Browse entries in the PDBbind-CN Database
HEADER 5O4S_COMPLEX COMPND 5O4S_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 230 62 ATOM 1 N MET A 628 10.613 -7.410 -18.190 1.00 54.62 N ATOM 2 CA MET A 628 9.846 -6.385 -17.495 1.00 57.68 C ATOM 3 C MET A 628 8.544 -6.054 -18.248 1.00 63.01 C ATOM 4 O MET A 628 8.582 -5.572 -19.381 1.00 71.50 O ATOM 5 CB MET A 628 10.703 -5.129 -17.308 1.00 50.06 C ATOM 6 HN3 MET A 628 10.858 -7.072 -19.143 1.00 0.00 H ATOM 7 HN2 MET A 628 10.043 -8.277 -18.264 1.00 0.00 H ATOM 8 HN1 MET A 628 11.484 -7.610 -17.658 1.00 0.00 H ATOM 9 N GLN A 629 7.398 -6.332 -17.621 1.00 67.00 N ATOM 10 CA GLN A 629 6.089 -6.089 -18.228 1.00 61.82 C ATOM 11 C GLN A 629 5.650 -4.650 -17.975 1.00 51.92 C ATOM 12 O GLN A 629 5.819 -4.129 -16.867 1.00 45.48 O ATOM 13 CB GLN A 629 5.047 -7.063 -17.663 1.00 59.17 C ATOM 14 CG GLN A 629 3.655 -6.904 -18.279 1.00 56.22 C ATOM 15 CD GLN A 629 2.715 -8.071 -17.987 1.00 49.77 C ATOM 16 OE1 GLN A 629 1.572 -8.088 -18.451 1.00 49.90 O ATOM 17 NE2 GLN A 629 3.193 -9.050 -17.224 1.00 37.73 N ATOM 18 HE22 GLN A 629 4.163 -8.994 -16.854 1.00 0.00 H ATOM 19 HE21 GLN A 629 2.596 -9.871 -16.997 1.00 0.00 H ATOM 20 H GLN A 629 7.438 -6.737 -16.664 1.00 0.00 H ATOM 21 N LEU A 630 5.077 -4.007 -18.997 1.00 50.09 N ATOM 22 CA LEU A 630 4.700 -2.597 -18.909 1.00 38.08 C ATOM 23 C LEU A 630 3.184 -2.428 -18.914 1.00 34.63 C ATOM 24 O LEU A 630 2.510 -2.749 -19.901 1.00 39.60 O ATOM 25 CB LEU A 630 5.328 -1.783 -20.037 1.00 47.68 C ATOM 26 CG LEU A 630 6.840 -1.556 -19.921 1.00 51.91 C ATOM 27 CD1 LEU A 630 7.263 -0.365 -20.765 1.00 53.61 C ATOM 28 CD2 LEU A 630 7.276 -1.371 -18.472 1.00 49.36 C ATOM 29 H LEU A 630 4.894 -4.524 -19.880 1.00 0.00 H ATOM 30 N THR A 631 2.658 -1.927 -17.807 1.00 37.48 N ATOM 31 CA THR A 631 1.298 -1.442 -17.660 1.00 29.07 C ATOM 32 C THR A 631 1.373 -0.097 -16.962 1.00 29.93 C ATOM 33 O THR A 631 2.372 0.207 -16.296 1.00 29.86 O ATOM 34 CB THR A 631 0.445 -2.403 -16.821 1.00 37.40 C ATOM 35 OG1 THR A 631 0.860 -2.305 -15.453 1.00 32.50 O ATOM 36 CG2 THR A 631 0.631 -3.833 -17.291 1.00 39.30 C ATOM 37 HG1 THR A 631 0.317 -2.921 -14.900 1.00 0.00 H ATOM 38 H THR A 631 3.273 -1.877 -16.970 1.00 0.00 H ATOM 39 N PRO A 632 0.341 0.738 -17.093 1.00 27.45 N ATOM 40 CA PRO A 632 0.360 2.024 -16.378 1.00 26.63 C ATOM 41 C PRO A 632 0.563 1.871 -14.878 1.00 29.40 C ATOM 42 O PRO A 632 1.279 2.671 -14.257 1.00 30.91 O ATOM 43 CB PRO A 632 -1.021 2.611 -16.696 1.00 27.21 C ATOM 44 CG PRO A 632 -1.370 2.014 -18.027 1.00 33.00 C ATOM 45 CD PRO A 632 -0.817 0.625 -18.005 1.00 32.75 C ATOM 46 N PHE A 633 -0.048 0.847 -14.288 1.00 23.82 N ATOM 47 CA PHE A 633 0.097 0.633 -12.844 1.00 25.30 C ATOM 48 C PHE A 633 1.533 0.299 -12.473 1.00 29.77 C ATOM 49 O PHE A 633 2.077 0.842 -11.501 1.00 28.93 O ATOM 50 CB PHE A 633 -0.840 -0.477 -12.382 1.00 29.32 C ATOM 51 CG PHE A 633 -0.679 -0.841 -10.919 1.00 30.26 C ATOM 52 CD1 PHE A 633 -1.050 0.045 -9.928 1.00 34.62 C ATOM 53 CD2 PHE A 633 -0.155 -2.065 -10.555 1.00 26.16 C ATOM 54 CE1 PHE A 633 -0.913 -0.292 -8.577 1.00 33.03 C ATOM 55 CE2 PHE A 633 -0.015 -2.409 -9.216 1.00 30.11 C ATOM 56 CZ PHE A 633 -0.388 -1.518 -8.234 1.00 30.02 C ATOM 57 H PHE A 633 -0.630 0.196 -14.852 1.00 0.00 H ATOM 58 N LEU A 634 2.157 -0.620 -13.218 1.00 29.53 N ATOM 59 CA LEU A 634 3.537 -0.993 -12.920 1.00 31.38 C ATOM 60 C LEU A 634 4.480 0.178 -13.142 1.00 26.83 C ATOM 61 O LEU A 634 5.466 0.328 -12.416 1.00 26.38 O ATOM 62 CB LEU A 634 3.962 -2.190 -13.775 1.00 39.23 C ATOM 63 CG LEU A 634 3.233 -3.514 -13.531 1.00 43.52 C ATOM 64 CD1 LEU A 634 3.601 -4.548 -14.594 1.00 43.58 C ATOM 65 CD2 LEU A 634 3.543 -4.034 -12.141 1.00 42.21 C ATOM 66 H LEU A 634 1.658 -1.070 -14.012 1.00 0.00 H ATOM 67 N ILE A 635 4.205 1.009 -14.151 1.00 29.25 N ATOM 68 CA ILE A 635 5.066 2.167 -14.375 1.00 30.77 C ATOM 69 C ILE A 635 4.929 3.154 -13.223 1.00 26.57 C ATOM 70 O ILE A 635 5.915 3.746 -12.768 1.00 27.13 O ATOM 71 CB ILE A 635 4.744 2.806 -15.734 1.00 33.77 C ATOM 72 CG1 ILE A 635 5.240 1.873 -16.839 1.00 32.61 C ATOM 73 CG2 ILE A 635 5.386 4.192 -15.853 1.00 33.58 C ATOM 74 CD1 ILE A 635 4.693 2.184 -18.202 1.00 38.83 C ATOM 75 H ILE A 635 3.388 0.833 -14.770 1.00 0.00 H ATOM 76 N LEU A 636 3.715 3.317 -12.713 1.00 26.47 N ATOM 77 CA LEU A 636 3.507 4.201 -11.570 1.00 21.88 C ATOM 78 C LEU A 636 4.222 3.674 -10.331 1.00 24.63 C ATOM 79 O LEU A 636 4.803 4.458 -9.568 1.00 25.75 O ATOM 80 CB LEU A 636 2.015 4.369 -11.310 1.00 27.94 C ATOM 81 CG LEU A 636 1.630 5.040 -9.987 1.00 27.27 C ATOM 82 CD1 LEU A 636 2.063 6.493 -9.946 1.00 26.26 C ATOM 83 CD2 LEU A 636 0.136 4.923 -9.717 1.00 35.22 C ATOM 84 H LEU A 636 2.907 2.812 -13.130 1.00 0.00 H ATOM 85 N LEU A 637 4.192 2.353 -10.111 1.00 24.48 N ATOM 86 CA LEU A 637 4.908 1.805 -8.954 1.00 25.45 C ATOM 87 C LEU A 637 6.406 1.982 -9.116 1.00 27.00 C ATOM 88 O LEU A 637 7.106 2.273 -8.139 1.00 25.39 O ATOM 89 CB LEU A 637 4.594 0.324 -8.734 1.00 22.04 C ATOM 90 CG LEU A 637 3.189 -0.078 -8.267 1.00 23.21 C ATOM 91 CD1 LEU A 637 3.149 -1.555 -7.882 1.00 26.46 C ATOM 92 CD2 LEU A 637 2.699 0.800 -7.106 1.00 25.69 C ATOM 93 H LEU A 637 3.668 1.724 -10.752 1.00 0.00 H ATOM 94 N ARG A 638 6.920 1.793 -10.339 1.00 23.57 N ATOM 95 CA ARG A 638 8.342 2.034 -10.584 1.00 24.08 C ATOM 96 C ARG A 638 8.717 3.475 -10.272 1.00 25.09 C ATOM 97 O ARG A 638 9.761 3.744 -9.660 1.00 27.46 O ATOM 98 CB ARG A 638 8.684 1.712 -12.043 1.00 29.23 C ATOM 99 CG ARG A 638 9.245 0.331 -12.271 1.00 43.54 C ATOM 100 CD ARG A 638 10.633 0.186 -11.646 1.00 49.07 C ATOM 101 NE ARG A 638 11.716 0.528 -12.566 1.00 62.31 N ATOM 102 CZ ARG A 638 12.246 -0.328 -13.434 1.00 72.78 C ATOM 103 NH1 ARG A 638 13.233 0.053 -14.235 1.00 75.66 N ATOM 104 NH2 ARG A 638 11.780 -1.568 -13.506 1.00 76.70 N ATOM 105 HE ARG A 638 12.094 1.497 -12.540 1.00 0.00 H ATOM 106 HH12 ARG A 638 13.643 -0.622 -14.912 1.00 0.00 H ATOM 107 HH11 ARG A 638 13.596 1.026 -14.186 1.00 0.00 H ATOM 108 HH22 ARG A 638 12.193 -2.240 -14.184 1.00 0.00 H ATOM 109 HH21 ARG A 638 11.002 -1.868 -12.884 1.00 0.00 H ATOM 110 H ARG A 638 6.307 1.474 -11.116 1.00 0.00 H ATOM 111 N LYS A 639 7.882 4.420 -10.703 1.00 24.21 N ATOM 112 CA LYS A 639 8.169 5.827 -10.459 1.00 23.50 C ATOM 113 C LYS A 639 8.086 6.151 -8.978 1.00 23.06 C ATOM 114 O LYS A 639 8.922 6.895 -8.455 1.00 25.81 O ATOM 115 CB LYS A 639 7.191 6.700 -11.243 1.00 25.62 C ATOM 116 CG LYS A 639 7.365 8.190 -11.019 1.00 28.95 C ATOM 117 CD LYS A 639 6.141 8.942 -11.543 1.00 33.62 C ATOM 118 CE LYS A 639 6.232 10.443 -11.304 1.00 35.35 C ATOM 119 NZ LYS A 639 5.055 11.145 -11.944 1.00 37.92 N ATOM 120 HZ1 LYS A 639 5.058 10.961 -12.968 1.00 0.00 H ATOM 121 HZ2 LYS A 639 4.171 10.786 -11.529 1.00 0.00 H ATOM 122 HZ3 LYS A 639 5.129 12.168 -11.774 1.00 0.00 H ATOM 123 H LYS A 639 7.019 4.151 -11.217 1.00 0.00 H ATOM 124 N THR A 640 7.070 5.607 -8.299 1.00 23.13 N ATOM 125 CA THR A 640 6.891 5.854 -6.868 1.00 20.47 C ATOM 126 C THR A 640 8.042 5.281 -6.059 1.00 24.79 C ATOM 127 O THR A 640 8.532 5.924 -5.115 1.00 22.42 O ATOM 128 CB THR A 640 5.569 5.246 -6.418 1.00 23.78 C ATOM 129 OG1 THR A 640 4.513 5.775 -7.238 1.00 24.15 O ATOM 130 CG2 THR A 640 5.291 5.567 -4.958 1.00 22.99 C ATOM 131 HG1 THR A 640 4.684 5.543 -8.185 1.00 0.00 H ATOM 132 H THR A 640 6.393 4.996 -8.799 1.00 0.00 H ATOM 133 N LEU A 641 8.483 4.068 -6.402 1.00 22.44 N ATOM 134 CA LEU A 641 9.620 3.490 -5.691 1.00 25.77 C ATOM 135 C LEU A 641 10.847 4.374 -5.845 1.00 23.97 C ATOM 136 O LEU A 641 11.591 4.591 -4.883 1.00 25.77 O ATOM 137 CB LEU A 641 9.919 2.074 -6.194 1.00 25.81 C ATOM 138 CG LEU A 641 11.025 1.312 -5.444 1.00 29.99 C ATOM 139 CD1 LEU A 641 10.688 1.159 -3.965 1.00 31.85 C ATOM 140 CD2 LEU A 641 11.281 -0.057 -6.079 1.00 30.55 C ATOM 141 H LEU A 641 8.021 3.539 -7.169 1.00 0.00 H ATOM 142 N GLU A 642 11.058 4.934 -7.036 1.00 23.67 N ATOM 143 CA GLU A 642 12.204 5.823 -7.221 1.00 27.15 C ATOM 144 C GLU A 642 12.064 7.085 -6.384 1.00 23.56 C ATOM 145 O GLU A 642 13.059 7.615 -5.879 1.00 27.80 O ATOM 146 CB GLU A 642 12.355 6.201 -8.696 1.00 27.22 C ATOM 147 CG GLU A 642 12.969 5.128 -9.549 1.00 41.35 C ATOM 148 CD GLU A 642 13.340 5.628 -10.935 1.00 47.74 C ATOM 149 OE1 GLU A 642 13.107 6.824 -11.235 1.00 46.86 O ATOM 150 OE2 GLU A 642 13.868 4.818 -11.723 1.00 48.16 O ATOM 151 H GLU A 642 10.412 4.740 -7.828 1.00 0.00 H ATOM 152 N GLN A 643 10.847 7.618 -6.283 1.00 23.81 N ATOM 153 CA GLN A 643 10.637 8.806 -5.459 1.00 26.07 C ATOM 154 C GLN A 643 10.871 8.506 -3.985 1.00 33.43 C ATOM 155 O GLN A 643 11.414 9.346 -3.259 1.00 26.16 O ATOM 156 CB GLN A 643 9.230 9.356 -5.686 1.00 26.53 C ATOM 157 CG GLN A 643 9.051 9.954 -7.080 1.00 27.48 C ATOM 158 CD GLN A 643 7.600 10.319 -7.385 1.00 31.35 C ATOM 159 OE1 GLN A 643 7.320 11.324 -8.045 1.00 41.83 O ATOM 160 NE2 GLN A 643 6.682 9.496 -6.928 1.00 28.82 N ATOM 161 HE22 GLN A 643 6.961 8.660 -6.376 1.00 0.00 H ATOM 162 HE21 GLN A 643 5.676 9.681 -7.119 1.00 0.00 H ATOM 163 H GLN A 643 10.047 7.189 -6.790 1.00 0.00 H ATOM 164 N LEU A 644 10.471 7.318 -3.523 1.00 28.05 N ATOM 165 CA LEU A 644 10.745 6.952 -2.131 1.00 24.70 C ATOM 166 C LEU A 644 12.236 6.780 -1.890 1.00 29.62 C ATOM 167 O LEU A 644 12.760 7.250 -0.874 1.00 28.66 O ATOM 168 CB LEU A 644 9.994 5.674 -1.755 1.00 23.92 C ATOM 169 CG LEU A 644 8.468 5.810 -1.786 1.00 27.14 C ATOM 170 CD1 LEU A 644 7.788 4.444 -1.749 1.00 26.70 C ATOM 171 CD2 LEU A 644 7.979 6.674 -0.621 1.00 26.01 C ATOM 172 H LEU A 644 9.968 6.656 -4.148 1.00 0.00 H ATOM 173 N GLN A 645 12.945 6.109 -2.805 1.00 24.65 N ATOM 174 CA GLN A 645 14.382 5.939 -2.594 1.00 25.93 C ATOM 175 C GLN A 645 15.117 7.270 -2.611 1.00 29.85 C ATOM 176 O GLN A 645 16.166 7.404 -1.965 1.00 29.84 O ATOM 177 CB GLN A 645 14.985 4.998 -3.638 1.00 26.18 C ATOM 178 CG GLN A 645 14.470 3.594 -3.516 1.00 31.78 C ATOM 179 CD GLN A 645 15.430 2.570 -4.047 1.00 36.47 C ATOM 180 OE1 GLN A 645 15.145 1.899 -5.038 1.00 38.44 O ATOM 181 NE2 GLN A 645 16.581 2.427 -3.381 1.00 39.76 N ATOM 182 HE22 GLN A 645 16.777 3.018 -2.548 1.00 0.00 H ATOM 183 HE21 GLN A 645 17.280 1.725 -3.696 1.00 0.00 H ATOM 184 H GLN A 645 12.483 5.716 -3.650 1.00 0.00 H ATOM 185 N GLU A 646 14.593 8.259 -3.347 1.00 25.01 N ATOM 186 CA GLU A 646 15.216 9.579 -3.380 1.00 31.31 C ATOM 187 C GLU A 646 15.172 10.250 -2.016 1.00 32.65 C ATOM 188 O GLU A 646 16.041 11.071 -1.702 1.00 33.62 O ATOM 189 CB GLU A 646 14.534 10.482 -4.409 1.00 39.70 C ATOM 190 CG GLU A 646 14.949 10.264 -5.843 1.00 50.85 C ATOM 191 CD GLU A 646 14.186 11.164 -6.802 1.00 65.98 C ATOM 192 OE1 GLU A 646 13.620 12.182 -6.345 1.00 69.70 O ATOM 193 OE2 GLU A 646 14.146 10.850 -8.010 1.00 71.21 O ATOM 194 H GLU A 646 13.731 8.084 -3.902 1.00 0.00 H ATOM 195 N LYS A 647 14.167 9.925 -1.201 1.00 31.08 N ATOM 196 CA LYS A 647 14.079 10.484 0.142 1.00 30.54 C ATOM 197 C LYS A 647 15.092 9.864 1.089 1.00 31.89 C ATOM 198 O LYS A 647 15.407 10.473 2.114 1.00 32.97 O ATOM 199 CB LYS A 647 12.679 10.286 0.722 1.00 28.90 C ATOM 200 CG LYS A 647 11.551 10.891 -0.127 1.00 26.81 C ATOM 201 CD LYS A 647 11.781 12.379 -0.357 1.00 34.51 C ATOM 202 CE LYS A 647 10.599 13.028 -1.078 1.00 37.87 C ATOM 203 NZ LYS A 647 10.874 14.469 -1.356 1.00 34.63 N ATOM 204 HZ1 LYS A 647 11.036 14.969 -0.459 1.00 0.00 H ATOM 205 HZ2 LYS A 647 11.719 14.550 -1.957 1.00 0.00 H ATOM 206 HZ3 LYS A 647 10.058 14.888 -1.846 1.00 0.00 H ATOM 207 H LYS A 647 13.435 9.263 -1.529 1.00 0.00 H ATOM 208 N ASP A 648 15.573 8.659 0.781 1.00 29.86 N ATOM 209 CA ASP A 648 16.569 7.958 1.595 1.00 29.49 C ATOM 210 C ASP A 648 17.945 8.357 1.071 1.00 26.56 C ATOM 211 O ASP A 648 18.614 7.624 0.341 1.00 29.40 O ATOM 212 CB ASP A 648 16.323 6.453 1.533 1.00 29.93 C ATOM 213 CG ASP A 648 17.422 5.630 2.191 1.00 33.09 C ATOM 214 OD1 ASP A 648 18.163 6.159 3.049 1.00 28.74 O ATOM 215 OD2 ASP A 648 17.541 4.440 1.830 1.00 27.54 O ATOM 216 H ASP A 648 15.223 8.193 -0.081 1.00 0.00 H ATOM 217 N THR A 649 18.351 9.577 1.428 1.00 31.14 N ATOM 218 CA THR A 649 19.556 10.163 0.848 1.00 32.28 C ATOM 219 C THR A 649 20.832 9.486 1.339 1.00 31.87 C ATOM 220 O THR A 649 21.864 9.587 0.672 1.00 30.39 O ATOM 221 CB THR A 649 19.614 11.663 1.147 1.00 35.69 C ATOM 222 OG1 THR A 649 19.690 11.874 2.559 1.00 37.43 O ATOM 223 CG2 THR A 649 18.367 12.352 0.627 1.00 34.08 C ATOM 224 HG1 THR A 649 18.890 11.484 2.993 1.00 0.00 H ATOM 225 H THR A 649 17.803 10.117 2.128 1.00 0.00 H ATOM 226 N GLY A 650 20.784 8.796 2.469 1.00 26.40 N ATOM 227 CA GLY A 650 21.922 8.029 2.935 1.00 27.72 C ATOM 228 C GLY A 650 21.989 6.614 2.412 1.00 29.61 C ATOM 229 O GLY A 650 22.946 5.890 2.705 1.00 28.61 O ATOM 230 H GLY A 650 19.911 8.805 3.034 1.00 0.00 H ATOM 231 N ASN A 651 20.981 6.192 1.642 1.00 29.50 N ATOM 232 CA ASN A 651 20.871 4.825 1.131 1.00 24.36 C ATOM 233 C ASN A 651 20.886 3.791 2.244 1.00 28.94 C ATOM 234 O ASN A 651 21.335 2.664 2.049 1.00 28.91 O ATOM 235 CB ASN A 651 21.957 4.508 0.102 1.00 32.46 C ATOM 236 CG ASN A 651 21.771 5.278 -1.182 1.00 33.34 C ATOM 237 OD1 ASN A 651 20.708 5.846 -1.421 1.00 33.64 O ATOM 238 ND2 ASN A 651 22.804 5.313 -2.010 1.00 34.90 N ATOM 239 HD22 ASN A 651 23.684 4.816 -1.765 1.00 0.00 H ATOM 240 HD21 ASN A 651 22.735 5.837 -2.906 1.00 0.00 H ATOM 241 H ASN A 651 20.235 6.872 1.393 1.00 0.00 H ATOM 242 N ILE A 652 20.387 4.143 3.428 1.00 26.67 N ATOM 243 CA ILE A 652 20.475 3.172 4.505 1.00 26.14 C ATOM 244 C ILE A 652 19.387 2.111 4.416 1.00 24.68 C ATOM 245 O ILE A 652 19.513 1.055 5.053 1.00 26.88 O ATOM 246 CB ILE A 652 20.465 3.892 5.860 1.00 33.23 C ATOM 247 CG1 ILE A 652 19.155 4.618 6.072 1.00 34.08 C ATOM 248 CG2 ILE A 652 21.630 4.895 5.921 1.00 33.56 C ATOM 249 CD1 ILE A 652 18.998 5.097 7.479 1.00 40.70 C ATOM 250 H ILE A 652 19.952 5.076 3.575 1.00 0.00 H ATOM 251 N PHE A 653 18.342 2.345 3.618 1.00 25.31 N ATOM 252 CA PHE A 653 17.267 1.381 3.399 1.00 22.04 C ATOM 253 C PHE A 653 17.342 0.742 2.015 1.00 26.90 C ATOM 254 O PHE A 653 16.392 0.073 1.603 1.00 27.64 O ATOM 255 CB PHE A 653 15.911 2.064 3.570 1.00 23.86 C ATOM 256 CG PHE A 653 15.745 2.730 4.903 1.00 24.50 C ATOM 257 CD1 PHE A 653 15.690 1.972 6.057 1.00 25.76 C ATOM 258 CD2 PHE A 653 15.670 4.107 5.001 1.00 26.00 C ATOM 259 CE1 PHE A 653 15.549 2.570 7.297 1.00 24.12 C ATOM 260 CE2 PHE A 653 15.524 4.720 6.244 1.00 24.51 C ATOM 261 CZ PHE A 653 15.463 3.943 7.391 1.00 25.58 C ATOM 262 H PHE A 653 18.291 3.261 3.127 1.00 0.00 H ATOM 263 N SER A 654 18.455 0.917 1.299 1.00 27.78 N ATOM 264 CA SER A 654 18.541 0.468 -0.087 1.00 28.80 C ATOM 265 C SER A 654 18.696 -1.043 -0.211 1.00 31.83 C ATOM 266 O SER A 654 18.331 -1.609 -1.247 1.00 32.45 O ATOM 267 CB SER A 654 19.707 1.169 -0.794 1.00 28.87 C ATOM 268 OG SER A 654 20.955 0.810 -0.224 1.00 29.51 O ATOM 269 HG SER A 654 20.967 1.069 0.731 1.00 0.00 H ATOM 270 H SER A 654 19.276 1.382 1.737 1.00 0.00 H ATOM 271 N GLU A 655 19.239 -1.708 0.801 1.00 30.02 N ATOM 272 CA GLU A 655 19.470 -3.142 0.763 1.00 29.76 C ATOM 273 C GLU A 655 19.063 -3.761 2.088 1.00 29.44 C ATOM 274 O GLU A 655 18.886 -3.049 3.082 1.00 32.88 O ATOM 275 CB GLU A 655 20.948 -3.447 0.457 1.00 33.78 C ATOM 276 CG GLU A 655 21.334 -3.023 -0.944 1.00 36.46 C ATOM 277 CD GLU A 655 22.739 -3.422 -1.323 1.00 48.63 C ATOM 278 OE1 GLU A 655 23.155 -3.087 -2.451 1.00 53.85 O ATOM 279 OE2 GLU A 655 23.420 -4.069 -0.505 1.00 54.09 O ATOM 280 H GLU A 655 19.510 -1.181 1.656 1.00 0.00 H ATOM 281 N PRO A 656 18.869 -5.082 2.130 1.00 33.04 N ATOM 282 CA PRO A 656 18.489 -5.726 3.391 1.00 33.48 C ATOM 283 C PRO A 656 19.463 -5.367 4.500 1.00 32.61 C ATOM 284 O PRO A 656 20.669 -5.235 4.268 1.00 32.88 O ATOM 285 CB PRO A 656 18.545 -7.220 3.057 1.00 33.84 C ATOM 286 CG PRO A 656 18.302 -7.280 1.603 1.00 33.24 C ATOM 287 CD PRO A 656 18.945 -6.058 1.024 1.00 35.31 C ATOM 288 N VAL A 657 18.919 -5.153 5.694 1.00 34.30 N ATOM 289 CA VAL A 657 19.717 -4.971 6.903 1.00 33.35 C ATOM 290 C VAL A 657 20.697 -6.134 6.960 1.00 34.24 C ATOM 291 O VAL A 657 20.276 -7.300 6.882 1.00 31.89 O ATOM 292 CB VAL A 657 18.828 -4.902 8.156 1.00 35.09 C ATOM 293 CG1 VAL A 657 19.660 -4.957 9.420 1.00 36.21 C ATOM 294 CG2 VAL A 657 17.974 -3.641 8.137 1.00 35.97 C ATOM 295 H VAL A 657 17.883 -5.114 5.770 1.00 0.00 H ATOM 296 N PRO A 658 22.014 -5.861 7.077 1.00 35.11 N ATOM 297 CA PRO A 658 23.017 -6.928 6.953 1.00 41.10 C ATOM 298 C PRO A 658 23.085 -7.806 8.190 1.00 42.11 C ATOM 299 O PRO A 658 23.607 -7.388 9.227 1.00 42.70 O ATOM 300 CB PRO A 658 24.325 -6.152 6.744 1.00 39.55 C ATOM 301 CG PRO A 658 24.100 -4.865 7.469 1.00 34.64 C ATOM 302 CD PRO A 658 22.628 -4.540 7.293 1.00 34.42 C ATOM 303 N LEU A 659 22.575 -9.034 8.080 1.00 37.56 N ATOM 304 CA LEU A 659 22.470 -9.904 9.245 1.00 39.05 C ATOM 305 C LEU A 659 23.835 -10.293 9.793 1.00 44.05 C ATOM 306 O LEU A 659 23.939 -10.640 10.974 1.00 52.46 O ATOM 307 CB LEU A 659 21.662 -11.150 8.886 1.00 47.14 C ATOM 308 CG LEU A 659 20.323 -10.854 8.206 1.00 48.25 C ATOM 309 CD1 LEU A 659 19.654 -12.139 7.746 1.00 53.13 C ATOM 310 CD2 LEU A 659 19.407 -10.066 9.129 1.00 47.48 C ATOM 311 H LEU A 659 22.249 -9.374 7.153 1.00 0.00 H ATOM 312 N SER A 660 24.882 -10.238 8.968 1.00 45.46 N ATOM 313 CA SER A 660 26.229 -10.474 9.482 1.00 49.89 C ATOM 314 C SER A 660 26.595 -9.432 10.533 1.00 52.03 C ATOM 315 O SER A 660 27.115 -9.767 11.603 1.00 52.78 O ATOM 316 CB SER A 660 27.241 -10.474 8.334 1.00 55.98 C ATOM 317 OG SER A 660 27.502 -9.162 7.866 1.00 61.34 O ATOM 318 HG SER A 660 28.159 -9.201 7.126 1.00 0.00 H ATOM 319 H SER A 660 24.739 -10.027 7.960 1.00 0.00 H ATOM 320 N GLU A 661 26.324 -8.156 10.245 1.00 48.52 N ATOM 321 CA GLU A 661 26.577 -7.094 11.211 1.00 49.07 C ATOM 322 C GLU A 661 25.605 -7.128 12.380 1.00 48.86 C ATOM 323 O GLU A 661 25.929 -6.613 13.455 1.00 48.53 O ATOM 324 CB GLU A 661 26.491 -5.726 10.533 1.00 52.83 C ATOM 325 CG GLU A 661 27.433 -5.543 9.361 1.00 58.50 C ATOM 326 CD GLU A 661 28.804 -5.035 9.773 1.00 64.47 C ATOM 327 OE1 GLU A 661 29.100 -4.991 10.991 1.00 64.84 O ATOM 328 OE2 GLU A 661 29.585 -4.671 8.869 1.00 64.63 O ATOM 329 H GLU A 661 25.925 -7.916 9.315 1.00 0.00 H ATOM 330 N VAL A 662 24.424 -7.710 12.191 1.00 47.76 N ATOM 331 CA VAL A 662 23.346 -7.649 13.173 1.00 45.98 C ATOM 332 C VAL A 662 22.803 -9.050 13.437 1.00 49.44 C ATOM 333 O VAL A 662 21.674 -9.356 13.032 1.00 46.18 O ATOM 334 CB VAL A 662 22.215 -6.725 12.690 1.00 51.84 C ATOM 335 CG1 VAL A 662 21.427 -6.222 13.862 1.00 54.66 C ATOM 336 CG2 VAL A 662 22.769 -5.564 11.875 1.00 54.78 C ATOM 337 H VAL A 662 24.262 -8.231 11.306 1.00 0.00 H ATOM 338 N PRO A 663 23.542 -9.917 14.134 1.00 44.93 N ATOM 339 CA PRO A 663 23.120 -11.326 14.236 1.00 46.29 C ATOM 340 C PRO A 663 21.774 -11.544 14.919 1.00 45.44 C ATOM 341 O PRO A 663 21.138 -12.576 14.672 1.00 52.79 O ATOM 342 CB PRO A 663 24.259 -11.975 15.038 1.00 49.16 C ATOM 343 CG PRO A 663 25.421 -11.051 14.869 1.00 47.18 C ATOM 344 CD PRO A 663 24.837 -9.678 14.791 1.00 51.65 C ATOM 345 N ASP A 664 21.316 -10.632 15.771 1.00 46.88 N ATOM 346 CA ASP A 664 20.051 -10.832 16.469 1.00 45.66 C ATOM 347 C ASP A 664 18.861 -10.221 15.741 1.00 44.25 C ATOM 348 O ASP A 664 17.749 -10.254 16.274 1.00 43.96 O ATOM 349 CB ASP A 664 20.122 -10.248 17.882 1.00 51.34 C ATOM 350 CG ASP A 664 20.233 -8.737 17.885 1.00 57.76 C ATOM 351 OD1 ASP A 664 20.693 -8.167 16.874 1.00 59.83 O ATOM 352 OD2 ASP A 664 19.862 -8.117 18.903 1.00 62.09 O ATOM 353 H ASP A 664 21.866 -9.766 15.942 1.00 0.00 H ATOM 354 N TYR A 665 19.067 -9.667 14.545 1.00 47.79 N ATOM 355 CA TYR A 665 18.015 -8.879 13.908 1.00 43.83 C ATOM 356 C TYR A 665 16.751 -9.702 13.695 1.00 44.11 C ATOM 357 O TYR A 665 15.642 -9.231 13.968 1.00 45.74 O ATOM 358 CB TYR A 665 18.522 -8.308 12.584 1.00 40.04 C ATOM 359 CG TYR A 665 17.571 -7.326 11.933 1.00 38.14 C ATOM 360 CD1 TYR A 665 17.442 -6.028 12.415 1.00 37.58 C ATOM 361 CD2 TYR A 665 16.814 -7.691 10.825 1.00 41.62 C ATOM 362 CE1 TYR A 665 16.580 -5.118 11.811 1.00 36.24 C ATOM 363 CE2 TYR A 665 15.946 -6.794 10.225 1.00 34.65 C ATOM 364 CZ TYR A 665 15.836 -5.512 10.720 1.00 34.68 C ATOM 365 OH TYR A 665 14.973 -4.618 10.125 1.00 29.69 O ATOM 366 HH TYR A 665 15.017 -3.751 10.602 1.00 0.00 H ATOM 367 H TYR A 665 19.980 -9.797 14.064 1.00 0.00 H ATOM 368 N LEU A 666 16.895 -10.940 13.215 1.00 46.03 N ATOM 369 CA LEU A 666 15.723 -11.767 12.958 1.00 46.52 C ATOM 370 C LEU A 666 15.043 -12.256 14.229 1.00 50.62 C ATOM 371 O LEU A 666 13.912 -12.747 14.147 1.00 49.58 O ATOM 372 CB LEU A 666 16.098 -12.961 12.084 1.00 46.38 C ATOM 373 CG LEU A 666 16.591 -12.613 10.679 1.00 48.87 C ATOM 374 CD1 LEU A 666 16.770 -13.866 9.838 1.00 54.40 C ATOM 375 CD2 LEU A 666 15.628 -11.647 10.010 1.00 43.57 C ATOM 376 H LEU A 666 17.846 -11.315 13.024 1.00 0.00 H ATOM 377 N ASP A 667 15.691 -12.142 15.394 1.00 48.82 N ATOM 378 CA ASP A 667 15.005 -12.466 16.642 1.00 54.70 C ATOM 379 C ASP A 667 13.809 -11.550 16.860 1.00 51.31 C ATOM 380 O ASP A 667 12.778 -11.980 17.391 1.00 51.62 O ATOM 381 CB ASP A 667 15.960 -12.357 17.833 1.00 59.19 C ATOM 382 CG ASP A 667 17.052 -13.408 17.813 1.00 66.15 C ATOM 383 OD1 ASP A 667 17.078 -14.237 16.881 1.00 69.38 O ATOM 384 OD2 ASP A 667 17.888 -13.402 18.742 1.00 71.22 O ATOM 385 H ASP A 667 16.681 -11.823 15.411 1.00 0.00 H ATOM 386 N HIS A 668 13.927 -10.285 16.453 1.00 47.37 N ATOM 387 CA HIS A 668 12.915 -9.277 16.743 1.00 47.51 C ATOM 388 C HIS A 668 12.062 -8.908 15.540 1.00 41.64 C ATOM 389 O HIS A 668 10.920 -8.472 15.717 1.00 45.80 O ATOM 390 CB HIS A 668 13.573 -7.998 17.275 1.00 53.28 C ATOM 391 CG HIS A 668 14.349 -8.193 18.540 1.00 63.79 C ATOM 392 ND1 HIS A 668 15.707 -8.430 18.551 1.00 66.03 N ATOM 393 CD2 HIS A 668 13.959 -8.178 19.836 1.00 65.35 C ATOM 394 CE1 HIS A 668 16.120 -8.556 19.799 1.00 66.05 C ATOM 395 NE2 HIS A 668 15.079 -8.408 20.598 1.00 66.31 N ATOM 396 H HIS A 668 14.770 -10.009 15.910 1.00 0.00 H ATOM 397 N ILE A 669 12.586 -9.068 14.329 1.00 43.86 N ATOM 398 CA ILE A 669 11.938 -8.586 13.111 1.00 32.30 C ATOM 399 C ILE A 669 11.446 -9.789 12.321 1.00 39.31 C ATOM 400 O ILE A 669 12.249 -10.606 11.855 1.00 45.41 O ATOM 401 CB ILE A 669 12.895 -7.720 12.281 1.00 30.10 C ATOM 402 CG1 ILE A 669 13.295 -6.477 13.076 1.00 38.00 C ATOM 403 CG2 ILE A 669 12.251 -7.320 10.949 1.00 33.59 C ATOM 404 CD1 ILE A 669 12.124 -5.684 13.607 1.00 38.91 C ATOM 405 H ILE A 669 13.499 -9.559 14.244 1.00 0.00 H ATOM 406 N LYS A 670 10.122 -9.889 12.160 1.00 40.11 N ATOM 407 CA LYS A 670 9.517 -11.059 11.529 1.00 39.53 C ATOM 408 C LYS A 670 9.622 -11.013 10.010 1.00 44.99 C ATOM 409 O LYS A 670 9.817 -12.052 9.367 1.00 44.72 O ATOM 410 CB LYS A 670 8.052 -11.179 11.942 1.00 37.15 C ATOM 411 H LYS A 670 9.510 -9.116 12.491 1.00 0.00 H ATOM 412 N LYS A 671 9.479 -9.832 9.414 1.00 37.66 N ATOM 413 CA LYS A 671 9.510 -9.693 7.959 1.00 36.36 C ATOM 414 C LYS A 671 10.403 -8.520 7.584 1.00 32.42 C ATOM 415 O LYS A 671 9.929 -7.381 7.451 1.00 29.03 O ATOM 416 CB LYS A 671 8.106 -9.520 7.390 1.00 39.80 C ATOM 417 CG LYS A 671 8.095 -9.611 5.869 1.00 43.89 C ATOM 418 CD LYS A 671 6.706 -9.450 5.284 1.00 47.52 C ATOM 419 CE LYS A 671 6.792 -9.421 3.762 1.00 43.70 C ATOM 420 NZ LYS A 671 5.511 -9.013 3.105 1.00 45.69 N ATOM 421 HZ1 LYS A 671 4.761 -9.685 3.364 1.00 0.00 H ATOM 422 HZ2 LYS A 671 5.248 -8.058 3.423 1.00 0.00 H ATOM 423 HZ3 LYS A 671 5.637 -9.014 2.073 1.00 0.00 H ATOM 424 H LYS A 671 9.341 -8.984 10.000 1.00 0.00 H ATOM 425 N PRO A 672 11.707 -8.757 7.428 1.00 35.20 N ATOM 426 CA PRO A 672 12.605 -7.689 6.972 1.00 34.11 C ATOM 427 C PRO A 672 12.153 -7.137 5.631 1.00 30.82 C ATOM 428 O PRO A 672 11.555 -7.844 4.817 1.00 32.90 O ATOM 429 CB PRO A 672 13.966 -8.390 6.853 1.00 33.88 C ATOM 430 CG PRO A 672 13.866 -9.582 7.744 1.00 35.53 C ATOM 431 CD PRO A 672 12.422 -10.017 7.699 1.00 34.95 C ATOM 432 N MET A 673 12.461 -5.862 5.397 1.00 26.29 N ATOM 433 CA MET A 673 12.126 -5.233 4.125 1.00 27.20 C ATOM 434 C MET A 673 13.134 -4.132 3.819 1.00 26.39 C ATOM 435 O MET A 673 13.718 -3.533 4.722 1.00 26.66 O ATOM 436 CB MET A 673 10.693 -4.680 4.136 1.00 29.23 C ATOM 437 CG MET A 673 10.145 -4.280 2.758 1.00 22.90 C ATOM 438 SD MET A 673 10.345 -5.508 1.426 1.00 28.73 S ATOM 439 CE MET A 673 9.483 -6.909 2.127 1.00 30.55 C ATOM 440 H MET A 673 12.947 -5.308 6.131 1.00 0.00 H ATOM 441 N ASP A 674 13.341 -3.890 2.527 1.00 24.79 N ATOM 442 CA ASP A 674 14.249 -2.866 2.036 1.00 21.67 C ATOM 443 C ASP A 674 13.808 -2.518 0.623 1.00 24.99 C ATOM 444 O ASP A 674 12.971 -3.206 0.034 1.00 28.07 O ATOM 445 CB ASP A 674 15.691 -3.369 2.042 1.00 26.98 C ATOM 446 CG ASP A 674 15.851 -4.581 1.159 1.00 31.97 C ATOM 447 OD1 ASP A 674 15.505 -5.694 1.605 1.00 37.16 O ATOM 448 OD2 ASP A 674 16.236 -4.400 -0.006 1.00 32.15 O ATOM 449 H ASP A 674 12.825 -4.465 1.830 1.00 0.00 H ATOM 450 N PHE A 675 14.414 -1.466 0.061 1.00 22.10 N ATOM 451 CA PHE A 675 13.980 -1.011 -1.261 1.00 23.15 C ATOM 452 C PHE A 675 14.407 -1.959 -2.374 1.00 26.01 C ATOM 453 O PHE A 675 13.732 -2.033 -3.402 1.00 26.79 O ATOM 454 CB PHE A 675 14.524 0.382 -1.557 1.00 26.32 C ATOM 455 CG PHE A 675 13.825 1.480 -0.819 1.00 24.75 C ATOM 456 CD1 PHE A 675 12.444 1.608 -0.869 1.00 24.55 C ATOM 457 CD2 PHE A 675 14.552 2.389 -0.068 1.00 27.16 C ATOM 458 CE1 PHE A 675 11.805 2.631 -0.183 1.00 28.06 C ATOM 459 CE2 PHE A 675 13.923 3.408 0.615 1.00 27.35 C ATOM 460 CZ PHE A 675 12.552 3.533 0.565 1.00 30.24 C ATOM 461 H PHE A 675 15.185 -0.977 0.558 1.00 0.00 H ATOM 462 N PHE A 676 15.523 -2.673 -2.215 1.00 26.67 N ATOM 463 CA PHE A 676 15.911 -3.631 -3.252 1.00 27.86 C ATOM 464 C PHE A 676 14.929 -4.795 -3.312 1.00 28.19 C ATOM 465 O PHE A 676 14.498 -5.203 -4.394 1.00 31.97 O ATOM 466 CB PHE A 676 17.331 -4.147 -3.012 1.00 31.39 C ATOM 467 CG PHE A 676 17.763 -5.171 -4.021 1.00 36.20 C ATOM 468 CD1 PHE A 676 18.078 -4.791 -5.305 1.00 37.39 C ATOM 469 CD2 PHE A 676 17.815 -6.516 -3.690 1.00 47.92 C ATOM 470 CE1 PHE A 676 18.461 -5.734 -6.247 1.00 47.13 C ATOM 471 CE2 PHE A 676 18.194 -7.463 -4.627 1.00 44.54 C ATOM 472 CZ PHE A 676 18.516 -7.071 -5.902 1.00 45.68 C ATOM 473 H PHE A 676 16.110 -2.551 -1.365 1.00 0.00 H ATOM 474 N THR A 677 14.560 -5.343 -2.151 1.00 25.58 N ATOM 475 CA THR A 677 13.542 -6.389 -2.119 1.00 25.72 C ATOM 476 C THR A 677 12.247 -5.912 -2.766 1.00 30.13 C ATOM 477 O THR A 677 11.617 -6.654 -3.536 1.00 29.33 O ATOM 478 CB THR A 677 13.300 -6.834 -0.671 1.00 31.32 C ATOM 479 OG1 THR A 677 14.527 -7.347 -0.132 1.00 33.41 O ATOM 480 CG2 THR A 677 12.244 -7.927 -0.605 1.00 33.73 C ATOM 481 HG1 THR A 677 15.218 -6.638 -0.154 1.00 0.00 H ATOM 482 H THR A 677 15.000 -5.023 -1.265 1.00 0.00 H ATOM 483 N MET A 678 11.848 -4.666 -2.492 1.00 28.54 N ATOM 484 CA MET A 678 10.648 -4.123 -3.125 1.00 23.93 C ATOM 485 C MET A 678 10.801 -4.066 -4.639 1.00 25.48 C ATOM 486 O MET A 678 9.855 -4.378 -5.376 1.00 27.88 O ATOM 487 CB MET A 678 10.337 -2.726 -2.591 1.00 24.42 C ATOM 488 CG MET A 678 9.831 -2.735 -1.164 1.00 26.39 C ATOM 489 SD MET A 678 9.226 -1.147 -0.610 1.00 27.10 S ATOM 490 CE MET A 678 7.760 -0.923 -1.667 1.00 26.64 C ATOM 491 H MET A 678 12.393 -4.081 -1.827 1.00 0.00 H ATOM 492 N LYS A 679 11.969 -3.633 -5.119 1.00 25.72 N ATOM 493 CA LYS A 679 12.194 -3.559 -6.563 1.00 30.53 C ATOM 494 C LYS A 679 12.099 -4.937 -7.200 1.00 28.87 C ATOM 495 O LYS A 679 11.547 -5.090 -8.295 1.00 30.74 O ATOM 496 CB LYS A 679 13.563 -2.936 -6.852 1.00 29.67 C ATOM 497 CG LYS A 679 13.841 -2.703 -8.331 1.00 34.59 C ATOM 498 CD LYS A 679 15.290 -2.273 -8.568 1.00 37.67 C ATOM 499 H LYS A 679 12.723 -3.347 -4.463 1.00 0.00 H ATOM 500 N GLN A 680 12.631 -5.957 -6.521 1.00 28.84 N ATOM 501 CA GLN A 680 12.571 -7.313 -7.058 1.00 32.32 C ATOM 502 C GLN A 680 11.141 -7.834 -7.067 1.00 33.19 C ATOM 503 O GLN A 680 10.719 -8.495 -8.026 1.00 32.97 O ATOM 504 CB GLN A 680 13.476 -8.229 -6.236 1.00 29.92 C ATOM 505 CG GLN A 680 14.929 -7.774 -6.225 1.00 35.36 C ATOM 506 CD GLN A 680 15.604 -7.953 -7.569 1.00 46.21 C ATOM 507 OE1 GLN A 680 15.390 -7.172 -8.496 1.00 44.16 O ATOM 508 NE2 GLN A 680 16.424 -8.993 -7.683 1.00 49.71 N ATOM 509 HE22 GLN A 680 16.575 -9.627 -6.873 1.00 0.00 H ATOM 510 HE21 GLN A 680 16.914 -9.172 -8.582 1.00 0.00 H ATOM 511 H GLN A 680 13.091 -5.784 -5.604 1.00 0.00 H ATOM 512 N ASN A 681 10.392 -7.553 -5.998 1.00 26.95 N ATOM 513 CA ASN A 681 8.965 -7.858 -5.968 1.00 28.06 C ATOM 514 C ASN A 681 8.254 -7.188 -7.134 1.00 33.13 C ATOM 515 O ASN A 681 7.451 -7.814 -7.839 1.00 29.48 O ATOM 516 CB ASN A 681 8.355 -7.380 -4.642 1.00 27.74 C ATOM 517 CG ASN A 681 8.673 -8.292 -3.478 1.00 34.13 C ATOM 518 OD1 ASN A 681 8.576 -7.891 -2.304 1.00 34.93 O ATOM 519 ND2 ASN A 681 9.046 -9.522 -3.783 1.00 30.91 N ATOM 520 HD22 ASN A 681 9.113 -9.813 -4.779 1.00 0.00 H ATOM 521 HD21 ASN A 681 9.273 -10.199 -3.027 1.00 0.00 H ATOM 522 H ASN A 681 10.835 -7.107 -5.169 1.00 0.00 H ATOM 523 N LEU A 682 8.549 -5.905 -7.349 1.00 26.31 N ATOM 524 CA LEU A 682 7.897 -5.142 -8.411 1.00 33.06 C ATOM 525 C LEU A 682 8.222 -5.720 -9.784 1.00 35.46 C ATOM 526 O LEU A 682 7.324 -5.943 -10.608 1.00 38.21 O ATOM 527 CB LEU A 682 8.328 -3.673 -8.312 1.00 35.39 C ATOM 528 CG LEU A 682 7.673 -2.573 -9.152 1.00 43.70 C ATOM 529 CD1 LEU A 682 8.013 -1.221 -8.555 1.00 47.63 C ATOM 530 CD2 LEU A 682 8.139 -2.612 -10.580 1.00 47.18 C ATOM 531 H LEU A 682 9.258 -5.438 -6.748 1.00 0.00 H ATOM 532 N GLU A 683 9.510 -5.955 -10.053 1.00 26.83 N ATOM 533 CA GLU A 683 9.934 -6.442 -11.362 1.00 33.34 C ATOM 534 C GLU A 683 9.446 -7.855 -11.647 1.00 35.97 C ATOM 535 O GLU A 683 9.292 -8.218 -12.819 1.00 35.86 O ATOM 536 CB GLU A 683 11.453 -6.376 -11.476 1.00 33.42 C ATOM 537 CG GLU A 683 12.002 -4.961 -11.493 1.00 37.60 C ATOM 538 CD GLU A 683 13.500 -4.926 -11.721 1.00 45.62 C ATOM 539 OE1 GLU A 683 13.990 -3.921 -12.275 1.00 50.84 O ATOM 540 OE2 GLU A 683 14.186 -5.905 -11.359 1.00 51.14 O ATOM 541 H GLU A 683 10.224 -5.788 -9.315 1.00 0.00 H ATOM 542 N ALA A 684 9.195 -8.653 -10.614 1.00 31.05 N ATOM 543 CA ALA A 684 8.614 -9.976 -10.793 1.00 34.34 C ATOM 544 C ALA A 684 7.100 -9.936 -10.905 1.00 27.74 C ATOM 545 O ALA A 684 6.469 -11.002 -10.941 1.00 34.57 O ATOM 546 CB ALA A 684 9.015 -10.893 -9.631 1.00 35.78 C ATOM 547 H ALA A 684 9.419 -8.324 -9.653 1.00 0.00 H ATOM 548 N TYR A 685 6.509 -8.741 -10.916 1.00 27.11 N ATOM 549 CA TYR A 685 5.057 -8.566 -11.008 1.00 31.28 C ATOM 550 C TYR A 685 4.353 -9.264 -9.847 1.00 36.16 C ATOM 551 O TYR A 685 3.403 -10.026 -10.028 1.00 35.22 O ATOM 552 CB TYR A 685 4.534 -9.061 -12.362 1.00 34.91 C ATOM 553 CG TYR A 685 3.245 -8.407 -12.824 1.00 34.27 C ATOM 554 CD1 TYR A 685 2.416 -7.726 -11.940 1.00 32.43 C ATOM 555 CD2 TYR A 685 2.857 -8.482 -14.158 1.00 44.00 C ATOM 556 CE1 TYR A 685 1.230 -7.130 -12.374 1.00 42.15 C ATOM 557 CE2 TYR A 685 1.683 -7.896 -14.600 1.00 43.46 C ATOM 558 CZ TYR A 685 0.874 -7.223 -13.708 1.00 46.07 C ATOM 559 OH TYR A 685 -0.293 -6.641 -14.161 1.00 49.81 O ATOM 560 HH TYR A 685 -0.077 -5.968 -14.854 1.00 0.00 H ATOM 561 H TYR A 685 7.107 -7.892 -10.856 1.00 0.00 H ATOM 562 N ARG A 686 4.832 -8.992 -8.629 1.00 29.75 N ATOM 563 CA ARG A 686 4.215 -9.540 -7.437 1.00 28.88 C ATOM 564 C ARG A 686 3.403 -8.521 -6.649 1.00 32.12 C ATOM 565 O ARG A 686 2.658 -8.920 -5.751 1.00 36.50 O ATOM 566 CB ARG A 686 5.278 -10.183 -6.525 1.00 30.88 C ATOM 567 CG ARG A 686 5.845 -11.488 -7.089 1.00 34.68 C ATOM 568 CD ARG A 686 6.643 -12.289 -6.034 1.00 30.99 C ATOM 569 NE ARG A 686 7.911 -11.670 -5.664 1.00 32.15 N ATOM 570 CZ ARG A 686 9.098 -12.052 -6.131 1.00 31.86 C ATOM 571 NH1 ARG A 686 9.187 -13.045 -7.014 1.00 31.28 N ATOM 572 NH2 ARG A 686 10.199 -11.427 -5.727 1.00 30.00 N ATOM 573 HE ARG A 686 7.886 -10.878 -4.991 1.00 0.00 H ATOM 574 HH12 ARG A 686 10.117 -13.338 -7.375 1.00 0.00 H ATOM 575 HH11 ARG A 686 8.326 -13.527 -7.343 1.00 0.00 H ATOM 576 HH22 ARG A 686 11.128 -11.723 -6.090 1.00 0.00 H ATOM 577 HH21 ARG A 686 10.132 -10.642 -5.048 1.00 0.00 H ATOM 578 H ARG A 686 5.664 -8.375 -8.535 1.00 0.00 H ATOM 579 N TYR A 687 3.511 -7.231 -6.962 1.00 29.34 N ATOM 580 CA TYR A 687 2.611 -6.220 -6.406 1.00 26.05 C ATOM 581 C TYR A 687 1.444 -6.081 -7.370 1.00 30.12 C ATOM 582 O TYR A 687 1.610 -5.569 -8.481 1.00 36.04 O ATOM 583 CB TYR A 687 3.316 -4.875 -6.230 1.00 30.03 C ATOM 584 CG TYR A 687 4.382 -4.893 -5.172 1.00 30.13 C ATOM 585 CD1 TYR A 687 4.117 -5.388 -3.906 1.00 27.56 C ATOM 586 CD2 TYR A 687 5.675 -4.440 -5.453 1.00 29.88 C ATOM 587 CE1 TYR A 687 5.109 -5.423 -2.928 1.00 33.30 C ATOM 588 CE2 TYR A 687 6.660 -4.466 -4.484 1.00 29.61 C ATOM 589 CZ TYR A 687 6.375 -4.957 -3.230 1.00 27.70 C ATOM 590 OH TYR A 687 7.367 -4.996 -2.266 1.00 26.56 O ATOM 591 HH TYR A 687 6.997 -5.374 -1.429 1.00 0.00 H ATOM 592 H TYR A 687 4.258 -6.933 -7.622 1.00 0.00 H ATOM 593 N LEU A 688 0.276 -6.552 -6.952 1.00 32.42 N ATOM 594 CA LEU A 688 -0.911 -6.521 -7.792 1.00 38.74 C ATOM 595 C LEU A 688 -1.821 -5.343 -7.483 1.00 33.92 C ATOM 596 O LEU A 688 -2.714 -5.038 -8.285 1.00 36.41 O ATOM 597 CB LEU A 688 -1.693 -7.831 -7.633 1.00 43.61 C ATOM 598 CG LEU A 688 -0.936 -9.102 -8.033 1.00 49.52 C ATOM 599 CD1 LEU A 688 -1.875 -10.300 -8.078 1.00 53.18 C ATOM 600 CD2 LEU A 688 -0.228 -8.914 -9.369 1.00 48.17 C ATOM 601 H LEU A 688 0.207 -6.955 -5.996 1.00 0.00 H ATOM 602 N ASN A 689 -1.623 -4.683 -6.348 1.00 27.08 N ATOM 603 CA ASN A 689 -2.431 -3.538 -5.972 1.00 29.86 C ATOM 604 C ASN A 689 -1.551 -2.576 -5.195 1.00 27.92 C ATOM 605 O ASN A 689 -0.477 -2.948 -4.705 1.00 28.49 O ATOM 606 CB ASN A 689 -3.652 -3.954 -5.150 1.00 38.28 C ATOM 607 CG ASN A 689 -3.301 -4.936 -4.060 1.00 44.71 C ATOM 608 OD1 ASN A 689 -2.640 -4.584 -3.080 1.00 44.12 O ATOM 609 ND2 ASN A 689 -3.734 -6.183 -4.225 1.00 46.71 N ATOM 610 HD22 ASN A 689 -4.289 -6.434 -5.068 1.00 0.00 H ATOM 611 HD21 ASN A 689 -3.518 -6.907 -3.511 1.00 0.00 H ATOM 612 H ASN A 689 -0.865 -4.997 -5.709 1.00 0.00 H ATOM 613 N PHE A 690 -2.012 -1.331 -5.090 1.00 25.14 N ATOM 614 CA PHE A 690 -1.189 -0.316 -4.439 1.00 26.75 C ATOM 615 C PHE A 690 -1.021 -0.615 -2.957 1.00 26.81 C ATOM 616 O PHE A 690 0.028 -0.304 -2.378 1.00 25.84 O ATOM 617 CB PHE A 690 -1.802 1.073 -4.629 1.00 26.57 C ATOM 618 CG PHE A 690 -0.861 2.201 -4.312 1.00 25.59 C ATOM 619 CD1 PHE A 690 -0.046 2.737 -5.293 1.00 35.44 C ATOM 620 CD2 PHE A 690 -0.772 2.708 -3.023 1.00 25.09 C ATOM 621 CE1 PHE A 690 0.840 3.767 -4.998 1.00 36.91 C ATOM 622 CE2 PHE A 690 0.104 3.738 -2.724 1.00 28.85 C ATOM 623 CZ PHE A 690 0.913 4.264 -3.710 1.00 30.31 C ATOM 624 H PHE A 690 -2.949 -1.084 -5.468 1.00 0.00 H ATOM 625 N ASP A 691 -2.038 -1.228 -2.343 1.00 23.89 N ATOM 626 CA ASP A 691 -2.011 -1.526 -0.912 1.00 26.19 C ATOM 627 C ASP A 691 -0.847 -2.418 -0.546 1.00 27.30 C ATOM 628 O ASP A 691 -0.218 -2.234 0.508 1.00 29.35 O ATOM 629 CB ASP A 691 -3.296 -2.237 -0.507 1.00 34.68 C ATOM 630 CG ASP A 691 -4.426 -1.303 -0.308 1.00 42.25 C ATOM 631 OD1 ASP A 691 -4.187 -0.078 -0.315 1.00 47.84 O ATOM 632 OD2 ASP A 691 -5.551 -1.803 -0.127 1.00 45.97 O ATOM 633 H ASP A 691 -2.873 -1.501 -2.900 1.00 0.00 H ATOM 634 N ASP A 692 -0.599 -3.441 -1.363 1.00 27.41 N ATOM 635 CA ASP A 692 0.461 -4.387 -1.044 1.00 27.74 C ATOM 636 C ASP A 692 1.824 -3.720 -1.143 1.00 22.69 C ATOM 637 O ASP A 692 2.728 -4.037 -0.372 1.00 25.19 O ATOM 638 CB ASP A 692 0.381 -5.598 -1.972 1.00 29.26 C ATOM 639 CG ASP A 692 -0.845 -6.458 -1.704 1.00 43.75 C ATOM 640 OD1 ASP A 692 -1.433 -6.341 -0.609 1.00 41.57 O ATOM 641 OD2 ASP A 692 -1.217 -7.249 -2.596 1.00 45.76 O ATOM 642 H ASP A 692 -1.162 -3.564 -2.228 1.00 0.00 H ATOM 643 N PHE A 693 1.988 -2.819 -2.117 1.00 23.24 N ATOM 644 CA PHE A 693 3.227 -2.056 -2.263 1.00 21.92 C ATOM 645 C PHE A 693 3.442 -1.137 -1.061 1.00 25.28 C ATOM 646 O PHE A 693 4.527 -1.105 -0.463 1.00 24.32 O ATOM 647 CB PHE A 693 3.145 -1.280 -3.586 1.00 23.93 C ATOM 648 CG PHE A 693 4.266 -0.311 -3.836 1.00 22.84 C ATOM 649 CD1 PHE A 693 4.198 0.991 -3.360 1.00 27.93 C ATOM 650 CD2 PHE A 693 5.350 -0.682 -4.618 1.00 25.29 C ATOM 651 CE1 PHE A 693 5.212 1.897 -3.632 1.00 30.51 C ATOM 652 CE2 PHE A 693 6.370 0.221 -4.898 1.00 26.43 C ATOM 653 CZ PHE A 693 6.301 1.508 -4.409 1.00 28.00 C ATOM 654 H PHE A 693 1.212 -2.656 -2.790 1.00 0.00 H ATOM 655 N GLU A 694 2.414 -0.383 -0.685 1.00 23.21 N ATOM 656 CA GLU A 694 2.553 0.525 0.443 1.00 23.52 C ATOM 657 C GLU A 694 2.792 -0.241 1.739 1.00 24.23 C ATOM 658 O GLU A 694 3.513 0.242 2.623 1.00 26.95 O ATOM 659 CB GLU A 694 1.316 1.423 0.547 1.00 24.29 C ATOM 660 CG GLU A 694 1.313 2.316 1.772 1.00 31.42 C ATOM 661 CD GLU A 694 0.180 3.334 1.784 1.00 46.91 C ATOM 662 OE1 GLU A 694 -0.424 3.592 0.722 1.00 40.81 O ATOM 663 OE2 GLU A 694 -0.092 3.888 2.866 1.00 48.45 O ATOM 664 H GLU A 694 1.511 -0.442 -1.197 1.00 0.00 H ATOM 665 N GLU A 695 2.241 -1.455 1.855 1.00 22.01 N ATOM 666 CA GLU A 695 2.460 -2.232 3.076 1.00 26.62 C ATOM 667 C GLU A 695 3.934 -2.587 3.245 1.00 25.53 C ATOM 668 O GLU A 695 4.455 -2.598 4.370 1.00 26.58 O ATOM 669 CB GLU A 695 1.604 -3.497 3.064 1.00 32.09 C ATOM 670 CG GLU A 695 1.833 -4.438 4.236 1.00 39.59 C ATOM 671 CD GLU A 695 0.619 -5.317 4.522 1.00 52.37 C ATOM 672 OE1 GLU A 695 0.420 -5.698 5.694 1.00 55.71 O ATOM 673 OE2 GLU A 695 -0.141 -5.615 3.579 1.00 49.60 O ATOM 674 H GLU A 695 1.662 -1.843 1.084 1.00 0.00 H ATOM 675 N ASP A 696 4.626 -2.878 2.142 1.00 26.05 N ATOM 676 CA ASP A 696 6.044 -3.208 2.258 1.00 24.97 C ATOM 677 C ASP A 696 6.872 -1.967 2.558 1.00 25.44 C ATOM 678 O ASP A 696 7.863 -2.048 3.292 1.00 27.85 O ATOM 679 CB ASP A 696 6.543 -3.903 0.988 1.00 27.62 C ATOM 680 CG ASP A 696 6.320 -5.405 1.026 1.00 30.91 C ATOM 681 OD1 ASP A 696 5.891 -5.914 2.086 1.00 33.17 O ATOM 682 OD2 ASP A 696 6.557 -6.074 -0.002 1.00 31.68 O ATOM 683 H ASP A 696 4.162 -2.870 1.211 1.00 0.00 H ATOM 684 N PHE A 697 6.503 -0.810 1.992 1.00 23.59 N ATOM 685 CA PHE A 697 7.187 0.418 2.383 1.00 24.24 C ATOM 686 C PHE A 697 7.020 0.674 3.875 1.00 23.65 C ATOM 687 O PHE A 697 7.985 1.007 4.570 1.00 24.18 O ATOM 688 CB PHE A 697 6.685 1.627 1.600 1.00 23.32 C ATOM 689 CG PHE A 697 7.174 2.940 2.161 1.00 26.19 C ATOM 690 CD1 PHE A 697 8.485 3.355 1.935 1.00 26.44 C ATOM 691 CD2 PHE A 697 6.348 3.736 2.944 1.00 28.98 C ATOM 692 CE1 PHE A 697 8.946 4.552 2.452 1.00 27.60 C ATOM 693 CE2 PHE A 697 6.807 4.933 3.473 1.00 29.92 C ATOM 694 CZ PHE A 697 8.109 5.343 3.225 1.00 25.90 C ATOM 695 H PHE A 697 5.741 -0.788 1.285 1.00 0.00 H ATOM 696 N ASN A 698 5.791 0.526 4.387 1.00 23.26 N ATOM 697 CA ASN A 698 5.563 0.751 5.808 1.00 23.68 C ATOM 698 C ASN A 698 6.388 -0.200 6.672 1.00 23.45 C ATOM 699 O ASN A 698 6.768 0.161 7.792 1.00 26.49 O ATOM 700 CB ASN A 698 4.062 0.623 6.121 1.00 23.37 C ATOM 701 CG ASN A 698 3.244 1.784 5.550 1.00 29.68 C ATOM 702 OD1 ASN A 698 3.790 2.848 5.249 1.00 34.36 O ATOM 703 ND2 ASN A 698 1.917 1.594 5.438 1.00 27.32 N ATOM 704 HD22 ASN A 698 1.498 0.680 5.703 1.00 0.00 H ATOM 705 HD21 ASN A 698 1.310 2.361 5.086 1.00 0.00 H ATOM 706 H ASN A 698 5.000 0.251 3.770 1.00 0.00 H ATOM 707 N LEU A 699 6.679 -1.413 6.180 1.00 23.28 N ATOM 708 CA LEU A 699 7.557 -2.321 6.925 1.00 28.10 C ATOM 709 C LEU A 699 8.978 -1.786 7.018 1.00 27.66 C ATOM 710 O LEU A 699 9.644 -1.977 8.040 1.00 26.86 O ATOM 711 CB LEU A 699 7.604 -3.709 6.288 1.00 26.65 C ATOM 712 CG LEU A 699 6.427 -4.638 6.537 1.00 35.17 C ATOM 713 CD1 LEU A 699 6.554 -5.847 5.640 1.00 38.18 C ATOM 714 CD2 LEU A 699 6.407 -5.050 8.012 1.00 39.53 C ATOM 715 H LEU A 699 6.281 -1.711 5.267 1.00 0.00 H ATOM 716 N ILE A 700 9.490 -1.169 5.952 1.00 25.47 N ATOM 717 CA ILE A 700 10.840 -0.601 6.049 1.00 24.29 C ATOM 718 C ILE A 700 10.909 0.331 7.252 1.00 24.12 C ATOM 719 O ILE A 700 11.832 0.262 8.077 1.00 29.67 O ATOM 720 CB ILE A 700 11.213 0.132 4.748 1.00 27.44 C ATOM 721 CG1 ILE A 700 11.239 -0.842 3.571 1.00 24.91 C ATOM 722 CG2 ILE A 700 12.566 0.853 4.889 1.00 28.74 C ATOM 723 CD1 ILE A 700 11.565 -0.164 2.229 1.00 22.82 C ATOM 724 H ILE A 700 8.944 -1.092 5.070 1.00 0.00 H ATOM 725 N VAL A 701 9.913 1.206 7.369 1.00 23.07 N ATOM 726 CA VAL A 701 9.871 2.185 8.449 1.00 24.70 C ATOM 727 C VAL A 701 9.636 1.497 9.786 1.00 25.97 C ATOM 728 O VAL A 701 10.391 1.707 10.748 1.00 25.35 O ATOM 729 CB VAL A 701 8.786 3.239 8.162 1.00 29.13 C ATOM 730 CG1 VAL A 701 8.553 4.144 9.389 1.00 23.46 C ATOM 731 CG2 VAL A 701 9.149 4.053 6.949 1.00 29.91 C ATOM 732 H VAL A 701 9.143 1.191 6.670 1.00 0.00 H ATOM 733 N SER A 702 8.575 0.679 9.880 1.00 26.02 N ATOM 734 CA SER A 702 8.196 0.147 11.190 1.00 27.55 C ATOM 735 C SER A 702 9.245 -0.832 11.725 1.00 28.74 C ATOM 736 O SER A 702 9.503 -0.867 12.941 1.00 27.09 O ATOM 737 CB SER A 702 6.803 -0.497 11.124 1.00 31.30 C ATOM 738 OG SER A 702 6.757 -1.657 10.310 1.00 32.32 O ATOM 739 HG SER A 702 5.837 -2.022 10.309 1.00 0.00 H ATOM 740 H SER A 702 8.029 0.426 9.032 1.00 0.00 H ATOM 741 N ASN A 703 9.884 -1.616 10.841 1.00 26.33 N ATOM 742 CA ASN A 703 10.970 -2.489 11.295 1.00 28.44 C ATOM 743 C ASN A 703 12.092 -1.670 11.908 1.00 25.74 C ATOM 744 O ASN A 703 12.666 -2.053 12.935 1.00 33.13 O ATOM 745 CB ASN A 703 11.539 -3.316 10.144 1.00 30.87 C ATOM 746 CG ASN A 703 10.633 -4.429 9.710 1.00 31.18 C ATOM 747 OD1 ASN A 703 9.654 -4.748 10.375 1.00 27.94 O ATOM 748 ND2 ASN A 703 10.958 -5.034 8.573 1.00 28.78 N ATOM 749 HD22 ASN A 703 11.799 -4.728 8.043 1.00 0.00 H ATOM 750 HD21 ASN A 703 10.372 -5.814 8.213 1.00 0.00 H ATOM 751 H ASN A 703 9.609 -1.603 9.838 1.00 0.00 H ATOM 752 N CYS A 704 12.418 -0.544 11.279 1.00 25.22 N ATOM 753 CA CYS A 704 13.504 0.308 11.755 1.00 26.57 C ATOM 754 C CYS A 704 13.172 0.926 13.109 1.00 26.54 C ATOM 755 O CYS A 704 14.000 0.918 14.032 1.00 26.34 O ATOM 756 CB CYS A 704 13.780 1.399 10.727 1.00 25.17 C ATOM 757 SG CYS A 704 15.252 2.378 11.138 1.00 27.49 S ATOM 758 H CYS A 704 11.887 -0.264 10.429 1.00 0.00 H ATOM 759 N LEU A 705 11.974 1.496 13.239 1.00 26.86 N ATOM 760 CA LEU A 705 11.580 2.055 14.531 1.00 25.31 C ATOM 761 C LEU A 705 11.558 0.992 15.620 1.00 31.61 C ATOM 762 O LEU A 705 11.878 1.284 16.782 1.00 31.14 O ATOM 763 CB LEU A 705 10.204 2.723 14.419 1.00 25.11 C ATOM 764 CG LEU A 705 10.002 3.833 13.384 1.00 28.31 C ATOM 765 CD1 LEU A 705 8.511 4.201 13.329 1.00 26.35 C ATOM 766 CD2 LEU A 705 10.847 5.066 13.720 1.00 27.23 C ATOM 767 H LEU A 705 11.325 1.543 12.428 1.00 0.00 H ATOM 768 N LYS A 706 11.186 -0.244 15.275 1.00 26.29 N ATOM 769 CA LYS A 706 11.089 -1.285 16.294 1.00 33.71 C ATOM 770 C LYS A 706 12.465 -1.716 16.782 1.00 35.75 C ATOM 771 O LYS A 706 12.701 -1.825 17.993 1.00 31.64 O ATOM 772 CB LYS A 706 10.307 -2.481 15.749 1.00 36.38 C ATOM 773 CG LYS A 706 10.217 -3.664 16.707 1.00 34.16 C ATOM 774 CD LYS A 706 9.309 -4.750 16.141 1.00 44.77 C ATOM 775 CE LYS A 706 9.319 -5.991 17.014 1.00 55.90 C ATOM 776 NZ LYS A 706 8.490 -7.075 16.421 1.00 60.58 N ATOM 777 HZ1 LYS A 706 7.508 -6.745 16.324 1.00 0.00 H ATOM 778 HZ2 LYS A 706 8.867 -7.325 15.485 1.00 0.00 H ATOM 779 HZ3 LYS A 706 8.517 -7.909 17.041 1.00 0.00 H ATOM 780 H LYS A 706 10.966 -0.464 14.283 1.00 0.00 H ATOM 781 N TYR A 707 13.392 -1.952 15.856 1.00 30.90 N ATOM 782 CA TYR A 707 14.683 -2.517 16.237 1.00 33.66 C ATOM 783 C TYR A 707 15.596 -1.506 16.917 1.00 35.33 C ATOM 784 O TYR A 707 16.376 -1.882 17.808 1.00 32.68 O ATOM 785 CB TYR A 707 15.399 -3.088 15.009 1.00 31.52 C ATOM 786 CG TYR A 707 16.695 -3.766 15.381 1.00 34.03 C ATOM 787 CD1 TYR A 707 16.690 -5.019 15.978 1.00 35.86 C ATOM 788 CD2 TYR A 707 17.918 -3.142 15.174 1.00 33.96 C ATOM 789 CE1 TYR A 707 17.861 -5.640 16.344 1.00 32.30 C ATOM 790 CE2 TYR A 707 19.105 -3.764 15.540 1.00 36.88 C ATOM 791 CZ TYR A 707 19.064 -5.012 16.125 1.00 37.75 C ATOM 792 OH TYR A 707 20.227 -5.645 16.508 1.00 38.98 O ATOM 793 HH TYR A 707 20.007 -6.524 16.906 1.00 0.00 H ATOM 794 H TYR A 707 13.196 -1.733 14.858 1.00 0.00 H ATOM 795 N ASN A 708 15.538 -0.242 16.512 1.00 28.64 N ATOM 796 CA ASN A 708 16.549 0.733 16.901 1.00 28.60 C ATOM 797 C ASN A 708 16.071 1.623 18.045 1.00 29.93 C ATOM 798 O ASN A 708 14.881 1.910 18.180 1.00 30.26 O ATOM 799 CB ASN A 708 16.938 1.584 15.691 1.00 28.74 C ATOM 800 CG ASN A 708 17.664 0.775 14.633 1.00 29.80 C ATOM 801 OD1 ASN A 708 18.882 0.541 14.736 1.00 30.74 O ATOM 802 ND2 ASN A 708 16.937 0.342 13.613 1.00 31.58 N ATOM 803 HD22 ASN A 708 15.921 0.562 13.568 1.00 0.00 H ATOM 804 HD21 ASN A 708 17.382 -0.217 12.858 1.00 0.00 H ATOM 805 H ASN A 708 14.751 0.059 15.902 1.00 0.00 H ATOM 806 N ALA A 709 17.012 2.039 18.899 1.00 30.13 N ATOM 807 CA ALA A 709 16.649 2.982 19.944 1.00 31.21 C ATOM 808 C ALA A 709 16.316 4.345 19.335 1.00 33.61 C ATOM 809 O ALA A 709 16.729 4.678 18.220 1.00 30.82 O ATOM 810 CB ALA A 709 17.773 3.106 20.981 1.00 31.90 C ATOM 811 H ALA A 709 17.989 1.693 18.817 1.00 0.00 H ATOM 812 N LYS A 710 15.530 5.131 20.079 1.00 30.00 N ATOM 813 CA LYS A 710 15.066 6.415 19.561 1.00 29.20 C ATOM 814 C LYS A 710 16.227 7.351 19.243 1.00 33.77 C ATOM 815 O LYS A 710 16.188 8.076 18.241 1.00 38.56 O ATOM 816 CB LYS A 710 14.103 7.083 20.549 1.00 31.40 C ATOM 817 CG LYS A 710 12.760 6.380 20.709 1.00 27.64 C ATOM 818 CD LYS A 710 11.771 7.191 21.563 1.00 29.13 C ATOM 819 CE LYS A 710 10.900 8.114 20.715 1.00 33.64 C ATOM 820 NZ LYS A 710 10.166 9.111 21.541 1.00 31.12 N ATOM 821 HZ1 LYS A 710 9.550 8.614 22.215 1.00 0.00 H ATOM 822 HZ2 LYS A 710 10.849 9.698 22.061 1.00 0.00 H ATOM 823 HZ3 LYS A 710 9.589 9.715 20.922 1.00 0.00 H ATOM 824 H LYS A 710 15.248 4.826 21.032 1.00 0.00 H ATOM 825 N ASP A 711 17.266 7.360 20.080 1.00 32.47 N ATOM 826 CA ASP A 711 18.397 8.264 19.879 1.00 35.36 C ATOM 827 C ASP A 711 19.459 7.597 19.003 1.00 41.28 C ATOM 828 O ASP A 711 20.594 7.356 19.417 1.00 44.54 O ATOM 829 CB ASP A 711 18.981 8.686 21.227 1.00 41.63 C ATOM 830 CG ASP A 711 20.023 9.783 21.099 1.00 50.94 C ATOM 831 OD1 ASP A 711 20.104 10.401 20.018 1.00 52.13 O ATOM 832 OD2 ASP A 711 20.763 10.031 22.081 1.00 51.40 O ATOM 833 H ASP A 711 17.271 6.710 20.892 1.00 0.00 H ATOM 834 N THR A 712 19.061 7.270 17.778 1.00 36.06 N ATOM 835 CA THR A 712 19.968 6.675 16.812 1.00 34.02 C ATOM 836 C THR A 712 19.751 7.326 15.453 1.00 33.90 C ATOM 837 O THR A 712 18.660 7.807 15.133 1.00 32.12 O ATOM 838 CB THR A 712 19.778 5.155 16.672 1.00 38.61 C ATOM 839 OG1 THR A 712 18.447 4.876 16.208 1.00 30.51 O ATOM 840 CG2 THR A 712 20.016 4.448 18.005 1.00 43.41 C ATOM 841 HG1 THR A 712 17.791 5.231 16.858 1.00 0.00 H ATOM 842 H THR A 712 18.073 7.445 17.503 1.00 0.00 H ATOM 843 N ILE A 713 20.815 7.346 14.657 1.00 30.80 N ATOM 844 CA ILE A 713 20.685 7.844 13.291 1.00 30.29 C ATOM 845 C ILE A 713 19.602 7.077 12.537 1.00 32.73 C ATOM 846 O ILE A 713 18.802 7.670 11.804 1.00 31.97 O ATOM 847 CB ILE A 713 22.045 7.783 12.578 1.00 33.05 C ATOM 848 CG1 ILE A 713 22.974 8.837 13.183 1.00 44.52 C ATOM 849 CG2 ILE A 713 21.886 8.006 11.099 1.00 35.76 C ATOM 850 CD1 ILE A 713 24.407 8.424 13.244 1.00 51.61 C ATOM 851 H ILE A 713 21.735 7.009 15.005 1.00 0.00 H ATOM 852 N PHE A 714 19.539 5.755 12.720 1.00 28.65 N ATOM 853 CA PHE A 714 18.564 4.969 11.958 1.00 24.05 C ATOM 854 C PHE A 714 17.130 5.330 12.341 1.00 25.76 C ATOM 855 O PHE A 714 16.267 5.490 11.465 1.00 25.73 O ATOM 856 CB PHE A 714 18.806 3.470 12.164 1.00 27.44 C ATOM 857 CG PHE A 714 20.139 2.980 11.658 1.00 29.21 C ATOM 858 CD1 PHE A 714 20.740 3.557 10.549 1.00 32.25 C ATOM 859 CD2 PHE A 714 20.785 1.936 12.295 1.00 34.60 C ATOM 860 CE1 PHE A 714 21.973 3.092 10.092 1.00 31.69 C ATOM 861 CE2 PHE A 714 22.013 1.473 11.850 1.00 36.20 C ATOM 862 CZ PHE A 714 22.602 2.049 10.740 1.00 32.65 C ATOM 863 H PHE A 714 20.176 5.288 13.397 1.00 0.00 H ATOM 864 N TYR A 715 16.847 5.462 13.640 1.00 27.30 N ATOM 865 CA TYR A 715 15.483 5.780 14.060 1.00 24.57 C ATOM 866 C TYR A 715 15.064 7.152 13.552 1.00 25.67 C ATOM 867 O TYR A 715 13.959 7.316 13.026 1.00 24.77 O ATOM 868 CB TYR A 715 15.383 5.709 15.593 1.00 26.76 C ATOM 869 CG TYR A 715 13.965 5.793 16.151 1.00 27.67 C ATOM 870 CD1 TYR A 715 13.310 7.014 16.260 1.00 26.56 C ATOM 871 CD2 TYR A 715 13.320 4.663 16.627 1.00 29.65 C ATOM 872 CE1 TYR A 715 12.031 7.105 16.782 1.00 26.54 C ATOM 873 CE2 TYR A 715 12.029 4.739 17.162 1.00 26.52 C ATOM 874 CZ TYR A 715 11.396 5.968 17.234 1.00 28.71 C ATOM 875 OH TYR A 715 10.121 6.081 17.754 1.00 29.45 O ATOM 876 HH TYR A 715 9.836 7.029 17.724 1.00 0.00 H ATOM 877 H TYR A 715 17.596 5.339 14.351 1.00 0.00 H ATOM 878 N ARG A 716 15.947 8.151 13.666 1.00 26.54 N ATOM 879 CA ARG A 716 15.600 9.472 13.155 1.00 28.30 C ATOM 880 C ARG A 716 15.379 9.427 11.648 1.00 26.69 C ATOM 881 O ARG A 716 14.471 10.087 11.123 1.00 27.23 O ATOM 882 CB ARG A 716 16.681 10.489 13.515 1.00 33.04 C ATOM 883 CG ARG A 716 16.624 10.921 14.981 1.00 38.44 C ATOM 884 CD ARG A 716 17.627 12.027 15.284 1.00 40.33 C ATOM 885 NE ARG A 716 19.004 11.553 15.230 1.00 47.62 N ATOM 886 CZ ARG A 716 19.693 11.119 16.283 1.00 50.33 C ATOM 887 NH1 ARG A 716 19.137 11.092 17.488 1.00 49.91 N ATOM 888 NH2 ARG A 716 20.943 10.705 16.129 1.00 49.71 N ATOM 889 HE ARG A 716 19.481 11.554 14.306 1.00 0.00 H ATOM 890 HH12 ARG A 716 19.683 10.751 18.305 1.00 0.00 H ATOM 891 HH11 ARG A 716 18.155 11.412 17.615 1.00 0.00 H ATOM 892 HH22 ARG A 716 21.483 10.365 16.950 1.00 0.00 H ATOM 893 HH21 ARG A 716 21.383 10.720 15.187 1.00 0.00 H ATOM 894 H ARG A 716 16.871 7.987 14.114 1.00 0.00 H ATOM 895 N ALA A 717 16.155 8.601 10.951 1.00 26.47 N ATOM 896 CA ALA A 717 16.004 8.493 9.501 1.00 26.70 C ATOM 897 C ALA A 717 14.672 7.844 9.135 1.00 25.35 C ATOM 898 O ALA A 717 14.020 8.251 8.161 1.00 26.10 O ATOM 899 CB ALA A 717 17.174 7.703 8.919 1.00 29.41 C ATOM 900 H ALA A 717 16.873 8.029 11.440 1.00 0.00 H ATOM 901 N ALA A 718 14.251 6.830 9.900 1.00 26.98 N ATOM 902 CA ALA A 718 12.957 6.199 9.630 1.00 24.78 C ATOM 903 C ALA A 718 11.809 7.171 9.854 1.00 26.31 C ATOM 904 O ALA A 718 10.820 7.158 9.109 1.00 26.01 O ATOM 905 CB ALA A 718 12.781 4.959 10.505 1.00 25.55 C ATOM 906 H ALA A 718 14.842 6.490 10.685 1.00 0.00 H ATOM 907 N VAL A 719 11.896 7.993 10.907 1.00 25.56 N ATOM 908 CA VAL A 719 10.862 8.995 11.152 1.00 25.31 C ATOM 909 C VAL A 719 10.783 9.960 9.980 1.00 29.07 C ATOM 910 O VAL A 719 9.697 10.302 9.505 1.00 29.56 O ATOM 911 CB VAL A 719 11.145 9.741 12.470 1.00 28.31 C ATOM 912 CG1 VAL A 719 10.297 11.000 12.534 1.00 33.49 C ATOM 913 CG2 VAL A 719 10.858 8.843 13.665 1.00 27.03 C ATOM 914 H VAL A 719 12.706 7.918 11.555 1.00 0.00 H ATOM 915 N ARG A 720 11.939 10.413 9.500 1.00 29.26 N ATOM 916 CA ARG A 720 11.974 11.321 8.360 1.00 25.08 C ATOM 917 C ARG A 720 11.427 10.644 7.112 1.00 26.65 C ATOM 918 O ARG A 720 10.671 11.256 6.350 1.00 27.98 O ATOM 919 CB ARG A 720 13.413 11.787 8.140 1.00 28.49 C ATOM 920 CG ARG A 720 13.612 13.192 7.600 1.00 43.73 C ATOM 921 CD ARG A 720 14.954 13.710 8.136 1.00 54.86 C ATOM 922 NE ARG A 720 15.964 12.652 8.075 1.00 54.83 N ATOM 923 CZ ARG A 720 16.946 12.472 8.956 1.00 51.88 C ATOM 924 NH1 ARG A 720 17.076 13.278 10.004 1.00 56.50 N ATOM 925 NH2 ARG A 720 17.793 11.466 8.791 1.00 38.43 N ATOM 926 HE ARG A 720 15.910 11.986 7.278 1.00 0.00 H ATOM 927 HH12 ARG A 720 17.848 13.126 10.684 1.00 0.00 H ATOM 928 HH11 ARG A 720 16.406 14.061 10.144 1.00 0.00 H ATOM 929 HH22 ARG A 720 18.563 11.317 9.474 1.00 0.00 H ATOM 930 HH21 ARG A 720 17.687 10.825 7.979 1.00 0.00 H ATOM 931 H ARG A 720 12.830 10.115 9.945 1.00 0.00 H ATOM 932 N LEU A 721 11.799 9.380 6.889 1.00 23.22 N ATOM 933 CA LEU A 721 11.281 8.659 5.728 1.00 23.68 C ATOM 934 C LEU A 721 9.774 8.495 5.827 1.00 27.69 C ATOM 935 O LEU A 721 9.054 8.589 4.824 1.00 26.63 O ATOM 936 CB LEU A 721 11.951 7.291 5.608 1.00 24.72 C ATOM 937 CG LEU A 721 11.502 6.440 4.413 1.00 30.78 C ATOM 938 CD1 LEU A 721 11.784 7.173 3.096 1.00 31.84 C ATOM 939 CD2 LEU A 721 12.171 5.063 4.415 1.00 29.35 C ATOM 940 H LEU A 721 12.457 8.909 7.542 1.00 0.00 H ATOM 941 N ARG A 722 9.275 8.255 7.033 1.00 25.74 N ATOM 942 CA ARG A 722 7.836 8.122 7.201 1.00 23.38 C ATOM 943 C ARG A 722 7.123 9.401 6.790 1.00 24.13 C ATOM 944 O ARG A 722 6.101 9.357 6.095 1.00 26.86 O ATOM 945 CB ARG A 722 7.518 7.765 8.652 1.00 20.88 C ATOM 946 CG ARG A 722 6.032 7.478 8.878 1.00 27.63 C ATOM 947 CD ARG A 722 5.809 7.256 10.365 1.00 28.79 C ATOM 948 NE ARG A 722 6.093 8.466 11.125 1.00 27.18 N ATOM 949 CZ ARG A 722 6.400 8.470 12.422 1.00 29.93 C ATOM 950 NH1 ARG A 722 6.487 7.326 13.087 1.00 31.75 N ATOM 951 NH2 ARG A 722 6.647 9.614 13.046 1.00 31.63 N ATOM 952 HE ARG A 722 6.054 9.378 10.627 1.00 0.00 H ATOM 953 HH12 ARG A 722 6.727 7.330 14.099 1.00 0.00 H ATOM 954 HH11 ARG A 722 6.316 6.425 12.597 1.00 0.00 H ATOM 955 HH22 ARG A 722 6.886 9.613 14.058 1.00 0.00 H ATOM 956 HH21 ARG A 722 6.601 10.512 12.523 1.00 0.00 H ATOM 957 H ARG A 722 9.908 8.163 7.853 1.00 0.00 H ATOM 958 N GLU A 723 7.664 10.555 7.191 1.00 26.44 N ATOM 959 CA GLU A 723 7.044 11.838 6.862 1.00 30.17 C ATOM 960 C GLU A 723 7.167 12.149 5.374 1.00 31.44 C ATOM 961 O GLU A 723 6.167 12.429 4.698 1.00 33.48 O ATOM 962 CB GLU A 723 7.693 12.954 7.689 1.00 35.36 C ATOM 963 CG GLU A 723 7.595 12.742 9.192 1.00 46.24 C ATOM 964 CD GLU A 723 8.541 13.624 9.998 1.00 55.26 C ATOM 965 OE1 GLU A 723 9.568 14.085 9.445 1.00 55.72 O ATOM 966 OE2 GLU A 723 8.257 13.850 11.195 1.00 53.76 O ATOM 967 H GLU A 723 8.542 10.541 7.748 1.00 0.00 H ATOM 968 N GLN A 724 8.389 12.115 4.849 1.00 26.38 N ATOM 969 CA GLN A 724 8.587 12.488 3.452 1.00 28.33 C ATOM 970 C GLN A 724 7.985 11.448 2.515 1.00 31.12 C ATOM 971 O GLN A 724 7.421 11.799 1.469 1.00 32.64 O ATOM 972 CB GLN A 724 10.076 12.700 3.191 1.00 31.58 C ATOM 973 CG GLN A 724 10.632 13.812 4.069 1.00 35.58 C ATOM 974 CD GLN A 724 12.140 13.919 4.026 1.00 47.59 C ATOM 975 OE1 GLN A 724 12.805 13.204 3.280 1.00 45.67 O ATOM 976 NE2 GLN A 724 12.688 14.816 4.837 1.00 55.72 N ATOM 977 HE22 GLN A 724 12.084 15.399 5.451 1.00 0.00 H ATOM 978 HE21 GLN A 724 13.721 14.935 4.858 1.00 0.00 H ATOM 979 H GLN A 724 9.200 11.824 5.432 1.00 0.00 H ATOM 980 N GLY A 725 8.074 10.166 2.881 1.00 29.96 N ATOM 981 CA GLY A 725 7.514 9.118 2.042 1.00 39.39 C ATOM 982 C GLY A 725 6.000 9.082 2.055 1.00 39.05 C ATOM 983 O GLY A 725 5.375 8.643 1.078 1.00 29.03 O ATOM 984 H GLY A 725 8.547 9.916 3.773 1.00 0.00 H ATOM 985 N GLY A 726 5.386 9.537 3.151 1.00 32.65 N ATOM 986 CA GLY A 726 3.933 9.609 3.202 1.00 37.02 C ATOM 987 C GLY A 726 3.350 10.545 2.158 1.00 38.35 C ATOM 988 O GLY A 726 2.326 10.243 1.538 1.00 30.50 O ATOM 989 H GLY A 726 5.949 9.841 3.971 1.00 0.00 H ATOM 990 N ALA A 727 3.982 11.701 1.958 1.00 32.30 N ATOM 991 CA ALA A 727 3.492 12.635 0.954 1.00 32.46 C ATOM 992 C ALA A 727 3.650 12.064 -0.454 1.00 30.51 C ATOM 993 O ALA A 727 2.769 12.240 -1.307 1.00 31.88 O ATOM 994 CB ALA A 727 4.222 13.971 1.092 1.00 40.11 C ATOM 995 H ALA A 727 4.825 11.936 2.519 1.00 0.00 H ATOM 996 N VAL A 728 4.760 11.363 -0.706 1.00 28.67 N ATOM 997 CA VAL A 728 4.950 10.676 -1.987 1.00 26.30 C ATOM 998 C VAL A 728 3.829 9.670 -2.220 1.00 25.90 C ATOM 999 O VAL A 728 3.246 9.597 -3.308 1.00 27.89 O ATOM 1000 CB VAL A 728 6.319 9.975 -2.012 1.00 26.79 C ATOM 1001 CG1 VAL A 728 6.413 9.033 -3.215 1.00 26.26 C ATOM 1002 CG2 VAL A 728 7.466 11.001 -1.990 1.00 33.27 C ATOM 1003 H VAL A 728 5.502 11.304 0.020 1.00 0.00 H ATOM 1004 N LEU A 729 3.526 8.861 -1.199 1.00 25.24 N ATOM 1005 CA LEU A 729 2.520 7.814 -1.356 1.00 24.78 C ATOM 1006 C LEU A 729 1.126 8.396 -1.525 1.00 28.76 C ATOM 1007 O LEU A 729 0.311 7.850 -2.280 1.00 30.35 O ATOM 1008 CB LEU A 729 2.554 6.866 -0.156 1.00 26.90 C ATOM 1009 CG LEU A 729 3.754 5.927 -0.047 1.00 32.53 C ATOM 1010 CD1 LEU A 729 3.698 5.174 1.268 1.00 36.41 C ATOM 1011 CD2 LEU A 729 3.834 4.956 -1.233 1.00 33.01 C ATOM 1012 H LEU A 729 4.010 8.978 -0.286 1.00 0.00 H ATOM 1013 N ARG A 730 0.820 9.494 -0.830 1.00 25.08 N ATOM 1014 CA ARG A 730 -0.512 10.087 -0.970 1.00 30.04 C ATOM 1015 C ARG A 730 -0.791 10.469 -2.417 1.00 32.11 C ATOM 1016 O ARG A 730 -1.857 10.154 -2.968 1.00 32.02 O ATOM 1017 CB ARG A 730 -0.648 11.311 -0.065 1.00 38.75 C ATOM 1018 CG ARG A 730 -1.911 12.116 -0.328 1.00 47.79 C ATOM 1019 CD ARG A 730 -2.141 13.177 0.740 1.00 56.35 C ATOM 1020 NE ARG A 730 -3.324 13.984 0.449 1.00 66.50 N ATOM 1021 CZ ARG A 730 -3.886 14.827 1.310 1.00 75.13 C ATOM 1022 NH1 ARG A 730 -3.376 14.975 2.525 1.00 77.29 N ATOM 1023 NH2 ARG A 730 -4.960 15.520 0.959 1.00 80.20 N ATOM 1024 HE ARG A 730 -3.755 13.893 -0.493 1.00 0.00 H ATOM 1025 HH12 ARG A 730 -3.817 15.635 3.197 1.00 0.00 H ATOM 1026 HH11 ARG A 730 -2.535 14.431 2.806 1.00 0.00 H ATOM 1027 HH22 ARG A 730 -5.398 16.179 1.635 1.00 0.00 H ATOM 1028 HH21 ARG A 730 -5.365 15.405 0.008 1.00 0.00 H ATOM 1029 H ARG A 730 1.522 9.925 -0.194 1.00 0.00 H ATOM 1030 N GLN A 731 0.153 11.168 -3.043 1.00 30.14 N ATOM 1031 CA GLN A 731 -0.040 11.588 -4.424 1.00 29.40 C ATOM 1032 C GLN A 731 -0.067 10.390 -5.366 1.00 29.76 C ATOM 1033 O GLN A 731 -0.850 10.361 -6.324 1.00 33.49 O ATOM 1034 CB GLN A 731 1.060 12.575 -4.817 1.00 33.92 C ATOM 1035 CG GLN A 731 0.802 13.298 -6.130 1.00 43.88 C ATOM 1036 H GLN A 731 1.031 11.415 -2.544 1.00 0.00 H ATOM 1037 N ALA A 732 0.789 9.390 -5.116 1.00 26.47 N ATOM 1038 CA ALA A 732 0.806 8.216 -5.984 1.00 25.35 C ATOM 1039 C ALA A 732 -0.468 7.401 -5.832 1.00 28.08 C ATOM 1040 O ALA A 732 -1.018 6.905 -6.822 1.00 29.32 O ATOM 1041 CB ALA A 732 2.039 7.356 -5.687 1.00 24.80 C ATOM 1042 H ALA A 732 1.439 9.450 -4.306 1.00 0.00 H ATOM 1043 N ARG A 733 -0.970 7.260 -4.600 1.00 23.87 N ATOM 1044 CA ARG A 733 -2.192 6.486 -4.423 1.00 26.22 C ATOM 1045 C ARG A 733 -3.351 7.138 -5.155 1.00 30.89 C ATOM 1046 O ARG A 733 -4.177 6.449 -5.765 1.00 34.25 O ATOM 1047 CB ARG A 733 -2.533 6.324 -2.939 1.00 32.49 C ATOM 1048 CG ARG A 733 -3.891 5.667 -2.749 1.00 40.18 C ATOM 1049 CD ARG A 733 -4.301 5.514 -1.311 1.00 50.05 C ATOM 1050 NE ARG A 733 -3.592 4.439 -0.621 1.00 53.30 N ATOM 1051 CZ ARG A 733 -3.730 3.139 -0.885 1.00 46.83 C ATOM 1052 NH1 ARG A 733 -4.535 2.715 -1.864 1.00 34.40 N ATOM 1053 NH2 ARG A 733 -3.037 2.256 -0.175 1.00 32.97 N ATOM 1054 HE ARG A 733 -2.929 4.708 0.134 1.00 0.00 H ATOM 1055 HH12 ARG A 733 -4.630 1.697 -2.055 1.00 0.00 H ATOM 1056 HH11 ARG A 733 -5.067 3.403 -2.435 1.00 0.00 H ATOM 1057 HH22 ARG A 733 -3.135 1.239 -0.371 1.00 0.00 H ATOM 1058 HH21 ARG A 733 -2.396 2.581 0.577 1.00 0.00 H ATOM 1059 H ARG A 733 -0.496 7.695 -3.783 1.00 0.00 H ATOM 1060 N ARG A 734 -3.421 8.468 -5.122 1.00 28.07 N ATOM 1061 CA ARG A 734 -4.498 9.144 -5.850 1.00 33.55 C ATOM 1062 C ARG A 734 -4.426 8.841 -7.342 1.00 38.16 C ATOM 1063 O ARG A 734 -5.459 8.679 -8.004 1.00 37.15 O ATOM 1064 CB ARG A 734 -4.448 10.651 -5.591 1.00 36.80 C ATOM 1065 CG ARG A 734 -4.791 11.017 -4.152 1.00 51.09 C ATOM 1066 CD ARG A 734 -5.058 12.504 -3.957 1.00 62.97 C ATOM 1067 NE ARG A 734 -5.632 12.764 -2.637 1.00 70.80 N ATOM 1068 CZ ARG A 734 -6.096 13.943 -2.233 1.00 73.31 C ATOM 1069 NH1 ARG A 734 -6.603 14.075 -1.015 1.00 71.13 N ATOM 1070 NH2 ARG A 734 -6.058 14.989 -3.046 1.00 74.48 N ATOM 1071 HE ARG A 734 -5.681 11.970 -1.967 1.00 0.00 H ATOM 1072 HH12 ARG A 734 -6.966 14.997 -0.700 1.00 0.00 H ATOM 1073 HH11 ARG A 734 -6.638 13.256 -0.375 1.00 0.00 H ATOM 1074 HH22 ARG A 734 -6.422 15.909 -2.727 1.00 0.00 H ATOM 1075 HH21 ARG A 734 -5.664 14.889 -4.003 1.00 0.00 H ATOM 1076 H ARG A 734 -2.720 9.019 -4.586 1.00 0.00 H ATOM 1077 N GLN A 735 -3.216 8.731 -7.889 1.00 37.78 N ATOM 1078 CA GLN A 735 -3.091 8.407 -9.303 1.00 29.45 C ATOM 1079 C GLN A 735 -3.432 6.950 -9.586 1.00 34.96 C ATOM 1080 O GLN A 735 -3.961 6.635 -10.662 1.00 36.13 O ATOM 1081 CB GLN A 735 -1.684 8.738 -9.796 1.00 34.16 C ATOM 1082 CG GLN A 735 -1.272 10.155 -9.474 1.00 45.40 C ATOM 1083 CD GLN A 735 -0.396 10.755 -10.536 1.00 63.54 C ATOM 1084 OE1 GLN A 735 0.789 10.438 -10.629 1.00 71.52 O ATOM 1085 NE2 GLN A 735 -0.975 11.625 -11.358 1.00 67.58 N ATOM 1086 HE22 GLN A 735 -1.981 11.862 -11.240 1.00 0.00 H ATOM 1087 HE21 GLN A 735 -0.422 12.069 -12.119 1.00 0.00 H ATOM 1088 H GLN A 735 -2.365 8.876 -7.309 1.00 0.00 H ATOM 1089 N ALA A 736 -3.157 6.058 -8.637 1.00 32.91 N ATOM 1090 CA ALA A 736 -3.497 4.650 -8.800 1.00 27.24 C ATOM 1091 C ALA A 736 -5.002 4.427 -8.748 1.00 36.55 C ATOM 1092 O ALA A 736 -5.519 3.536 -9.432 1.00 42.28 O ATOM 1093 CB ALA A 736 -2.811 3.815 -7.716 1.00 36.81 C ATOM 1094 H ALA A 736 -2.690 6.372 -7.762 1.00 0.00 H ATOM 1095 N GLU A 737 -5.712 5.213 -7.935 1.00 31.15 N ATOM 1096 CA GLU A 737 -7.154 5.017 -7.802 1.00 38.72 C ATOM 1097 C GLU A 737 -7.874 5.333 -9.103 1.00 50.47 C ATOM 1098 O GLU A 737 -8.951 4.785 -9.369 1.00 56.39 O ATOM 1099 CB GLU A 737 -7.697 5.875 -6.657 1.00 45.80 C ATOM 1100 H GLU A 737 -5.238 5.966 -7.396 1.00 0.00 H ATOM 1101 N LYS A 738 -7.288 6.199 -9.927 1.00 45.51 N ATOM 1102 CA LYS A 738 -7.812 6.545 -11.240 1.00 50.04 C ATOM 1103 C LYS A 738 -7.396 5.561 -12.330 1.00 57.81 C ATOM 1104 O LYS A 738 -7.467 5.907 -13.516 1.00 62.81 O ATOM 1105 CB LYS A 738 -7.376 7.962 -11.617 1.00 52.04 C ATOM 1106 CG LYS A 738 -7.804 9.014 -10.609 1.00 54.06 C ATOM 1107 CD LYS A 738 -7.412 10.414 -11.052 1.00 58.80 C ATOM 1108 CE LYS A 738 -5.907 10.596 -11.037 1.00 65.45 C ATOM 1109 NZ LYS A 738 -5.520 12.011 -11.296 1.00 70.75 N ATOM 1110 HZ1 LYS A 738 -5.876 12.301 -12.229 1.00 0.00 H ATOM 1111 HZ2 LYS A 738 -5.931 12.622 -10.561 1.00 0.00 H ATOM 1112 HZ3 LYS A 738 -4.484 12.095 -11.278 1.00 0.00 H ATOM 1113 H LYS A 738 -6.406 6.654 -9.615 1.00 0.00 H ATOM 1114 N MET A 739 -6.966 4.356 -11.969 1.00 60.57 N ATOM 1115 CA MET A 739 -6.621 3.345 -12.965 1.00 60.59 C ATOM 1116 C MET A 739 -7.668 2.232 -12.977 1.00 66.94 C ATOM 1117 O MET A 739 -7.353 1.059 -12.776 1.00 71.65 O ATOM 1118 CB MET A 739 -5.217 2.776 -12.702 1.00 50.87 C ATOM 1119 CG MET A 739 -4.086 3.765 -13.008 1.00 42.43 C ATOM 1120 SD MET A 739 -2.381 3.186 -12.742 1.00 42.88 S ATOM 1121 CE MET A 739 -1.488 4.647 -13.230 1.00 31.59 C ATOM 1122 H MET A 739 -6.874 4.129 -10.958 1.00 0.00 H TER 1123 MET A 739 HETATM 1124 O HOH 1 22.836 0.277 0.845 1.00 46.82 O HETATM 1125 O HOH 2 7.016 -5.410 -15.455 1.00 47.56 O HETATM 1126 O HOH 3 16.192 -6.884 -10.884 1.00 57.17 O HETATM 1127 O HOH 4 18.443 6.387 -1.683 1.00 28.32 O HETATM 1128 O HOH 5 -0.026 -7.739 -4.666 1.00 44.26 O HETATM 1129 O HOH 6 2.955 10.044 -9.545 1.00 42.38 O HETATM 1130 O HOH 7 -6.729 0.197 0.896 1.00 39.09 O HETATM 1131 O HOH 8 22.509 -6.542 3.094 1.00 46.21 O HETATM 1132 O HOH 9 1.664 -11.214 -5.142 1.00 42.08 O HETATM 1133 O HOH 10 12.005 -10.233 3.951 1.00 43.76 O HETATM 1134 O HOH 11 1.325 4.760 4.839 1.00 46.41 O HETATM 1135 O HOH 12 15.031 -6.880 3.849 1.00 30.69 O HETATM 1136 O HOH 13 6.622 9.495 15.626 1.00 34.88 O HETATM 1137 O HOH 14 14.049 2.422 -7.320 1.00 39.96 O HETATM 1138 O HOH 15 15.219 -2.028 10.321 1.00 29.07 O HETATM 1139 O HOH 16 4.582 8.452 -8.085 1.00 28.25 O HETATM 1140 O HOH 17 5.212 4.563 6.620 1.00 43.31 O HETATM 1141 O HOH 18 8.961 -7.876 -20.562 1.00 49.42 O HETATM 1142 O HOH 19 19.193 10.491 10.789 1.00 40.35 O HETATM 1143 O HOH 20 18.024 -0.580 -3.658 1.00 36.36 O HETATM 1144 O HOH 21 18.374 -1.541 5.193 1.00 28.56 O HETATM 1145 O HOH 22 13.935 -4.498 7.689 1.00 30.66 O HETATM 1146 O HOH 23 15.614 7.229 -6.545 1.00 35.86 O HETATM 1147 O HOH 24 13.912 12.474 12.200 1.00 39.65 O HETATM 1148 O HOH 25 17.637 4.129 -0.888 1.00 32.21 O HETATM 1149 O HOH 26 21.975 -2.937 3.812 1.00 41.32 O HETATM 1150 O HOH 27 18.322 12.485 4.786 1.00 50.71 O HETATM 1151 O HOH 28 18.839 8.314 4.505 1.00 39.47 O HETATM 1152 O HOH 29 15.886 -0.678 -5.298 1.00 42.25 O HETATM 1153 O HOH 30 14.587 10.245 18.054 1.00 40.34 O HETATM 1154 O HOH 31 24.543 3.718 2.919 1.00 33.59 O HETATM 1155 O HOH 32 7.587 -4.000 11.963 1.00 37.06 O HETATM 1156 O HOH 33 11.283 11.910 -4.193 1.00 39.01 O HETATM 1157 O HOH 34 -0.624 -3.954 -13.768 1.00 36.81 O HETATM 1158 O HOH 35 4.337 -1.929 9.060 1.00 34.22 O HETATM 1159 O HOH 36 6.266 12.237 12.179 1.00 44.72 O HETATM 1160 O HOH 37 3.818 9.829 -14.011 1.00 46.90 O HETATM 1161 O HOH 38 15.255 9.334 5.957 1.00 33.74 O HETATM 1162 O HOH 39 13.732 10.726 4.281 1.00 40.50 O HETATM 1163 O HOH 40 11.919 2.056 -9.414 1.00 39.13 O HETATM 1164 O HOH 41 18.556 10.759 -2.789 1.00 42.83 O HETATM 1165 O HOH 42 -2.705 4.157 3.719 1.00 51.37 O HETATM 1166 O HOH 43 3.245 -2.778 6.847 1.00 29.48 O HETATM 1167 O HOH 44 15.490 -1.556 5.540 1.00 28.85 O HETATM 1168 O HOH 45 8.631 -7.498 10.672 1.00 37.34 O HETATM 1169 O HOH 46 3.537 12.846 5.570 1.00 47.76 O HETATM 1170 O HOH 47 7.901 14.388 0.507 1.00 38.47 O HETATM 1171 O HOH 48 1.812 5.232 -15.286 1.00 33.24 O HETATM 1172 O HOH 49 9.021 8.621 17.254 1.00 36.09 O HETATM 1173 O HOH 50 15.335 15.651 5.304 1.00 55.32 O HETATM 1174 O HOH 51 -1.068 -7.122 -16.831 1.00 44.47 O HETATM 1175 O HOH 52 4.270 10.867 -5.622 1.00 33.00 O HETATM 1176 O HOH 53 6.084 -8.974 0.324 1.00 44.46 O HETATM 1177 O HOH 54 17.559 -8.111 6.664 1.00 33.30 O HETATM 1178 O HOH 55 19.620 0.848 18.905 1.00 34.61 O HETATM 1179 O HOH 56 14.102 -1.491 7.911 1.00 26.96 O HETATM 1180 O HOH 57 8.793 -9.749 -0.096 1.00 39.00 O HETATM 1181 O HOH 58 -4.419 -0.585 -6.539 1.00 37.83 O HETATM 1182 O HOH 59 20.936 -0.610 2.897 1.00 38.15 O HETATM 1183 O HOH 60 2.807 -6.629 0.995 1.00 44.98 O HETATM 1184 O HOH 61 21.921 4.597 13.979 1.00 37.97 O HETATM 1185 O HOH 62 11.274 -7.780 -14.944 1.00 44.69 O HETATM 1186 O HOH 63 15.958 -4.270 19.472 1.00 48.17 O HETATM 1187 O HOH 64 4.975 4.823 12.671 1.00 31.86 O HETATM 1188 O HOH 65 15.023 4.236 22.848 1.00 31.46 O HETATM 1189 O HOH 66 16.056 -5.797 6.032 1.00 33.56 O HETATM 1190 O HOH 67 1.993 -12.579 -9.520 1.00 42.95 O HETATM 1191 O HOH 68 4.611 -5.746 -9.434 1.00 34.49 O HETATM 1192 O HOH 69 21.053 8.721 -2.048 1.00 51.71 O HETATM 1193 O HOH 70 6.967 -7.998 -14.668 1.00 47.54 O HETATM 1194 O HOH 71 5.439 -5.720 -21.407 1.00 52.06 O HETATM 1195 O HOH 72 10.665 -1.638 20.167 1.00 41.67 O HETATM 1196 O HOH 73 1.311 -5.738 -20.301 1.00 43.55 O HETATM 1197 O HOH 74 8.317 -7.771 13.488 1.00 38.52 O HETATM 1198 O HOH 75 23.359 6.272 15.950 1.00 38.44 O HETATM 1199 O HOH 76 -4.614 1.489 2.328 1.00 44.66 O HETATM 1200 O HOH 77 -2.699 -0.407 -15.175 1.00 33.45 O HETATM 1201 O HOH 78 11.482 10.057 24.148 1.00 43.77 O HETATM 1202 O HOH 79 17.533 10.271 5.975 1.00 47.63 O HETATM 1203 O HOH 80 -4.892 -0.817 -3.401 1.00 35.03 O HETATM 1204 O HOH 81 4.876 10.965 9.779 1.00 46.18 O HETATM 1205 O HOH 82 17.181 6.332 22.995 1.00 42.81 O HETATM 1206 O HOH 83 15.692 14.025 -0.816 1.00 52.10 O HETATM 1207 O HOH 84 26.046 -2.367 6.026 1.00 45.73 O HETATM 1208 O HOH 85 4.550 12.594 -8.899 1.00 52.83 O HETATM 1209 O HOH 86 0.962 -1.204 6.572 1.00 36.80 O HETATM 1210 O HOH 87 -7.196 0.839 -1.215 1.00 51.43 O HETATM 1211 O HOH 88 20.614 12.246 12.426 1.00 54.30 O HETATM 1212 O HOH 89 18.508 5.850 -3.924 1.00 44.19 O HETATM 1213 O HOH 90 24.789 1.359 1.121 1.00 53.29 O HETATM 1214 O HOH 91 2.711 11.333 -7.417 1.00 50.21 O HETATM 1215 O HOH 92 8.308 -2.842 -13.651 1.00 38.42 O HETATM 1216 O HOH 93 3.920 6.864 -13.799 1.00 39.19 O HETATM 1217 O HOH 94 8.759 13.188 -5.066 1.00 41.71 O HETATM 1218 O HOH 95 17.703 7.807 -5.490 1.00 41.98 O HETATM 1219 O HOH 96 0.566 4.778 7.149 1.00 41.80 O HETATM 1220 O HOH 97 5.886 12.983 -4.803 1.00 42.93 O HETATM 1221 O HOH 98 -4.952 -0.324 -8.993 1.00 55.10 O HETATM 1222 O HOH 99 25.361 -1.139 1.277 1.00 64.78 O HETATM 1223 O HOH 100 2.291 8.176 9.885 1.00 46.80 O HETATM 1224 O HOH 101 15.982 8.477 23.717 1.00 46.53 O HETATM 1225 O HOH 102 15.120 -9.575 3.255 1.00 46.75 O HETATM 1226 O HOH 103 5.791 -8.115 10.137 1.00 39.82 O HETATM 1227 O HOH 104 13.651 10.891 19.984 1.00 53.00 O HETATM 1228 O HOH 105 3.331 -6.373 -22.002 1.00 45.69 O HETATM 1229 O HOH 106 28.047 0.096 5.525 1.00 45.39 O HETATM 1230 O HOH 107 -0.933 -5.118 -20.816 1.00 47.94 O HETATM 1231 O HOH 108 24.592 -3.121 3.623 1.00 47.58 O HETATM 1232 O HOH 109 2.006 -13.079 -7.122 1.00 42.34 O HETATM 1233 O HOH 110 -4.626 -1.772 -10.723 1.00 56.33 O HETATM 1234 O HOH 111 13.165 10.981 15.710 1.00 39.68 O HETATM 1235 O HOH 112 -3.400 -2.757 -13.334 1.00 52.12 O HETATM 1236 O HOH 113 15.530 1.860 23.573 1.00 39.13 O HETATM 1237 O HOH 114 8.040 -1.278 18.935 1.00 37.37 O HETATM 1238 O HOH 115 16.980 -10.468 5.126 1.00 38.40 O HETATM 1239 O HOH 116 19.331 5.119 23.935 1.00 45.58 O HETATM 1240 O HOH 117 3.688 -6.341 -24.870 1.00 55.23 O HETATM 1241 C4 UNN A 118 20.580 -0.487 9.097 1.00 0.07 C HETATM 1242 C5 UNN A 118 21.351 -0.081 8.016 1.00 -0.05 C HETATM 1243 C6 UNN A 118 22.677 -0.479 7.885 1.00 0.03 C HETATM 1244 C11 UNN A 118 23.239 -1.321 8.850 1.00 0.06 C HETATM 1245 N3 UNN A 118 24.580 -1.769 8.719 1.00 -0.20 N HETATM 1246 S UNN A 118 25.674 -1.667 9.930 1.00 0.08 S HETATM 1247 C12 UNN A 118 25.925 0.044 10.253 1.00 0.10 C HETATM 1248 C13 UNN A 118 26.340 0.885 9.238 1.00 -0.05 C HETATM 1249 C14 UNN A 118 26.502 2.231 9.503 1.00 -0.07 C HETATM 1250 C15 UNN A 118 26.261 2.756 10.771 1.00 -0.04 C HETATM 1251 C16 UNN A 118 26.354 4.244 10.999 1.00 -0.02 C HETATM 1252 C17 UNN A 118 26.436 4.614 12.464 1.00 -0.04 C HETATM 1253 C18 UNN A 118 25.353 3.884 13.237 1.00 -0.04 C HETATM 1254 C19 UNN A 118 25.651 2.400 13.208 1.00 -0.02 C HETATM 1255 C20 UNN A 118 25.869 1.889 11.806 1.00 -0.04 C HETATM 1256 C21 UNN A 118 25.697 0.535 11.527 1.00 -0.04 C HETATM 1257 H27 UNN A 118 25.382 -0.140 12.315 1.00 0.06 H HETATM 1258 H25 UNN A 118 24.803 1.860 13.654 1.00 0.04 H HETATM 1259 H26 UNN A 118 26.559 2.209 13.799 1.00 0.04 H HETATM 1260 H23 UNN A 118 24.375 4.074 12.772 1.00 0.03 H HETATM 1261 H24 UNN A 118 25.339 4.238 14.278 1.00 0.03 H HETATM 1262 H21 UNN A 118 26.296 5.699 12.575 1.00 0.03 H HETATM 1263 H22 UNN A 118 27.422 4.329 12.859 1.00 0.03 H HETATM 1264 H19 UNN A 118 25.462 4.721 10.566 1.00 0.04 H HETATM 1265 H20 UNN A 118 27.254 4.621 10.492 1.00 0.04 H HETATM 1266 H1 UNN A 118 26.824 2.893 8.707 1.00 0.05 H HETATM 1267 H11 UNN A 118 26.536 0.493 8.246 1.00 0.06 H HETATM 1268 O3 UNN A 118 26.883 -2.196 9.378 1.00 -0.15 O HETATM 1269 O4 UNN A 118 25.113 -2.262 11.104 1.00 -0.15 O HETATM 1270 H15 UNN A 118 24.868 -2.165 7.847 1.00 0.21 H HETATM 1271 C22 UNN A 118 22.471 -1.731 9.936 1.00 -0.04 C HETATM 1272 C23 UNN A 118 21.149 -1.323 10.079 1.00 0.07 C HETATM 1273 N UNN A 118 20.367 -1.733 11.177 1.00 -0.23 N HETATM 1274 C UNN A 118 20.974 -2.514 12.251 1.00 0.04 C HETATM 1275 H16 UNN A 118 20.215 -2.740 13.014 1.00 0.05 H HETATM 1276 H17 UNN A 118 21.792 -1.937 12.707 1.00 0.05 H HETATM 1277 H18 UNN A 118 21.372 -3.454 11.841 1.00 0.05 H HETATM 1278 C1 UNN A 118 19.043 -1.382 11.323 1.00 0.31 C HETATM 1279 O UNN A 118 18.347 -1.785 12.246 1.00 -0.35 O HETATM 1280 C2 UNN A 118 18.434 -0.477 10.267 1.00 0.31 C HETATM 1281 N1 UNN A 118 19.239 -0.076 9.227 1.00 -0.23 N HETATM 1282 C3 UNN A 118 18.656 0.824 8.235 1.00 0.04 C HETATM 1283 H12 UNN A 118 19.408 1.060 7.467 1.00 0.05 H HETATM 1284 H13 UNN A 118 18.332 1.752 8.728 1.00 0.05 H HETATM 1285 H14 UNN A 118 17.790 0.338 7.763 1.00 0.05 H HETATM 1286 O1 UNN A 118 17.258 -0.143 10.360 1.00 -0.35 O HETATM 1287 H28 UNN A 118 22.911 -2.380 10.684 1.00 0.03 H HETATM 1288 N2 UNN A 118 23.474 -0.029 6.816 1.00 -0.32 N HETATM 1289 C7 UNN A 118 23.812 1.393 6.898 1.00 0.04 C HETATM 1290 C8 UNN A 118 24.741 1.763 5.773 1.00 0.07 C HETATM 1291 O2 UNN A 118 24.166 1.469 4.508 1.00 -0.38 O HETATM 1292 C9 UNN A 118 23.897 0.077 4.420 1.00 0.07 C HETATM 1293 C10 UNN A 118 22.941 -0.372 5.496 1.00 0.04 C HETATM 1294 H9 UNN A 118 22.805 -1.462 5.430 1.00 0.05 H HETATM 1295 H10 UNN A 118 21.972 0.128 5.354 1.00 0.05 H HETATM 1296 H7 UNN A 118 23.455 -0.140 3.436 1.00 0.06 H HETATM 1297 H8 UNN A 118 24.841 -0.477 4.528 1.00 0.06 H HETATM 1298 H5 UNN A 118 25.677 1.196 5.881 1.00 0.06 H HETATM 1299 H6 UNN A 118 24.956 2.840 5.826 1.00 0.06 H HETATM 1300 H3 UNN A 118 22.892 1.992 6.824 1.00 0.05 H HETATM 1301 H4 UNN A 118 24.305 1.596 7.860 1.00 0.05 H HETATM 1302 H2 UNN A 118 20.911 0.559 7.260 1.00 0.03 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1241 1242 1272 1281 CONECT 1242 1241 1243 1302 CONECT 1243 1242 1244 1288 CONECT 1244 1243 1245 1271 CONECT 1245 1244 1246 1270 CONECT 1246 1245 1247 1268 1269 CONECT 1247 1246 1248 1256 CONECT 1248 1247 1249 1267 CONECT 1249 1248 1250 1266 CONECT 1250 1249 1251 1255 CONECT 1251 1250 1252 1264 1265 CONECT 1252 1251 1253 1262 1263 CONECT 1253 1252 1254 1260 1261 CONECT 1254 1253 1255 1258 1259 CONECT 1255 1250 1254 1256 CONECT 1256 1247 1255 1257 CONECT 1257 1256 CONECT 1258 1254 CONECT 1259 1254 CONECT 1260 1253 CONECT 1261 1253 CONECT 1262 1252 CONECT 1263 1252 CONECT 1264 1251 CONECT 1265 1251 CONECT 1266 1249 CONECT 1267 1248 CONECT 1268 1246 CONECT 1269 1246 CONECT 1270 1245 CONECT 1271 1244 1272 1287 CONECT 1272 1241 1271 1273 CONECT 1273 1272 1274 1278 CONECT 1274 1273 1275 1276 1277 CONECT 1275 1274 CONECT 1276 1274 CONECT 1277 1274 CONECT 1278 1273 1279 1280 CONECT 1279 1278 CONECT 1280 1278 1281 1286 CONECT 1281 1241 1280 1282 CONECT 1282 1281 1283 1284 1285 CONECT 1283 1282 CONECT 1284 1282 CONECT 1285 1282 CONECT 1286 1280 CONECT 1287 1271 CONECT 1288 1243 1289 1293 CONECT 1289 1288 1290 1300 1301 CONECT 1290 1289 1291 1298 1299 CONECT 1291 1290 1292 CONECT 1292 1291 1293 1296 1297 CONECT 1293 1288 1292 1294 1295 CONECT 1294 1293 CONECT 1295 1293 CONECT 1296 1292 CONECT 1297 1292 CONECT 1298 1290 CONECT 1299 1290 CONECT 1300 1289 CONECT 1301 1289 CONECT 1302 1242 MASTER 0 0 0 0 0 0 0 0 1301 1 66 9 END
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Related entries of code: 5o4s
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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118aa, >4UYE_1|Chains... *
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116aa, >5C7N_1|Chain... at 97%
5c85
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116aa, >5C85_1|Chain... at 97%
5c87
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116aa, >5C87_1|Chain... at 97%
5d7x
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116aa, >5D7X_1|Chain... at 97%
5dy7
RCSB PDB
PDBbind
116aa, >5DY7_1|Chain... at 97%
5dya
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PDBbind
116aa, >5DYA_1|Chain... at 97%
5e3d
RCSB PDB
PDBbind
116aa, >5E3D_1|Chain... at 97%
5e3g
RCSB PDB
PDBbind
116aa, >5E3G_1|Chain... at 97%
5em3
RCSB PDB
PDBbind
116aa, >5EM3_1|Chain... at 97%
5epr
RCSB PDB
PDBbind
116aa, >5EPR_1|Chain... at 97%
5eps
RCSB PDB
PDBbind
116aa, >5EPS_1|Chain... at 97%
5eq1
RCSB PDB
PDBbind
116aa, >5EQ1_1|Chain... at 97%
5etb
RCSB PDB
PDBbind
116aa, >5ETB_1|Chain... at 97%
5eva
RCSB PDB
PDBbind
116aa, >5EVA_1|Chain... at 97%
5ewd
RCSB PDB
PDBbind
116aa, >5EWD_1|Chain... at 97%
5ewh
RCSB PDB
PDBbind
116aa, >5EWH_1|Chain... at 97%
5mwg
RCSB PDB
PDBbind
116aa, >5MWG_1|Chains... at 97%
5mwh
RCSB PDB
PDBbind
116aa, >5MWH_1|Chains... at 97%
5mwz
RCSB PDB
PDBbind
116aa, >5MWZ_1|Chain... at 97%
5myg
RCSB PDB
PDBbind
116aa, >5MYG_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
5o4s
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Peregrin
Ligand Name
9KW
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
IC50=3.4uM
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
2
8
N
4
O
5
S
Molecular Weight
484.568
Exact Mass
484.178
No. of atoms
62
No. of bonds
66
Polar Surface Area
111.02
LOGP Value
2.46 (
Computed with XLOGP3
)
2.97 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 5
Canonical SMILES
Cn1c2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)c(cc2n(c(=O)c1=O)C)N1CCOCC1
InChI String
InChI=1S/C24H28N4O5S/c1-26-21-14-19(25-34(31,32)18-8-7-16-5-3-4-6-17(16)13-18)20(28-9-11-33-12-10-28)15-22(21)27(2)24(30)23(26)29/h7-8,13-15,25H,3-6,9-12H2,1-2H3
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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