM 698 H PHE A 697 5.561 -1.012 0.975 1.00 0.00 H ATOM 699 N ASN A 698 5.560 0.242 4.137 1.00 24.46 N ATOM 700 CA ASN A 698 5.309 0.466 5.550 1.00 23.80 C ATOM 701 C ASN A 698 6.143 -0.458 6.429 1.00 26.77 C ATOM 702 O ASN A 698 6.488 -0.084 7.558 1.00 29.55 O ATOM 703 CB ASN A 698 3.814 0.297 5.840 1.00 28.30 C ATOM 704 CG ASN A 698 2.995 1.460 5.333 1.00 29.93 C ATOM 705 OD1 ASN A 698 3.512 2.556 5.119 1.00 34.03 O ATOM 706 ND2 ASN A 698 1.698 1.232 5.137 1.00 31.80 N ATOM 707 HD22 ASN A 698 1.300 0.291 5.330 1.00 0.00 H ATOM 708 HD21 ASN A 698 1.082 1.995 4.791 1.00 0.00 H ATOM 709 H ASN A 698 4.786 -0.066 3.515 1.00 0.00 H ATOM 710 N LEU A 699 6.486 -1.657 5.934 1.00 28.94 N ATOM 711 CA LEU A 699 7.369 -2.549 6.690 1.00 30.28 C ATOM 712 C LEU A 699 8.777 -1.983 6.820 1.00 27.99 C ATOM 713 O LEU A 699 9.417 -2.139 7.867 1.00 29.23 O ATOM 714 CB LEU A 699 7.442 -3.925 6.036 1.00 32.72 C ATOM 715 CG LEU A 699 6.290 -4.906 6.208 1.00 36.97 C ATOM 716 CD1 LEU A 699 6.678 -6.229 5.555 1.00 34.88 C ATOM 717 CD2 LEU A 699 5.961 -5.102 7.687 1.00 42.14 C ATOM 718 H LEU A 699 6.122 -1.956 5.007 1.00 0.00 H ATOM 719 N ILE A 700 9.305 -1.379 5.756 1.00 25.46 N ATOM 720 CA ILE A 700 10.626 -0.751 5.846 1.00 24.96 C ATOM 721 C ILE A 700 10.662 0.204 7.035 1.00 26.40 C ATOM 722 O ILE A 700 11.583 0.176 7.865 1.00 27.50 O ATOM 723 CB ILE A 700 10.967 -0.020 4.537 1.00 26.70 C ATOM 724 CG1 ILE A 700 11.031 -1.002 3.362 1.00 26.15 C ATOM 725 CG2 ILE A 700 12.328 0.682 4.679 1.00 28.42 C ATOM 726 CD1 ILE A 700 11.306 -0.330 2.018 1.00 27.99 C ATOM 727 H ILE A 700 8.778 -1.353 4.860 1.00 0.00 H ATOM 728 N VAL A 701 9.628 1.037 7.154 1.00 27.41 N ATOM 729 CA VAL A 701 9.575 2.028 8.226 1.00 29.70 C ATOM 730 C VAL A 701 9.342 1.353 9.574 1.00 32.31 C ATOM 731 O VAL A 701 10.075 1.593 10.542 1.00 25.97 O ATOM 732 CB VAL A 701 8.479 3.072 7.932 1.00 25.82 C ATOM 733 CG1 VAL A 701 8.243 3.956 9.161 1.00 25.67 C ATOM 734 CG2 VAL A 701 8.845 3.918 6.726 1.00 27.37 C ATOM 735 H VAL A 701 8.845 0.980 6.472 1.00 0.00 H ATOM 736 N SER A 702 8.313 0.501 9.665 1.00 25.97 N ATOM 737 CA SER A 702 7.933 -0.027 10.977 1.00 30.82 C ATOM 738 C SER A 702 8.958 -1.019 11.522 1.00 28.02 C ATOM 739 O SER A 702 9.157 -1.073 12.747 1.00 26.55 O ATOM 740 CB SER A 702 6.543 -0.663 10.917 1.00 30.25 C ATOM 741 OG SER A 702 6.550 -1.852 10.143 1.00 34.33 O ATOM 742 HG SER A 702 7.177 -2.503 10.547 1.00 0.00 H ATOM 743 H SER A 702 7.789 0.217 8.813 1.00 0.00 H ATOM 744 N ASN A 703 9.624 -1.789 10.646 1.00 28.75 N ATOM 745 CA ASN A 703 10.741 -2.623 11.089 1.00 31.10 C ATOM 746 C ASN A 703 11.827 -1.771 11.720 1.00 27.42 C ATOM 747 O ASN A 703 12.396 -2.133 12.757 1.00 29.37 O ATOM 748 CB ASN A 703 11.337 -3.417 9.918 1.00 28.39 C ATOM 749 CG ASN A 703 10.435 -4.539 9.445 1.00 30.18 C ATOM 750 OD1 ASN A 703 9.431 -4.852 10.080 1.00 32.68 O ATOM 751 ND2 ASN A 703 10.806 -5.170 8.336 1.00 28.78 N ATOM 752 HD22 ASN A 703 11.664 -4.871 7.830 1.00 0.00 H ATOM 753 HD21 ASN A 703 10.238 -5.963 7.974 1.00 0.00 H ATOM 754 H ASN A 703 9.343 -1.792 9.645 1.00 0.00 H ATOM 755 N CYS A 704 12.124 -0.629 11.103 1.00 28.00 N ATOM 756 CA CYS A 704 13.217 0.216 11.580 1.00 25.74 C ATOM 757 C CYS A 704 12.875 0.847 12.924 1.00 26.43 C ATOM 758 O CYS A 704 13.711 0.887 13.834 1.00 26.73 O ATOM 759 CB CYS A 704 13.508 1.293 10.542 1.00 27.17 C ATOM 760 SG CYS A 704 14.892 2.353 10.943 1.00 28.22 S ATOM 761 H CYS A 704 11.572 -0.335 10.272 1.00 0.00 H ATOM 762 N LEU A 705 11.641 1.331 13.069 1.00 28.84 N ATOM 763 CA LEU A 705 11.205 1.883 14.348 1.00 29.94 C ATOM 764 C LEU A 705 11.202 0.814 15.432 1.00 28.47 C ATOM 765 O LEU A 705 11.518 1.089 16.600 1.00 29.38 O ATOM 766 CB LEU A 705 9.809 2.493 14.185 1.00 28.26 C ATOM 767 CG LEU A 705 9.662 3.620 13.171 1.00 23.75 C ATOM 768 CD1 LEU A 705 8.158 3.951 13.000 1.00 28.79 C ATOM 769 CD2 LEU A 705 10.448 4.863 13.580 1.00 28.11 C ATOM 770 H LEU A 705 10.983 1.315 12.264 1.00 0.00 H ATOM 771 N LYS A 706 10.859 -0.422 15.063 1.00 28.79 N ATOM 772 CA LYS A 706 10.798 -1.496 16.054 1.00 31.92 C ATOM 773 C LYS A 706 12.191 -1.892 16.534 1.00 32.49 C ATOM 774 O LYS A 706 12.439 -2.005 17.744 1.00 33.64 O ATOM 775 CB LYS A 706 10.063 -2.705 15.467 1.00 33.12 C ATOM 776 CG LYS A 706 10.058 -3.928 16.380 1.00 38.62 C ATOM 777 CD LYS A 706 9.166 -5.021 15.822 1.00 40.08 C ATOM 778 CE LYS A 706 9.195 -6.249 16.707 1.00 48.58 C ATOM 779 NZ LYS A 706 8.297 -7.325 16.207 1.00 53.21 N ATOM 780 HZ1 LYS A 706 7.319 -6.972 16.176 1.00 0.00 H ATOM 781 HZ2 LYS A 706 8.595 -7.608 15.252 1.00 0.00 H ATOM 782 HZ3 LYS A 706 8.351 -8.144 16.845 1.00 0.00 H ATOM 783 H LYS A 706 10.634 -0.622 14.067 1.00 0.00 H ATOM 784 N TYR A 707 13.121 -2.096 15.602 1.00 29.12 N ATOM 785 CA TYR A 707 14.429 -2.626 15.975 1.00 31.06 C ATOM 786 C TYR A 707 15.287 -1.588 16.689 1.00 32.93 C ATOM 787 O TYR A 707 16.055 -1.932 17.600 1.00 33.06 O ATOM 788 CB TYR A 707 15.167 -3.155 14.738 1.00 32.47 C ATOM 789 CG TYR A 707 16.477 -3.798 15.114 1.00 32.53 C ATOM 790 CD1 TYR A 707 16.505 -5.070 15.667 1.00 34.65 C ATOM 791 CD2 TYR A 707 17.682 -3.128 14.942 1.00 32.58 C ATOM 792 CE1 TYR A 707 17.695 -5.662 16.043 1.00 39.98 C ATOM 793 CE2 TYR A 707 18.886 -3.716 15.324 1.00 37.77 C ATOM 794 CZ TYR A 707 18.880 -4.982 15.866 1.00 40.19 C ATOM 795 OH TYR A 707 20.065 -5.571 16.249 1.00 44.32 O ATOM 796 HH TYR A 707 19.881 -6.472 16.615 1.00 0.00 H ATOM 797 H TYR A 707 12.915 -1.877 14.606 1.00 0.00 H ATOM 798 N ASN A 708 15.201 -0.324 16.291 1.00 31.58 N ATOM 799 CA ASN A 708 16.185 0.657 16.735 1.00 31.86 C ATOM 800 C ASN A 708 15.666 1.534 17.869 1.00 28.67 C ATOM 801 O ASN A 708 14.473 1.837 17.968 1.00 29.62 O ATOM 802 CB ASN A 708 16.641 1.534 15.567 1.00 32.62 C ATOM 803 CG ASN A 708 17.387 0.744 14.516 1.00 29.55 C ATOM 804 OD1 ASN A 708 18.572 0.453 14.673 1.00 33.15 O ATOM 805 ND2 ASN A 708 16.688 0.356 13.457 1.00 28.24 N ATOM 806 HD22 ASN A 708 15.688 0.626 13.367 1.00 0.00 H ATOM 807 HD21 ASN A 708 17.140 -0.218 12.717 1.00 0.00 H ATOM 808 H ASN A 708 14.428 -0.032 15.659 1.00 0.00 H ATOM 809 N ALA A 709 16.589 1.926 18.749 1.00 30.66 N ATOM 810 CA ALA A 709 16.247 2.871 19.797 1.00 29.24 C ATOM 811 C ALA A 709 15.866 4.221 19.200 1.00 30.41 C ATOM 812 O ALA A 709 16.309 4.588 18.111 1.00 32.69 O ATOM 813 CB ALA A 709 17.420 3.033 20.765 1.00 30.66 C ATOM 814 H ALA A 709 17.558 1.553 18.684 1.00 0.00 H ATOM 815 N LYS A 710 15.023 4.965 19.927 1.00 28.56 N ATOM 816 CA LYS A 710 14.520 6.240 19.418 1.00 28.49 C ATOM 817 C LYS A 710 15.652 7.217 19.129 1.00 34.85 C ATOM 818 O LYS A 710 15.615 7.946 18.130 1.00 36.52 O ATOM 819 CB LYS A 710 13.525 6.857 20.408 1.00 31.33 C ATOM 820 CG LYS A 710 12.247 6.053 20.573 1.00 32.07 C ATOM 821 CD LYS A 710 11.205 6.780 21.430 1.00 32.05 C ATOM 822 CE LYS A 710 10.542 7.918 20.670 1.00 33.30 C ATOM 823 NZ LYS A 710 9.569 8.679 21.516 1.00 33.15 N ATOM 824 HZ1 LYS A 710 8.822 8.035 21.847 1.00 0.00 H ATOM 825 HZ2 LYS A 710 10.066 9.085 22.334 1.00 0.00 H ATOM 826 HZ3 LYS A 710 9.145 9.443 20.952 1.00 0.00 H ATOM 827 H LYS A 710 14.722 4.632 20.865 1.00 0.00 H ATOM 828 N ASP A 711 16.663 7.252 19.989 1.00 32.95 N ATOM 829 CA ASP A 711 17.775 8.183 19.818 1.00 34.70 C ATOM 830 C ASP A 711 18.854 7.564 18.931 1.00 36.40 C ATOM 831 O ASP A 711 19.994 7.339 19.345 1.00 38.03 O ATOM 832 CB ASP A 711 18.336 8.581 21.180 1.00 35.55 C ATOM 833 CG ASP A 711 19.277 9.765 21.104 1.00 49.64 C ATOM 834 OD1 ASP A 711 19.227 10.501 20.097 1.00 52.84 O ATOM 835 OD2 ASP A 711 20.066 9.962 22.060 1.00 56.23 O ATOM 836 H ASP A 711 16.663 6.603 20.801 1.00 0.00 H ATOM 837 N THR A 712 18.472 7.263 17.689 1.00 30.14 N ATOM 838 CA THR A 712 19.424 6.749 16.716 1.00 29.97 C ATOM 839 C THR A 712 19.191 7.424 15.374 1.00 31.46 C ATOM 840 O THR A 712 18.097 7.912 15.072 1.00 30.10 O ATOM 841 CB THR A 712 19.330 5.223 16.529 1.00 34.80 C ATOM 842 OG1 THR A 712 18.016 4.865 16.073 1.00 32.86 O ATOM 843 CG2 THR A 712 19.651 4.478 17.818 1.00 36.23 C ATOM 844 HG1 THR A 712 17.346 5.154 16.742 1.00 0.00 H ATOM 845 H THR A 712 17.479 7.398 17.412 1.00 0.00 H ATOM 846 N ILE A 713 20.243 7.426 14.557 1.00 28.89 N ATOM 847 CA ILE A 713 20.109 7.898 13.182 1.00 30.23 C ATOM 848 C ILE A 713 19.080 7.074 12.422 1.00 26.18 C ATOM 849 O ILE A 713 18.252 7.623 11.687 1.00 29.19 O ATOM 850 CB ILE A 713 21.477 7.877 12.484 1.00 31.98 C ATOM 851 CG1 ILE A 713 22.351 8.971 13.087 1.00 38.11 C ATOM 852 CG2 ILE A 713 21.324 8.066 10.985 1.00 33.48 C ATOM 853 CD1 ILE A 713 23.787 8.760 12.840 1.00 41.75 C ATOM 854 H ILE A 713 21.165 7.089 14.901 1.00 0.00 H ATOM 855 N PHE A 714 19.105 5.747 12.587 1.00 28.12 N ATOM 856 CA PHE A 714 18.155 4.903 11.866 1.00 25.29 C ATOM 857 C PHE A 714 16.711 5.240 12.245 1.00 26.95 C ATOM 858 O PHE A 714 15.860 5.420 11.368 1.00 25.42 O ATOM 859 CB PHE A 714 18.439 3.423 12.129 1.00 26.06 C ATOM 860 CG PHE A 714 19.728 2.927 11.524 1.00 29.74 C ATOM 861 CD1 PHE A 714 20.231 3.503 10.377 1.00 29.07 C ATOM 862 CD2 PHE A 714 20.415 1.873 12.106 1.00 31.60 C ATOM 863 CE1 PHE A 714 21.420 3.042 9.816 1.00 33.72 C ATOM 864 CE2 PHE A 714 21.600 1.401 11.556 1.00 31.81 C ATOM 865 CZ PHE A 714 22.100 1.988 10.410 1.00 31.99 C ATOM 866 H PHE A 714 19.801 5.316 13.229 1.00 0.00 H ATOM 867 N TYR A 715 16.416 5.336 13.547 1.00 26.72 N ATOM 868 CA TYR A 715 15.040 5.614 13.971 1.00 22.28 C ATOM 869 C TYR A 715 14.561 6.960 13.432 1.00 27.42 C ATOM 870 O TYR A 715 13.451 7.070 12.887 1.00 25.40 O ATOM 871 CB TYR A 715 14.944 5.572 15.505 1.00 24.17 C ATOM 872 CG TYR A 715 13.511 5.632 16.053 1.00 27.04 C ATOM 873 CD1 TYR A 715 12.825 6.838 16.143 1.00 28.09 C ATOM 874 CD2 TYR A 715 12.881 4.489 16.515 1.00 25.70 C ATOM 875 CE1 TYR A 715 11.505 6.901 16.649 1.00 24.76 C ATOM 876 CE2 TYR A 715 11.567 4.538 17.018 1.00 27.11 C ATOM 877 CZ TYR A 715 10.903 5.745 17.093 1.00 25.45 C ATOM 878 OH TYR A 715 9.613 5.796 17.593 1.00 29.51 O ATOM 879 HH TYR A 715 9.290 6.732 17.576 1.00 0.00 H ATOM 880 H TYR A 715 17.164 5.213 14.259 1.00 0.00 H ATOM 881 N ARG A 716 15.395 7.995 13.562 1.00 26.53 N ATOM 882 CA ARG A 716 15.022 9.320 13.077 1.00 28.95 C ATOM 883 C ARG A 716 14.837 9.320 11.568 1.00 29.16 C ATOM 884 O ARG A 716 13.949 10.004 11.048 1.00 27.50 O ATOM 885 CB ARG A 716 16.076 10.351 13.485 1.00 31.42 C ATOM 886 CG ARG A 716 16.069 10.665 14.974 1.00 31.90 C ATOM 887 CD ARG A 716 16.964 11.843 15.291 1.00 37.54 C ATOM 888 NE ARG A 716 18.374 11.487 15.204 1.00 44.07 N ATOM 889 CZ ARG A 716 19.088 11.008 16.219 1.00 45.43 C ATOM 890 NH1 ARG A 716 18.521 10.820 17.401 1.00 52.58 N ATOM 891 NH2 ARG A 716 20.372 10.718 16.051 1.00 50.32 N ATOM 892 HE ARG A 716 18.853 11.616 14.290 1.00 0.00 H ATOM 893 HH12 ARG A 716 19.081 10.445 18.193 1.00 0.00 H ATOM 894 HH11 ARG A 716 17.515 11.047 17.537 1.00 0.00 H ATOM 895 HH22 ARG A 716 20.929 10.344 16.846 1.00 0.00 H ATOM 896 HH21 ARG A 716 20.821 10.865 15.125 1.00 0.00 H ATOM 897 H ARG A 716 16.321 7.855 14.014 1.00 0.00 H ATOM 898 N ALA A 717 15.667 8.563 10.850 1.00 26.87 N ATOM 899 CA ALA A 717 15.506 8.474 9.402 1.00 24.65 C ATOM 900 C ALA A 717 14.201 7.783 9.034 1.00 26.40 C ATOM 901 O ALA A 717 13.547 8.169 8.058 1.00 28.36 O ATOM 902 CB ALA A 717 16.696 7.738 8.781 1.00 28.68 C ATOM 903 H ALA A 717 16.429 8.036 11.322 1.00 0.00 H ATOM 904 N ALA A 718 13.808 6.755 9.790 1.00 24.14 N ATOM 905 CA ALA A 718 12.545 6.082 9.505 1.00 24.22 C ATOM 906 C ALA A 718 11.361 7.001 9.759 1.00 27.33 C ATOM 907 O ALA A 718 10.388 6.980 9.007 1.00 25.45 O ATOM 908 CB ALA A 718 12.426 4.808 10.338 1.00 26.08 C ATOM 909 H ALA A 718 14.402 6.434 10.581 1.00 0.00 H ATOM 910 N VAL A 719 11.428 7.829 10.804 1.00 26.39 N ATOM 911 CA VAL A 719 10.369 8.811 11.020 1.00 26.14 C ATOM 912 C VAL A 719 10.275 9.771 9.839 1.00 26.82 C ATOM 913 O VAL A 719 9.178 10.056 9.335 1.00 28.84 O ATOM 914 CB VAL A 719 10.595 9.557 12.345 1.00 28.34 C ATOM 915 CG1 VAL A 719 9.633 10.716 12.455 1.00 29.64 C ATOM 916 CG2 VAL A 719 10.411 8.589 13.506 1.00 27.90 C ATOM 917 H VAL A 719 12.232 7.775 11.462 1.00 0.00 H ATOM 918 N ARG A 720 11.422 10.264 9.362 1.00 26.40 N ATOM 919 CA ARG A 720 11.413 11.183 8.230 1.00 25.90 C ATOM 920 C ARG A 720 10.897 10.488 6.975 1.00 25.99 C ATOM 921 O ARG A 720 10.159 11.086 6.181 1.00 29.32 O ATOM 922 CB ARG A 720 12.817 11.747 7.993 1.00 33.31 C ATOM 923 CG ARG A 720 12.855 12.839 6.929 1.00 36.75 C ATOM 924 CD ARG A 720 14.268 13.368 6.732 1.00 44.82 C ATOM 925 H ARG A 720 12.325 9.991 9.800 1.00 0.00 H ATOM 926 N LEU A 721 11.261 9.217 6.789 1.00 23.56 N ATOM 927 CA LEU A 721 10.786 8.498 5.607 1.00 24.81 C ATOM 928 C LEU A 721 9.288 8.244 5.687 1.00 26.00 C ATOM 929 O LEU A 721 8.588 8.317 4.676 1.00 28.57 O ATOM 930 CB LEU A 721 11.544 7.183 5.438 1.00 27.71 C ATOM 931 CG LEU A 721 11.174 6.350 4.207 1.00 28.80 C ATOM 932 CD1 LEU A 721 11.510 7.112 2.936 1.00 35.90 C ATOM 933 CD2 LEU A 721 11.867 5.003 4.238 1.00 25.85 C ATOM 934 H LEU A 721 11.877 8.742 7.479 1.00 0.00 H ATOM 935 N ARG A 722 8.778 7.964 6.888 1.00 23.63 N ATOM 936 CA ARG A 722 7.330 7.833 7.058 1.00 21.72 C ATOM 937 C ARG A 722 6.615 9.111 6.646 1.00 25.01 C ATOM 938 O ARG A 722 5.559 9.060 5.997 1.00 27.47 O ATOM 939 CB ARG A 722 7.012 7.491 8.518 1.00 24.92 C ATOM 940 CG ARG A 722 5.517 7.284 8.815 1.00 25.04 C ATOM 941 CD ARG A 722 5.306 7.010 10.282 1.00 29.79 C ATOM 942 NE ARG A 722 5.565 8.217 11.062 1.00 26.86 N ATOM 943 CZ ARG A 722 5.901 8.225 12.349 1.00 28.94 C ATOM 944 NH1 ARG A 722 6.015 7.086 13.021 1.00 33.03 N ATOM 945 NH2 ARG A 722 6.117 9.381 12.955 1.00 33.92 N ATOM 946 HE ARG A 722 5.481 9.134 10.578 1.00 0.00 H ATOM 947 HH12 ARG A 722 6.278 7.100 14.027 1.00 0.00 H ATOM 948 HH11 ARG A 722 5.841 6.180 12.541 1.00 0.00 H ATOM 949 HH22 ARG A 722 6.380 9.400 13.961 1.00 0.00 H ATOM 950 HH21 ARG A 722 6.024 10.271 12.425 1.00 0.00 H ATOM 951 H ARG A 722 9.410 7.839 7.704 1.00 0.00 H ATOM 952 N GLU A 723 7.168 10.264 7.027 1.00 25.04 N ATOM 953 CA GLU A 723 6.556 11.548 6.691 1.00 28.73 C ATOM 954 C GLU A 723 6.645 11.826 5.194 1.00 32.65 C ATOM 955 O GLU A 723 5.631 12.067 4.528 1.00 34.83 O ATOM 956 CB GLU A 723 7.233 12.668 7.490 1.00 32.81 C ATOM 957 CG GLU A 723 7.187 12.437 9.007 1.00 40.33 C ATOM 958 CD GLU A 723 8.051 13.403 9.806 1.00 47.90 C ATOM 959 OE1 GLU A 723 9.070 13.898 9.271 1.00 50.29 O ATOM 960 OE2 GLU A 723 7.710 13.662 10.984 1.00 47.53 O ATOM 961 H GLU A 723 8.052 10.249 7.574 1.00 0.00 H ATOM 962 N GLN A 724 7.860 11.805 4.647 1.00 29.00 N ATOM 963 CA GLN A 724 8.036 12.178 3.248 1.00 26.69 C ATOM 964 C GLN A 724 7.489 11.111 2.312 1.00 29.63 C ATOM 965 O GLN A 724 6.914 11.433 1.261 1.00 30.66 O ATOM 966 CB GLN A 724 9.515 12.429 2.969 1.00 31.30 C ATOM 967 CG GLN A 724 10.105 13.544 3.800 1.00 30.80 C ATOM 968 CD GLN A 724 11.558 13.802 3.440 1.00 45.70 C ATOM 969 OE1 GLN A 724 12.360 12.873 3.357 1.00 43.40 O ATOM 970 NE2 GLN A 724 11.899 15.066 3.214 1.00 53.76 N ATOM 971 HE22 GLN A 724 11.187 15.819 3.296 1.00 0.00 H ATOM 972 HE21 GLN A 724 12.878 15.302 2.955 1.00 0.00 H ATOM 973 H GLN A 724 8.682 11.523 5.217 1.00 0.00 H ATOM 974 N GLY A 725 7.686 9.837 2.653 1.00 32.56 N ATOM 975 CA GLY A 725 7.155 8.764 1.831 1.00 31.68 C ATOM 976 C GLY A 725 5.643 8.717 1.841 1.00 37.53 C ATOM 977 O GLY A 725 5.019 8.382 0.827 1.00 36.82 O ATOM 978 H GLY A 725 8.224 9.610 3.514 1.00 0.00 H ATOM 979 N GLY A 726 5.030 9.066 2.972 1.00 33.72 N ATOM 980 CA GLY A 726 3.584 9.130 3.021 1.00 35.52 C ATOM 981 C GLY A 726 3.014 10.097 2.003 1.00 36.48 C ATOM 982 O GLY A 726 1.999 9.815 1.366 1.00 33.60 O ATOM 983 H GLY A 726 5.590 9.292 3.819 1.00 0.00 H ATOM 984 N ALA A 727 3.668 11.245 1.823 1.00 32.50 N ATOM 985 CA ALA A 727 3.194 12.203 0.833 1.00 33.84 C ATOM 986 C ALA A 727 3.333 11.645 -0.582 1.00 30.21 C ATOM 987 O ALA A 727 2.431 11.807 -1.410 1.00 31.05 O ATOM 988 CB ALA A 727 3.954 13.520 0.974 1.00 38.02 C ATOM 989 H ALA A 727 4.515 11.456 2.388 1.00 0.00 H ATOM 990 N VAL A 728 4.457 10.984 -0.869 1.00 33.76 N ATOM 991 CA VAL A 728 4.627 10.332 -2.167 1.00 29.48 C ATOM 992 C VAL A 728 3.509 9.330 -2.410 1.00 28.86 C ATOM 993 O VAL A 728 2.922 9.279 -3.495 1.00 29.54 O ATOM 994 CB VAL A 728 6.003 9.650 -2.248 1.00 27.84 C ATOM 995 CG1 VAL A 728 6.062 8.752 -3.477 1.00 30.26 C ATOM 996 CG2 VAL A 728 7.111 10.692 -2.263 1.00 30.68 C ATOM 997 H VAL A 728 5.219 10.932 -0.163 1.00 0.00 H ATOM 998 N LEU A 729 3.188 8.521 -1.397 1.00 31.99 N ATOM 999 CA LEU A 729 2.189 7.473 -1.582 1.00 26.17 C ATOM 1000 C LEU A 729 0.781 8.041 -1.724 1.00 32.60 C ATOM 1001 O LEU A 729 -0.043 7.465 -2.440 1.00 32.75 O ATOM 1002 CB LEU A 729 2.235 6.485 -0.417 1.00 28.68 C ATOM 1003 CG LEU A 729 3.434 5.537 -0.376 1.00 31.76 C ATOM 1004 CD1 LEU A 729 3.430 4.781 0.939 1.00 39.00 C ATOM 1005 CD2 LEU A 729 3.423 4.569 -1.548 1.00 37.40 C ATOM 1006 H LEU A 729 3.651 8.638 -0.473 1.00 0.00 H ATOM 1007 N ARG A 730 0.494 9.156 -1.048 1.00 32.76 N ATOM 1008 CA ARG A 730 -0.813 9.798 -1.165 1.00 34.76 C ATOM 1009 C ARG A 730 -1.076 10.243 -2.598 1.00 34.89 C ATOM 1010 O ARG A 730 -2.148 9.982 -3.158 1.00 35.69 O ATOM 1011 CB ARG A 730 -0.884 10.986 -0.201 1.00 39.12 C ATOM 1012 CG ARG A 730 -2.219 11.713 -0.161 1.00 42.87 C ATOM 1013 CD ARG A 730 -2.202 12.850 0.875 1.00 44.18 C ATOM 1014 NE ARG A 730 -1.398 12.529 2.053 1.00 41.79 N ATOM 1015 CZ ARG A 730 -0.240 13.115 2.353 1.00 42.64 C ATOM 1016 NH1 ARG A 730 0.251 14.060 1.561 1.00 43.85 N ATOM 1017 NH2 ARG A 730 0.432 12.755 3.441 1.00 42.85 N ATOM 1018 HE ARG A 730 -1.753 11.795 2.699 1.00 0.00 H ATOM 1019 HH12 ARG A 730 1.155 14.517 1.796 1.00 0.00 H ATOM 1020 HH11 ARG A 730 -0.268 14.343 0.706 1.00 0.00 H ATOM 1021 HH22 ARG A 730 1.336 13.216 3.670 1.00 0.00 H ATOM 1022 HH21 ARG A 730 0.054 12.012 4.063 1.00 0.00 H ATOM 1023 H ARG A 730 1.215 9.575 -0.426 1.00 0.00 H ATOM 1024 N GLN A 731 -0.096 10.915 -3.208 1.00 37.85 N ATOM 1025 CA GLN A 731 -0.230 11.362 -4.587 1.00 35.41 C ATOM 1026 C GLN A 731 -0.293 10.175 -5.539 1.00 33.39 C ATOM 1027 O GLN A 731 -1.097 10.167 -6.479 1.00 34.27 O ATOM 1028 CB GLN A 731 0.937 12.292 -4.941 1.00 34.90 C ATOM 1029 CG GLN A 731 0.737 13.138 -6.189 1.00 50.26 C ATOM 1030 CD GLN A 731 1.008 12.384 -7.483 1.00 61.92 C ATOM 1031 OE1 GLN A 731 0.286 12.546 -8.468 1.00 69.60 O ATOM 1032 NE2 GLN A 731 2.054 11.563 -7.490 1.00 57.88 N ATOM 1033 HE22 GLN A 731 2.637 11.456 -6.635 1.00 0.00 H ATOM 1034 HE21 GLN A 731 2.289 11.028 -8.350 1.00 0.00 H ATOM 1035 H GLN A 731 0.780 11.123 -2.688 1.00 0.00 H ATOM 1036 N ALA A 732 0.522 9.145 -5.291 1.00 30.40 N ATOM 1037 CA ALA A 732 0.538 7.997 -6.190 1.00 29.48 C ATOM 1038 C ALA A 732 -0.756 7.201 -6.093 1.00 29.55 C ATOM 1039 O ALA A 732 -1.256 6.704 -7.106 1.00 34.61 O ATOM 1040 CB ALA A 732 1.751 7.109 -5.901 1.00 30.04 C ATOM 1041 H ALA A 732 1.144 9.162 -4.458 1.00 0.00 H ATOM 1042 N ARG A 733 -1.322 7.065 -4.887 1.00 27.82 N ATOM 1043 CA ARG A 733 -2.571 6.321 -4.803 1.00 30.56 C ATOM 1044 C ARG A 733 -3.686 7.054 -5.531 1.00 34.34 C ATOM 1045 O ARG A 733 -4.542 6.421 -6.161 1.00 36.54 O ATOM 1046 CB ARG A 733 -2.968 6.062 -3.354 1.00 34.45 C ATOM 1047 CG ARG A 733 -4.238 5.243 -3.283 1.00 38.52 C ATOM 1048 CD ARG A 733 -4.726 5.068 -1.880 1.00 40.65 C ATOM 1049 NE ARG A 733 -3.917 4.125 -1.110 1.00 39.49 N ATOM 1050 CZ ARG A 733 -4.043 2.803 -1.185 1.00 36.56 C ATOM 1051 NH1 ARG A 733 -4.926 2.259 -2.018 1.00 34.16 N ATOM 1052 NH2 ARG A 733 -3.278 2.027 -0.432 1.00 33.16 N ATOM 1053 HE ARG A 733 -3.199 4.511 -0.464 1.00 0.00 H ATOM 1054 HH12 ARG A 733 -5.021 1.225 -2.073 1.00 0.00 H ATOM 1055 HH11 ARG A 733 -5.522 2.868 -2.614 1.00 0.00 H ATOM 1056 HH22 ARG A 733 -3.373 0.993 -0.487 1.00 0.00 H ATOM 1057 HH21 ARG A 733 -2.583 2.452 0.214 1.00 0.00 H ATOM 1058 H ARG A 733 -0.884 7.477 -4.038 1.00 0.00 H ATOM 1059 N ARG A 734 -3.690 8.388 -5.466 1.00 32.41 N ATOM 1060 CA ARG A 734 -4.706 9.148 -6.193 1.00 38.49 C ATOM 1061 C ARG A 734 -4.633 8.868 -7.687 1.00 45.75 C ATOM 1062 O ARG A 734 -5.668 8.751 -8.359 1.00 44.28 O ATOM 1063 CB ARG A 734 -4.539 10.644 -5.921 1.00 42.77 C ATOM 1064 CG ARG A 734 -5.085 11.099 -4.572 1.00 46.97 C ATOM 1065 H ARG A 734 -2.973 8.885 -4.900 1.00 0.00 H ATOM 1066 N GLN A 735 -3.416 8.747 -8.226 1.00 39.08 N ATOM 1067 CA GLN A 735 -3.266 8.385 -9.630 1.00 38.07 C ATOM 1068 C GLN A 735 -3.685 6.942 -9.877 1.00 36.81 C ATOM 1069 O GLN A 735 -4.270 6.634 -10.920 1.00 43.33 O ATOM 1070 CB GLN A 735 -1.821 8.607 -10.085 1.00 35.38 C ATOM 1071 CG GLN A 735 -1.374 10.050 -10.018 1.00 49.07 C ATOM 1072 CD GLN A 735 -2.224 10.957 -10.890 1.00 62.39 C ATOM 1073 OE1 GLN A 735 -3.102 11.665 -10.398 1.00 70.20 O ATOM 1074 NE2 GLN A 735 -1.973 10.931 -12.194 1.00 65.28 N ATOM 1075 HE22 GLN A 735 -1.221 10.317 -12.567 1.00 0.00 H ATOM 1076 HE21 GLN A 735 -2.529 11.525 -12.842 1.00 0.00 H ATOM 1077 H GLN A 735 -2.572 8.912 -7.641 1.00 0.00 H ATOM 1078 N ALA A 736 -3.394 6.044 -8.935 1.00 36.10 N ATOM 1079 CA ALA A 736 -3.799 4.653 -9.096 1.00 34.57 C ATOM 1080 C ALA A 736 -5.317 4.507 -9.066 1.00 42.05 C ATOM 1081 O ALA A 736 -5.864 3.620 -9.727 1.00 45.64 O ATOM 1082 CB ALA A 736 -3.166 3.789 -8.001 1.00 39.81 C ATOM 1083 H ALA A 736 -2.876 6.337 -8.082 1.00 0.00 H ATOM 1084 N GLU A 737 -6.002 5.366 -8.306 1.00 44.39 N ATOM 1085 CA GLU A 737 -7.451 5.246 -8.162 1.00 43.08 C ATOM 1086 C GLU A 737 -8.161 5.536 -9.475 1.00 48.07 C ATOM 1087 O GLU A 737 -9.210 4.949 -9.763 1.00 53.74 O ATOM 1088 CB GLU A 737 -7.951 6.185 -7.068 1.00 45.30 C ATOM 1089 H GLU A 737 -5.498 6.129 -7.811 1.00 0.00 H ATOM 1090 N LYS A 738 -7.618 6.445 -10.276 1.00 46.55 N ATOM 1091 CA LYS A 738 -8.188 6.723 -11.593 1.00 55.60 C ATOM 1092 C LYS A 738 -7.512 5.893 -12.684 1.00 66.08 C ATOM 1093 O LYS A 738 -7.135 6.401 -13.738 1.00 73.09 O ATOM 1094 CB LYS A 738 -8.104 8.215 -11.894 1.00 58.65 C ATOM 1095 CG LYS A 738 -6.756 8.846 -11.620 1.00 63.64 C ATOM 1096 CD LYS A 738 -6.823 10.359 -11.760 1.00 65.10 C ATOM 1097 H LYS A 738 -6.775 6.967 -9.962 1.00 0.00 H ATOM 1098 N MET A 739 -7.359 4.595 -12.429 1.00 67.74 N ATOM 1099 CA MET A 739 -6.888 3.656 -13.447 1.00 64.98 C ATOM 1100 C MET A 739 -7.930 2.567 -13.696 1.00 68.64 C ATOM 1101 O MET A 739 -8.023 1.595 -12.944 1.00 69.36 O ATOM 1102 CB MET A 739 -5.549 3.023 -13.045 1.00 61.28 C ATOM 1103 CG MET A 739 -4.331 3.867 -13.398 1.00 54.58 C ATOM 1104 SD MET A 739 -2.720 3.050 -13.206 1.00 53.12 S ATOM 1105 CE MET A 739 -1.649 4.428 -13.583 1.00 39.13 C ATOM 1106 H MET A 739 -7.581 4.238 -11.478 1.00 0.00 H TER 1107 MET A 739 HETATM 1108 O HOH 1 17.415 4.047 -1.058 1.00 35.26 O HETATM 1109 O HOH 2 18.108 6.565 -1.959 1.00 31.43 O HETATM 1110 O HOH 3 21.629 -3.138 3.735 1.00 54.57 O HETATM 1111 O HOH 4 15.794 -9.207 -1.324 1.00 52.29 O HETATM 1112 O HOH 5 20.376 0.893 16.201 1.00 49.16 O HETATM 1113 O HOH 6 13.133 10.686 4.101 1.00 38.92 O HETATM 1114 O HOH 7 30.978 -5.554 6.607 1.00 70.00 O HETATM 1115 O HOH 8 1.869 -9.162 -9.359 1.00 54.00 O HETATM 1116 O HOH 9 14.879 -6.798 3.529 1.00 37.17 O HETATM 1117 O HOH 10 -7.287 15.833 0.740 1.00 47.11 O HETATM 1118 O HOH 11 15.004 -2.088 10.116 1.00 28.88 O HETATM 1119 O HOH 12 22.505 -6.381 2.791 1.00 44.47 O HETATM 1120 O HOH 13 10.809 11.714 -4.295 1.00 40.67 O HETATM 1121 O HOH 14 -0.600 -4.309 -14.053 1.00 44.09 O HETATM 1122 O HOH 15 6.374 -2.989 -15.885 1.00 52.47 O HETATM 1123 O HOH 16 18.002 -1.581 4.992 1.00 31.72 O HETATM 1124 O HOH 17 18.450 8.310 4.283 1.00 32.46 O HETATM 1125 O HOH 18 20.549 -0.739 2.596 1.00 44.10 O HETATM 1126 O HOH 19 18.031 12.389 4.721 1.00 47.23 O HETATM 1127 O HOH 20 4.210 8.081 -8.386 1.00 35.30 O HETATM 1128 O HOH 21 -8.090 9.596 -7.552 1.00 51.36 O HETATM 1129 O HOH 22 11.939 0.597 -12.546 1.00 46.23 O HETATM 1130 O HOH 23 17.672 -0.322 -3.815 1.00 40.43 O HETATM 1131 O HOH 24 5.820 12.028 12.028 1.00 43.88 O HETATM 1132 O HOH 25 15.212 -1.603 5.400 1.00 29.80 O HETATM 1133 O HOH 26 13.853 9.984 17.845 1.00 44.48 O HETATM 1134 O HOH 27 0.460 -8.429 -4.874 1.00 49.02 O HETATM 1135 O HOH 28 7.220 -4.135 11.484 1.00 41.52 O HETATM 1136 O HOH 29 13.791 -4.500 7.380 1.00 30.18 O HETATM 1137 O HOH 30 18.715 -13.931 14.282 1.00 60.84 O HETATM 1138 O HOH 31 -7.057 0.255 0.382 1.00 39.99 O HETATM 1139 O HOH 32 13.229 12.416 12.144 1.00 36.00 O HETATM 1140 O HOH 33 15.019 13.629 -1.109 1.00 49.20 O HETATM 1141 O HOH 34 4.007 6.809 5.632 1.00 38.46 O HETATM 1142 O HOH 35 6.206 9.267 15.711 1.00 41.57 O HETATM 1143 O HOH 36 18.583 -1.896 18.709 1.00 45.12 O HETATM 1144 O HOH 37 3.928 10.479 -5.776 1.00 33.06 O HETATM 1145 O HOH 38 4.955 4.275 6.742 1.00 42.95 O HETATM 1146 O HOH 39 3.055 -3.153 6.565 1.00 31.60 O HETATM 1147 O HOH 40 4.115 -1.902 8.800 1.00 37.36 O HETATM 1148 O HOH 41 12.243 -10.460 3.638 1.00 45.27 O HETATM 1149 O HOH 42 -4.440 -1.236 -6.826 1.00 42.64 O HETATM 1150 O HOH 43 24.252 3.702 2.552 1.00 40.06 O HETATM 1151 O HOH 44 4.113 12.133 -9.340 1.00 49.77 O HETATM 1152 O HOH 45 17.478 -8.113 6.389 1.00 39.13 O HETATM 1153 O HOH 46 13.815 -1.547 7.575 1.00 28.69 O HETATM 1154 O HOH 47 18.773 10.286 10.825 1.00 36.76 O HETATM 1155 O HOH 48 8.444 -7.603 10.211 1.00 35.27 O HETATM 1156 O HOH 49 7.416 14.050 0.248 1.00 43.61 O HETATM 1157 O HOH 50 18.144 11.008 -3.131 1.00 44.84 O HETATM 1158 O HOH 51 14.699 13.497 1.824 1.00 46.31 O HETATM 1159 O HOH 52 14.746 9.268 5.698 1.00 37.13 O HETATM 1160 O HOH 53 11.563 1.690 -9.658 1.00 37.67 O HETATM 1161 O HOH 54 7.640 -15.095 -8.553 1.00 46.39 O HETATM 1162 O HOH 55 16.038 -5.704 5.754 1.00 34.32 O HETATM 1163 O HOH 56 -1.653 -0.692 2.041 1.00 41.54 O HETATM 1164 O HOH 57 19.238 0.739 18.743 1.00 38.56 O HETATM 1165 O HOH 58 4.473 -6.085 -9.622 1.00 41.23 O HETATM 1166 O HOH 59 9.244 -10.000 -0.411 1.00 39.29 O HETATM 1167 O HOH 60 19.445 12.142 12.555 1.00 41.23 O HETATM 1168 O HOH 61 21.669 9.319 -2.471 1.00 48.61 O HETATM 1169 O HOH 62 -2.510 -1.074 -15.587 1.00 42.98 O HETATM 1170 O HOH 63 8.146 -7.932 13.324 1.00 38.45 O HETATM 1171 O HOH 64 4.524 4.616 12.387 1.00 33.77 O HETATM 1172 O HOH 65 14.567 4.093 22.721 1.00 30.03 O HETATM 1173 O HOH 66 16.602 6.203 22.778 1.00 34.59 O HETATM 1174 O HOH 67 8.351 8.426 16.950 1.00 38.09 O HETATM 1175 O HOH 68 0.656 -1.384 6.151 1.00 37.61 O HETATM 1176 O HOH 69 3.650 9.446 -14.520 1.00 47.62 O HETATM 1177 O HOH 70 21.572 4.549 13.868 1.00 33.37 O HETATM 1178 O HOH 71 2.336 -12.962 -9.587 1.00 47.14 O HETATM 1179 O HOH 72 4.251 10.611 9.715 1.00 54.42 O HETATM 1180 O HOH 73 6.912 -9.343 -0.117 1.00 54.97 O HETATM 1181 O HOH 74 15.551 -4.459 19.310 1.00 51.54 O HETATM 1182 O HOH 75 22.940 6.543 15.798 1.00 31.83 O HETATM 1183 O HOH 76 10.941 9.406 24.203 1.00 43.93 O HETATM 1184 O HOH 77 2.735 9.658 -9.870 1.00 45.56 O HETATM 1185 O HOH 78 25.694 -2.104 5.382 1.00 45.65 O HETATM 1186 O HOH 79 22.399 9.296 18.030 1.00 55.75 O HETATM 1187 O HOH 80 -5.098 -1.348 -3.846 1.00 41.14 O HETATM 1188 O HOH 81 15.312 -10.480 0.551 1.00 50.24 O HETATM 1189 O HOH 82 -8.163 1.390 -1.957 1.00 50.36 O HETATM 1190 O HOH 83 5.650 12.503 14.485 1.00 42.70 O HETATM 1191 O HOH 84 25.937 -0.554 1.660 1.00 66.66 O HETATM 1192 O HOH 85 1.662 9.625 -12.331 1.00 53.10 O HETATM 1193 O HOH 86 2.072 8.409 10.412 1.00 47.21 O HETATM 1194 O HOH 87 2.676 -9.247 -2.315 1.00 49.30 O HETATM 1195 O HOH 88 25.257 1.390 0.518 1.00 54.96 O HETATM 1196 O HOH 89 8.376 12.916 -5.240 1.00 40.20 O HETATM 1197 O HOH 90 -5.125 0.859 -7.145 1.00 56.91 O HETATM 1198 O HOH 91 15.062 -9.611 -3.543 1.00 51.85 O HETATM 1199 O HOH 92 4.777 -10.293 -2.641 1.00 58.10 O HETATM 1200 O HOH 93 5.563 12.878 -5.063 1.00 47.34 O HETATM 1201 O HOH 94 17.287 11.400 8.548 1.00 38.69 O HETATM 1202 O HOH 95 3.400 6.876 -14.097 1.00 50.30 O HETATM 1203 O HOH 96 15.403 8.407 23.616 1.00 43.87 O HETATM 1204 O HOH 97 5.775 -8.398 9.735 1.00 41.59 O HETATM 1205 O HOH 98 14.893 -9.661 3.026 1.00 41.79 O HETATM 1206 O HOH 99 26.741 3.940 3.373 1.00 34.18 O HETATM 1207 O HOH 100 28.537 -2.374 13.847 1.00 72.08 O HETATM 1208 O HOH 101 2.203 -13.172 -7.297 1.00 57.69 O HETATM 1209 O HOH 102 24.702 -3.300 3.132 1.00 60.49 O HETATM 1210 O HOH 103 -8.348 4.355 -3.672 1.00 44.48 O HETATM 1211 O HOH 104 13.318 -3.855 21.607 1.00 72.57 O HETATM 1212 O HOH 105 14.233 10.253 22.159 1.00 56.56 O HETATM 1213 O HOH 106 27.793 1.987 5.365 1.00 47.01 O HETATM 1214 O HOH 107 4.593 3.378 9.612 1.00 55.86 O HETATM 1215 O HOH 108 10.780 -11.020 1.394 1.00 47.68 O HETATM 1216 O HOH 109 12.802 12.702 14.483 1.00 47.17 O HETATM 1217 O HOH 110 12.511 10.816 15.677 1.00 39.14 O HETATM 1218 O HOH 111 7.988 -1.600 18.652 1.00 39.76 O HETATM 1219 O HOH 112 17.115 10.238 6.093 1.00 41.56 O HETATM 1220 O HOH 113 1.744 3.895 9.129 1.00 49.08 O HETATM 1221 O HOH 114 13.025 -11.706 -0.401 1.00 38.94 O HETATM 1222 O HOH 115 8.825 -12.874 1.786 1.00 53.93 O HETATM 1223 O HOH 116 12.314 -12.853 4.781 1.00 51.18 O HETATM 1224 O HOH 117 18.940 5.175 23.557 1.00 42.01 O HETATM 1225 O HOH 118 20.928 2.072 20.603 1.00 47.37 O HETATM 1226 O HOH 119 16.879 -10.392 4.950 1.00 45.60 O HETATM 1227 O HOH 120 29.722 -5.260 15.679 1.00 68.07 O HETATM 1228 O HOH 121 15.199 1.545 23.400 1.00 37.82 O HETATM 1229 O HOH 122 19.121 -11.019 3.501 1.00 48.39 O HETATM 1230 O HOH 123 14.662 -12.865 5.877 1.00 61.30 O HETATM 1231 O HOH 124 15.862 -13.167 1.704 1.00 64.30 O HETATM 1232 CAA UWX A 125 24.373 4.862 10.813 1.00 -0.06 C HETATM 1233 CBD UWX A 125 24.930 4.194 12.073 1.00 -0.04 C HETATM 1234 CAB UWX A 125 25.224 5.272 13.117 1.00 -0.06 C HETATM 1235 H4 UWX A 125 25.625 4.801 14.027 1.00 0.02 H HETATM 1236 H5 UWX A 125 24.296 5.809 13.361 1.00 0.02 H HETATM 1237 H6 UWX A 125 25.963 5.981 12.714 1.00 0.02 H HETATM 1238 CAS UWX A 125 26.222 3.449 11.737 1.00 -0.02 C HETATM 1239 CAV UWX A 125 25.972 2.206 11.140 1.00 -0.04 C HETATM 1240 CAI UWX A 125 26.120 2.044 9.764 1.00 -0.06 C HETATM 1241 CAK UWX A 125 25.897 0.810 9.169 1.00 -0.04 C HETATM 1242 CAX UWX A 125 25.514 -0.272 9.955 1.00 0.11 C HETATM 1243 CAL UWX A 125 25.359 -0.119 11.325 1.00 -0.04 C HETATM 1244 CAJ UWX A 125 25.595 1.116 11.924 1.00 -0.06 C HETATM 1245 H14 UWX A 125 25.486 1.230 12.996 1.00 0.06 H HETATM 1246 H16 UWX A 125 25.053 -0.964 11.931 1.00 0.06 H HETATM 1247 SBH UWX A 125 25.237 -1.789 9.226 1.00 0.08 S HETATM 1248 NAT UWX A 125 24.075 -1.610 8.056 1.00 -0.20 N HETATM 1249 CAW UWX A 125 22.816 -1.281 8.368 1.00 0.06 C HETATM 1250 CAM UWX A 125 22.133 -1.735 9.496 1.00 -0.04 C HETATM 1251 CBB UWX A 125 20.806 -1.344 9.716 1.00 0.07 C HETATM 1252 CBC UWX A 125 20.174 -0.516 8.794 1.00 0.07 C HETATM 1253 CAN UWX A 125 20.861 -0.080 7.665 1.00 -0.05 C HETATM 1254 CAY UWX A 125 22.176 -0.462 7.443 1.00 0.03 C HETATM 1255 NBE UWX A 125 22.783 0.019 6.336 1.00 -0.32 N HETATM 1256 CAQ UWX A 125 22.374 -0.476 5.013 1.00 0.04 C HETATM 1257 CAO UWX A 125 23.297 -0.004 3.885 1.00 0.07 C HETATM 1258 OAU UWX A 125 23.600 1.392 4.042 1.00 -0.38 O HETATM 1259 CAP UWX A 125 24.438 1.493 5.186 1.00 0.07 C HETATM 1260 CAR UWX A 125 23.608 1.235 6.449 1.00 0.04 C HETATM 1261 H25 UWX A 125 22.946 2.097 6.620 1.00 0.05 H HETATM 1262 H26 UWX A 125 24.291 1.121 7.304 1.00 0.05 H HETATM 1263 H21 UWX A 125 25.244 0.747 5.118 1.00 0.06 H HETATM 1264 H22 UWX A 125 24.875 2.502 5.233 1.00 0.06 H HETATM 1265 H19 UWX A 125 22.798 -0.161 2.917 1.00 0.06 H HETATM 1266 H20 UWX A 125 24.231 -0.584 3.914 1.00 0.06 H HETATM 1267 H23 UWX A 125 22.380 -1.576 5.033 1.00 0.05 H HETATM 1268 H24 UWX A 125 21.355 -0.118 4.805 1.00 0.05 H HETATM 1269 H18 UWX A 125 20.363 0.566 6.951 1.00 0.03 H HETATM 1270 NBG UWX A 125 18.896 -0.130 8.990 1.00 -0.23 N HETATM 1271 CAD UWX A 125 18.219 0.749 8.015 1.00 0.04 C HETATM 1272 H10 UWX A 125 17.191 0.947 8.352 1.00 0.05 H HETATM 1273 H11 UWX A 125 18.194 0.256 7.032 1.00 0.05 H HETATM 1274 H12 UWX A 125 18.768 1.699 7.934 1.00 0.05 H HETATM 1275 CBA UWX A 125 18.218 -0.544 10.065 1.00 0.31 C HETATM 1276 CAZ UWX A 125 18.839 -1.375 10.991 1.00 0.31 C HETATM 1277 NBF UWX A 125 20.119 -1.757 10.804 1.00 -0.23 N HETATM 1278 CAC UWX A 125 20.774 -2.641 11.800 1.00 0.04 C HETATM 1279 H7 UWX A 125 20.065 -2.870 12.609 1.00 0.05 H HETATM 1280 H8 UWX A 125 21.655 -2.133 12.218 1.00 0.05 H HETATM 1281 H9 UWX A 125 21.087 -3.575 11.311 1.00 0.05 H HETATM 1282 OAE UWX A 125 18.217 -1.758 11.985 1.00 -0.35 O HETATM 1283 OAF UWX A 125 17.045 -0.176 10.204 1.00 -0.35 O HETATM 1284 H17 UWX A 125 22.629 -2.390 10.203 1.00 0.03 H HETATM 1285 H30 UWX A 125 24.320 -1.751 7.097 1.00 0.21 H HETATM 1286 OAG UWX A 125 26.521 -2.256 8.539 1.00 -0.15 O HETATM 1287 OAH UWX A 125 24.840 -2.808 10.296 1.00 -0.15 O HETATM 1288 H15 UWX A 125 26.020 0.690 8.099 1.00 0.06 H HETATM 1289 H13 UWX A 125 26.412 2.890 9.152 1.00 0.06 H HETATM 1290 H27 UWX A 125 26.816 4.063 11.044 1.00 0.04 H HETATM 1291 H28 UWX A 125 26.791 3.289 12.665 1.00 0.04 H HETATM 1292 H29 UWX A 125 24.190 3.484 12.472 1.00 0.03 H HETATM 1293 H1 UWX A 125 23.444 5.396 11.061 1.00 0.02 H HETATM 1294 H2 UWX A 125 24.163 4.095 10.053 1.00 0.02 H HETATM 1295 H3 UWX A 125 25.112 5.575 10.419 1.00 0.02 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1232 1233 1293 1294 1295 CONECT 1233 1232 1234 1238 1292 CONECT 1234 1233 1235 1236 1237 CONECT 1235 1234 CONECT 1236 1234 CONECT 1237 1234 CONECT 1238 1233 1239 1290 1291 CONECT 1239 1238 1240 1244 CONECT 1240 1239 1241 1289 CONECT 1241 1240 1242 1288 CONECT 1242 1241 1243 1247 CONECT 1243 1242 1244 1246 CONECT 1244 1239 1243 1245 CONECT 1245 1244 CONECT 1246 1243 CONECT 1247 1242 1248 1286 1287 CONECT 1248 1247 1249 1285 CONECT 1249 1248 1250 1254 CONECT 1250 1249 1251 1284 CONECT 1251 1250 1252 1277 CONECT 1252 1251 1253 1270 CONECT 1253 1252 1254 1269 CONECT 1254 1249 1253 1255 CONECT 1255 1254 1256 1260 CONECT 1256 1255 1257 1267 1268 CONECT 1257 1256 1258 1265 1266 CONECT 1258 1257 1259 CONECT 1259 1258 1260 1263 1264 CONECT 1260 1255 1259 1261 1262 CONECT 1261 1260 CONECT 1262 1260 CONECT 1263 1259 CONECT 1264 1259 CONECT 1265 1257 CONECT 1266 1257 CONECT 1267 1256 CONECT 1268 1256 CONECT 1269 1253 CONECT 1270 1252 1271 1275 CONECT 1271 1270 1272 1273 1274 CONECT 1272 1271 CONECT 1273 1271 CONECT 1274 1271 CONECT 1275 1270 1276 1283 CONECT 1276 1275 1277 1282 CONECT 1277 1251 1276 1278 CONECT 1278 1277 1279 1280 1281 CONECT 1279 1278 CONECT 1280 1278 CONECT 1281 1278 CONECT 1282 1276 CONECT 1283 1275 CONECT 1284 1250 CONECT 1285 1248 CONECT 1286 1247 CONECT 1287 1247 CONECT 1288 1241 CONECT 1289 1240 CONECT 1290 1238 CONECT 1291 1238 CONECT 1292 1233 CONECT 1293 1232 CONECT 1294 1232 CONECT 1295 1232 MASTER 0 0 0 0 0 0 0 0 1294 1 68 9 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5mwh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4uye
RCSB PDB
PDBbind
118aa, >4UYE_1|Chains... *
5c7n
RCSB PDB
PDBbind
116aa, >5C7N_1|Chain... at 97%
5c85
RCSB PDB
PDBbind
116aa, >5C85_1|Chain... at 97%
5c87
RCSB PDB
PDBbind
116aa, >5C87_1|Chain... at 97%
5d7x
RCSB PDB
PDBbind
116aa, >5D7X_1|Chain... at 97%
5dy7
RCSB PDB
PDBbind
116aa, >5DY7_1|Chain... at 97%
5dya
RCSB PDB
PDBbind
116aa, >5DYA_1|Chain... at 97%
5e3d
RCSB PDB
PDBbind
116aa, >5E3D_1|Chain... at 97%
5e3g
RCSB PDB
PDBbind
116aa, >5E3G_1|Chain... at 97%
5em3
RCSB PDB
PDBbind
116aa, >5EM3_1|Chain... at 97%
5epr
RCSB PDB
PDBbind
116aa, >5EPR_1|Chain... at 97%
5eps
RCSB PDB
PDBbind
116aa, >5EPS_1|Chain... at 97%
5eq1
RCSB PDB
PDBbind
116aa, >5EQ1_1|Chain... at 97%
5etb
RCSB PDB
PDBbind
116aa, >5ETB_1|Chain... at 97%
5eva
RCSB PDB
PDBbind
116aa, >5EVA_1|Chain... at 97%
5ewd
RCSB PDB
PDBbind
116aa, >5EWD_1|Chain... at 97%
5ewh
RCSB PDB
PDBbind
116aa, >5EWH_1|Chain... at 97%
5mwg
RCSB PDB
PDBbind
116aa, >5MWG_1|Chains... at 97%
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
5mwh
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Peregrin
Ligand Name
UWX
EC.Number
E.C.-.-.-.-
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
Kd=1.8uM
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
0
N
4
O
5
S
Molecular Weight
486.584
Exact Mass
486.194
No. of atoms
64
No. of bonds
67
Polar Surface Area
111.02
LOGP Value
2.67 (
Computed with XLOGP3
)
3.29 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
Canonical SMILES
CC(Cc1ccc(cc1)S(=O)(=O)Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)c(=O)n2C)C
InChI String
InChI=1S/C24H30N4O5S/c1-16(2)13-17-5-7-18(8-6-17)34(31,32)25-19-14-21-22(27(4)24(30)23(29)26(21)3)15-20(19)28-9-11-33-12-10-28/h5-8,14-16,25H,9-13H2,1-4H3
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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